#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mff s LYS 3 N 0.00 1.54 -0.15 2.12 -2.85 -1.26 -5.03 119.74 114.10 3mff s LYS 3 Ca 0.00 -1.37 -0.07 0.00 -1.00 0.00 0.00 55.97 53.53 3mff s LYS 3 Cb 0.00 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 3mff s LYS 3 CO 0.00 -0.62 0.08 0.08 0.10 0.00 0.00 175.35 174.98 3mff s VAL 4 N -3.91 4.94 0.14 1.79 1.01 -1.26 -4.02 120.40 119.09 3mff s VAL 4 Ca 0.26 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3mff s VAL 4 Cb 0.01 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3mff s VAL 4 CO 0.11 0.52 -0.08 0.42 0.00 0.00 0.00 175.10 176.08 3mff s THR 5 N -0.19 3.41 -0.01 3.92 -4.23 0.47 -4.24 115.64 114.77 3mff s THR 5 Ca 0.08 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3mff s THR 5 Cb -0.12 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.08 3mff s THR 5 CO 0.01 0.00 -0.04 -1.10 -0.54 0.00 0.00 174.62 172.96 3mff s GLN 6 N -2.55 0.42 -0.01 3.99 -0.21 -1.26 -0.91 119.66 119.13 3mff s GLN 6 Ca 0.24 -0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.53 3mff s GLN 6 Cb -0.10 -0.45 -0.00 0.00 1.00 0.00 0.00 33.01 33.46 3mff s GLN 6 CO 0.15 0.03 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.66 3mff s MET 7 N 0.25 0.51 0.93 2.91 -1.94 -0.51 -4.50 119.30 116.94 3mff s MET 7 Ca -0.02 -0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 53.64 3mff s MET 7 Cb -0.06 -0.50 0.20 0.00 2.01 0.00 0.00 34.83 36.49 3mff s MET 7 CO -0.00 0.11 1.26 -1.25 -0.01 0.00 0.00 175.02 175.12 3mff s PRO 8 N -0.03 0.68 0.02 2.03 0.04 -1.26 -1.16 135.00 135.31 3mff s PRO 8 Ca 0.01 -0.73 0.17 0.00 0.04 0.00 0.00 61.00 60.49 3mff s PRO 8 Cb -0.04 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 3mff s PRO 8 CO -0.00 -2.31 0.70 0.54 0.04 0.00 0.00 177.00 175.97 3mff n ARG 9 N -3.59 0.63 -4.00 4.56 5.12 -1.26 -4.57 116.66 113.54 3mff n ARG 9 Ca 0.17 0.17 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 3mff n ARG 9 Cb 0.60 -1.75 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 3mff n ARG 9 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3mff s TYR 10 N -2.89 0.24 -0.12 -1.55 2.02 -1.26 -1.32 117.35 112.46 3mff s TYR 10 Ca -0.04 -0.08 -0.08 0.00 -0.37 0.00 0.00 57.07 56.49 3mff s TYR 10 Cb 0.09 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.54 3mff s TYR 10 CO 0.82 -0.02 0.30 -0.51 -1.57 0.00 0.00 175.55 174.58 3mff s LEU 11 N -0.19 0.48 -0.12 -1.29 1.43 -0.28 -4.95 118.68 113.76 3mff s LEU 11 Ca -0.00 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3mff s LEU 11 Cb -0.02 0.98 0.03 0.00 0.03 0.00 0.00 46.19 47.22 3mff s LEU 11 CO -0.00 -0.15 -0.06 -0.51 0.23 0.00 0.00 176.35 175.86 3mff s ILE 12 N 0.85 0.99 0.11 -0.59 1.10 -1.26 -1.08 121.20 121.32 3mff s ILE 12 Ca -0.06 -0.35 0.05 0.00 -0.51 0.00 0.00 60.65 59.79 3mff s ILE 12 Cb -0.07 -1.07 -0.04 0.00 0.15 0.00 0.00 42.46 41.44 3mff s ILE 12 CO -0.06 0.29 -0.13 -0.54 -2.11 0.00 0.00 174.94 172.39 3mff s LYS 13 N 1.71 0.96 0.08 3.50 -0.14 -0.23 -4.97 119.74 120.66 3mff s LYS 13 Ca 0.04 -1.17 -0.19 0.00 -1.36 0.00 0.00 55.97 53.29 3mff s LYS 13 Cb -0.13 -0.83 -0.07 0.00 -1.68 0.00 0.00 37.83 35.12 3mff s LYS 13 CO -0.08 0.16 0.57 0.50 -0.76 0.00 0.00 175.35 175.74 3mff s ARG 14 N -2.52 4.18 0.35 1.68 3.52 -1.26 -1.14 118.95 123.76 3mff s ARG 14 Ca 0.06 0.72 -0.25 0.00 -0.13 0.00 0.00 55.73 56.13 3mff s ARG 14 Cb -0.05 -3.21 -0.13 0.00 -1.56 0.00 0.00 34.95 30.00 3mff s ARG 14 CO 0.02 0.62 0.79 0.00 -0.81 0.00 0.00 175.30 175.93 3mff n MET 15 N 1.62 0.92 0.00 5.12 0.00 0.07 -2.06 117.12 122.79 3mff n MET 15 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.93 3mff n MET 15 Cb 0.51 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.07 3mff n MET 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3mff n GLY 16 N 1.50 3.21 3.81 3.17 0.00 0.74 -4.91 105.19 112.71 3mff n GLY 16 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3mff n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mff s GLU 17 N -0.48 3.79 0.10 1.61 2.02 -0.87 -4.29 118.70 120.58 3mff s GLU 17 Ca 0.00 1.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 3mff s GLU 17 Cb 0.00 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 32.06 3mff s GLU 17 CO 0.00 -0.42 1.21 1.21 0.02 0.00 0.00 175.26 177.28 3mff s ASN 18 N -2.37 7.07 -0.02 -0.19 3.84 -1.24 -1.53 114.94 120.50 3mff s ASN 18 Ca 0.64 2.09 0.04 0.00 0.21 0.00 0.00 52.86 55.85 3mff s ASN 18 Cb -0.14 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.97 3mff s ASN 18 CO 0.24 -0.45 -0.15 0.54 -2.79 0.00 0.00 177.10 174.50 3mff s VAL 19 N 0.74 1.20 -0.11 -5.21 0.11 0.47 -4.99 120.40 112.61 3mff s VAL 19 Ca 0.57 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 3mff s VAL 19 Cb -0.31 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3mff s VAL 19 CO 0.31 0.35 -0.14 -0.22 -3.33 0.00 0.00 175.10 172.07 3mff s LEU 20 N -0.15 1.64 -0.08 2.54 2.96 -1.26 -0.78 118.68 123.55 3mff s LEU 20 Ca 0.02 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3mff s LEU 20 Cb -0.08 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 3mff s LEU 20 CO 0.00 -0.01 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.09 3mff s LEU 21 N 1.16 2.55 0.07 -0.68 1.02 0.32 -4.76 118.68 118.35 3mff s LEU 21 Ca -0.03 -0.33 0.09 0.00 0.02 0.00 0.00 54.13 53.88 3mff s LEU 21 Cb -0.14 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 3mff s LEU 21 CO -0.04 0.25 -0.23 -1.61 0.02 0.00 0.00 176.35 174.75 3mff s GLU 22 N -0.20 1.80 -0.00 1.70 2.02 -0.31 -0.79 118.70 122.92 3mff s GLU 22 Ca -0.01 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3mff s GLU 22 Cb -0.13 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3mff s GLU 22 CO 0.03 0.50 -0.00 0.00 0.02 0.00 0.00 175.26 175.81 3mff s GLY 24 N 0.12 1.42 -0.29 0.00 0.00 -0.09 -2.27 107.32 106.20 3mff s GLY 24 Ca -0.01 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.87 3mff s GLY 24 CO -0.00 -1.65 0.96 1.62 0.00 0.00 0.00 173.10 174.03 3mff s GLN 25 N -3.82 0.36 -0.09 2.90 -0.44 -0.72 -0.39 119.66 117.45 3mff s GLN 25 Ca 0.25 0.73 0.14 0.00 -2.50 0.00 0.00 55.36 53.98 3mff s GLN 25 Cb 0.05 0.24 0.43 0.00 -1.64 0.00 0.00 33.01 32.09 3mff s GLN 25 CO 0.06 -0.09 1.35 -0.25 0.50 0.00 0.00 175.29 176.86 3mff n ASP 26 N 4.26 3.46 -0.54 6.67 8.00 -1.26 -4.51 116.55 132.63 3mff n ASP 26 Ca -0.15 -2.50 0.07 0.00 0.71 0.00 0.00 54.79 52.92 3mff n ASP 26 Cb 0.55 -0.39 0.21 0.00 -0.02 0.00 0.00 41.12 41.47 3mff n ASP 26 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3mff n MET 27 N 0.05 1.69 -4.06 -1.24 2.81 -1.26 -4.92 117.12 110.18 3mff n MET 27 Ca 0.17 -1.07 -0.32 0.00 -1.81 0.00 0.00 57.70 54.67 3mff n MET 27 Cb 0.67 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 31.89 3mff n MET 27 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3mff n SER 28 N 0.34 -3.28 -4.73 7.83 3.41 -1.26 -4.95 113.62 110.99 3mff n SER 28 Ca 0.12 -0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 3mff n SER 28 Cb 0.27 -3.23 -0.03 0.00 -0.26 0.00 0.00 64.21 60.96 3mff n SER 28 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mff s HIS 29 N -3.41 3.51 0.11 7.33 3.76 -1.26 -4.96 115.29 120.37 3mff s HIS 29 Ca 0.58 1.46 -0.09 0.00 -0.15 0.00 0.00 55.06 56.86 3mff s HIS 29 Cb -0.30 -3.35 -0.14 0.00 1.11 0.00 0.00 32.58 29.89 3mff s HIS 29 CO 0.89 -0.93 1.27 0.93 -0.85 0.00 0.00 174.74 176.05 3mff h GLU 30 N 5.87 0.59 -5.60 1.40 3.07 -1.89 -3.45 114.58 114.56 3mff h GLU 30 Ca -0.43 -0.59 -0.65 0.00 -0.50 0.00 0.00 59.36 57.19 3mff h GLU 30 Cb 1.21 0.16 -0.13 0.00 -0.84 0.00 0.00 28.75 29.15 3mff h GLU 30 CO 0.76 1.21 -0.56 0.99 -1.40 0.00 0.00 179.01 180.01 3mff s THR 31 N -3.39 4.86 0.09 1.13 2.01 -1.08 -3.91 115.64 115.35 3mff s THR 31 Ca -0.08 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.92 3mff s THR 31 Cb 0.08 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3mff s THR 31 CO 0.89 0.55 -0.08 -0.04 -0.69 0.00 0.00 174.62 175.25 3mff s MET 32 N -0.43 0.81 0.03 4.92 -1.94 0.60 -1.55 119.30 121.74 3mff s MET 32 Ca 0.10 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 3mff s MET 32 Cb -0.12 -0.37 -0.02 0.00 2.01 0.00 0.00 34.83 36.33 3mff s MET 32 CO 0.02 0.03 -0.05 0.71 -0.01 0.00 0.00 175.02 175.72 3mff s TYR 33 N -2.84 0.45 -0.10 -0.03 1.51 -0.31 0.83 117.35 116.86 3mff s TYR 33 Ca 0.07 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3mff s TYR 33 Cb -0.00 -0.29 0.01 0.00 -0.11 0.00 0.00 41.96 41.57 3mff s TYR 33 CO -0.02 -0.12 -0.19 -1.58 -1.11 0.00 0.00 175.55 172.53 3mff s TRP 34 N -1.31 2.18 0.19 2.71 0.52 -0.46 -1.56 118.94 121.21 3mff s TRP 34 Ca -0.12 -0.95 0.11 0.00 0.02 0.00 0.00 56.10 55.16 3mff s TRP 34 Cb -0.09 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 3mff s TRP 34 CO -0.00 -0.43 -0.22 0.71 0.02 0.00 0.00 176.95 177.02 3mff s TYR 35 N 0.66 2.19 0.14 -1.98 2.02 0.50 -0.42 117.35 120.45 3mff s TYR 35 Ca -0.13 -0.38 0.10 0.00 -0.37 0.00 0.00 57.07 56.29 3mff s TYR 35 Cb -0.16 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 3mff s TYR 35 CO 0.03 0.47 -0.21 -0.98 -1.57 0.00 0.00 175.55 173.29 3mff s ARG 36 N -2.74 1.64 -0.18 -0.62 1.70 -0.02 -1.23 118.95 117.50 3mff s ARG 36 Ca 0.20 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 3mff s ARG 36 Cb -0.07 -2.00 0.04 0.00 -0.57 0.00 0.00 34.95 32.34 3mff s ARG 36 CO 0.09 0.45 -0.10 -1.14 -1.08 0.00 0.00 175.30 173.53 3mff s GLN 37 N -2.28 1.92 0.08 3.89 0.74 0.42 -0.61 119.66 123.81 3mff s GLN 37 Ca 0.18 -0.71 0.09 0.00 0.05 0.00 0.00 55.36 54.96 3mff s GLN 37 Cb -0.10 -2.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 3mff s GLN 37 CO 0.09 -0.40 -0.21 -0.51 -0.55 0.00 0.00 175.29 173.72 3mff s ASP 38 N 1.47 3.66 -0.10 6.67 1.01 -1.24 -3.24 116.67 124.91 3mff s ASP 38 Ca 0.00 -0.54 -0.39 0.00 0.71 0.00 0.00 52.55 52.34 3mff s ASP 38 Cb -0.15 -0.49 -0.17 0.00 1.01 0.00 0.00 42.92 43.12 3mff s ASP 38 CO -0.08 0.22 1.51 -2.65 0.21 0.00 0.00 175.17 174.37 3mff n PRO 39 N 1.26 1.02 0.00 8.23 -0.02 -1.26 -2.23 135.00 141.99 3mff n PRO 39 Ca -0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3mff n PRO 39 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3mff n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mff n GLY 40 N 3.24 2.68 3.91 -1.23 0.00 -1.26 -4.94 105.19 107.59 3mff n GLY 40 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3mff n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mff s LEU 41 N 0.00 2.96 0.00 0.99 1.43 -0.95 -5.11 118.68 118.00 3mff s LEU 41 Ca 0.00 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3mff s LEU 41 Cb 0.00 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3mff s LEU 41 CO 0.00 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 175.82 3mff n GLY 42 N -2.86 0.53 3.63 -3.19 0.00 -1.26 -4.40 105.19 97.65 3mff n GLY 42 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3mff n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mff s LEU 43 N 0.00 4.08 -0.18 0.99 1.43 -1.26 -3.60 118.68 120.13 3mff s LEU 43 Ca 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3mff s LEU 43 Cb 0.00 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 3mff s LEU 43 CO 0.00 0.01 -0.07 -1.10 0.23 0.00 0.00 176.35 175.42 3mff s GLN 44 N 1.36 3.41 0.01 1.70 -0.21 0.22 -4.94 119.66 121.21 3mff s GLN 44 Ca 0.08 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.52 3mff s GLN 44 Cb -0.15 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 3mff s GLN 44 CO 0.07 -0.02 1.08 -1.17 -2.12 0.00 0.00 175.29 173.14 3mff s LEU 45 N 0.99 4.35 -0.25 2.90 2.96 -1.26 -0.84 118.68 127.52 3mff s LEU 45 Ca -0.00 1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 55.54 3mff s LEU 45 Cb -0.15 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3mff s LEU 45 CO -0.00 -0.38 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.00 3mff n ILE 46 N 4.04 1.52 -3.83 6.68 5.41 0.44 -0.59 119.36 133.03 3mff n ILE 46 Ca 0.08 -0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.46 3mff n ILE 46 Cb 0.49 -1.98 -0.11 0.00 -0.71 0.00 0.00 39.64 37.32 3mff n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3mff s TYR 47 N -2.53 -0.09 0.06 1.39 1.51 -1.21 -1.26 117.35 115.21 3mff s TYR 47 Ca -0.35 0.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.96 3mff s TYR 47 Cb 0.12 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.95 3mff s TYR 47 CO 0.49 -0.21 -0.10 -1.50 -1.11 0.00 0.00 175.55 173.12 3mff s ILE 48 N -0.69 3.37 -0.20 2.71 2.07 0.52 -1.35 121.20 127.63 3mff s ILE 48 Ca -0.08 -1.08 0.01 0.00 -1.41 0.00 0.00 60.65 58.09 3mff s ILE 48 Cb -0.05 -2.51 0.04 0.00 0.13 0.00 0.00 42.46 40.08 3mff s ILE 48 CO 0.01 0.25 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.65 3mff s SER 49 N -1.80 3.39 0.19 4.50 0.15 0.24 -0.18 113.70 120.18 3mff s SER 49 Ca 0.19 -0.90 0.23 0.00 0.70 0.00 0.00 55.95 56.17 3mff s SER 49 Cb -0.11 -1.19 0.08 0.00 -1.71 0.00 0.00 66.02 63.10 3mff s SER 49 CO 0.10 -0.16 1.12 1.88 1.20 0.00 0.00 173.24 177.38 3mff h TYR 50 N 7.99 0.00 -2.03 3.44 0.05 -1.64 0.17 116.97 124.95 3mff h TYR 50 Ca -0.26 0.00 0.22 0.00 0.05 0.00 0.00 58.73 58.74 3mff h TYR 50 Cb 1.10 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.73 3mff h TYR 50 CO 0.50 0.00 0.60 0.34 -1.05 0.00 0.00 178.16 178.55 3mff s ASP 51 N -5.11 -0.16 -0.16 3.88 3.68 -1.25 -4.39 116.67 113.16 3mff s ASP 51 Ca 0.01 -0.26 -0.39 0.00 2.13 0.00 0.00 52.55 54.04 3mff s ASP 51 Cb 0.10 0.36 -0.16 0.00 -1.45 0.00 0.00 42.92 41.78 3mff s ASP 51 CO 0.77 -0.66 1.63 0.52 0.13 0.00 0.00 175.17 177.56 3mff n VAL 52 N -0.43 0.23 -2.80 1.11 0.31 -1.26 -1.14 118.33 114.34 3mff n VAL 52 Ca -0.07 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.01 3mff n VAL 52 Cb 0.61 -1.14 0.02 0.00 -0.91 0.00 0.00 33.84 32.42 3mff n VAL 52 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3mff n ASP 53 N 4.59 -5.78 -3.29 4.52 8.00 -0.64 -4.93 116.55 119.02 3mff n ASP 53 Ca 0.24 -0.17 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 3mff n ASP 53 Cb 0.15 -4.73 -0.07 0.00 -0.02 0.00 0.00 41.12 36.45 3mff n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mff n SER 54 N -2.30 1.72 -4.79 -2.24 7.64 -0.29 -5.09 113.62 108.27 3mff n SER 54 Ca -0.15 -3.02 -0.36 0.00 1.01 0.00 0.00 58.87 56.34 3mff n SER 54 Cb 0.64 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 3mff n SER 54 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3mff s ASN 55 N -1.76 6.41 -0.05 6.43 0.02 -1.26 -1.98 114.94 122.76 3mff s ASN 55 Ca 0.37 0.49 0.06 0.00 -1.02 0.00 0.00 52.86 52.76 3mff s ASN 55 Cb 0.16 -2.13 -0.02 0.00 0.02 0.00 0.00 41.25 39.28 3mff s ASN 55 CO -0.07 0.25 -0.23 -0.55 0.02 0.00 0.00 177.10 176.52 3mff s SER 56 N -0.23 3.25 0.26 -1.22 0.15 0.74 -4.99 113.70 111.67 3mff s SER 56 Ca 0.15 -0.44 -0.31 0.00 0.70 0.00 0.00 55.95 56.05 3mff s SER 56 Cb -0.13 -0.71 -0.12 0.00 -1.71 0.00 0.00 66.02 63.35 3mff s SER 56 CO 0.04 0.28 1.59 -0.62 1.20 0.00 0.00 173.24 175.72 3mff n GLU 57 N 2.71 2.56 0.00 5.44 1.02 -1.26 -0.35 120.64 130.76 3mff n GLU 57 Ca -0.17 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3mff n GLU 57 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 3mff n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mff n GLY 58 N 2.60 1.11 0.11 0.62 0.00 -0.39 -4.73 105.19 104.50 3mff n GLY 58 Ca 0.11 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 3mff n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mff h ASP 59 N 0.00 0.22 -2.18 1.61 3.32 -1.06 -3.39 116.42 114.94 3mff h ASP 59 Ca 0.00 -0.20 -0.55 0.00 0.02 0.00 0.00 57.03 56.29 3mff h ASP 59 Cb 0.00 -0.07 -0.41 0.00 0.22 0.00 0.00 39.33 39.07 3mff h ASP 59 CO 0.00 1.06 -0.83 2.30 -1.72 0.00 0.00 179.24 180.05 3mff n ILE 60 N -3.57 1.91 0.35 0.35 -5.35 -0.81 -4.90 119.36 107.33 3mff n ILE 60 Ca -0.04 -5.21 0.14 0.00 -0.27 0.00 0.00 62.75 57.37 3mff n ILE 60 Cb 0.87 -1.07 0.58 0.00 -1.74 0.00 0.00 39.64 38.28 3mff n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3mff h PRO 61 N 3.06 0.00 0.00 6.28 0.13 -1.76 -3.43 132.00 136.28 3mff h PRO 61 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3mff h PRO 61 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3mff h PRO 61 CO 0.71 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.11 3mff n LYS 62 N -2.57 0.00 -2.85 0.86 5.02 -1.26 -1.50 118.16 115.86 3mff n LYS 62 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3mff n LYS 62 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.27 3mff n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mff n GLY 63 N 0.00 5.62 3.17 0.72 0.00 -1.26 -4.97 105.19 108.47 3mff n GLY 63 Ca 0.00 -2.64 -0.21 0.00 0.00 0.00 0.00 46.02 43.17 3mff n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mff s TYR 64 N -3.51 1.34 0.14 1.61 2.02 -0.56 -4.60 117.35 113.78 3mff s TYR 64 Ca 0.36 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 3mff s TYR 64 Cb 0.13 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3mff s TYR 64 CO -0.01 0.05 -0.10 0.50 -1.57 0.00 0.00 175.55 174.41 3mff s ARG 65 N -1.21 1.02 0.06 -0.62 3.52 -0.30 -4.99 118.95 116.43 3mff s ARG 65 Ca 0.02 -1.38 0.02 0.00 -0.13 0.00 0.00 55.73 54.27 3mff s ARG 65 Cb -0.08 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 3mff s ARG 65 CO 0.01 0.08 -0.08 0.08 -0.81 0.00 0.00 175.30 174.59 3mff s VAL 66 N -3.07 0.66 -0.08 7.11 1.01 -1.26 -0.71 120.40 124.05 3mff s VAL 66 Ca 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3mff s VAL 66 Cb 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3mff s VAL 66 CO 0.01 -0.49 -0.07 -0.55 0.00 0.00 0.00 175.10 173.99 3mff s SER 67 N -1.99 1.80 -0.36 3.32 0.15 -0.44 -4.99 113.70 111.20 3mff s SER 67 Ca -0.03 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.38 3mff s SER 67 Cb -0.06 -0.72 0.11 0.00 -1.71 0.00 0.00 66.02 63.64 3mff s SER 67 CO -0.01 -0.08 0.15 -0.60 1.20 0.00 0.00 173.24 173.91 3mff s ARG 68 N 1.35 0.94 -0.15 5.44 6.06 -1.26 -1.06 118.95 130.27 3mff s ARG 68 Ca -0.03 -1.45 0.13 0.00 -2.50 0.00 0.00 55.73 51.88 3mff s ARG 68 Cb -0.14 -2.13 -0.18 0.00 0.06 0.00 0.00 34.95 32.57 3mff s ARG 68 CO -0.03 -1.06 0.05 1.63 -2.50 0.00 0.00 175.30 173.39 3mff n LYS 69 N 4.32 1.58 -4.43 5.12 5.02 -1.26 -1.62 118.16 126.88 3mff n LYS 69 Ca 0.03 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 3mff n LYS 69 Cb 0.39 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 3mff n LYS 69 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mff s LYS 70 N -2.36 1.57 0.30 1.97 1.02 -1.26 -4.93 119.74 116.05 3mff s LYS 70 Ca -0.07 -1.68 0.03 0.00 0.02 0.00 0.00 55.97 54.27 3mff s LYS 70 Cb 0.04 -1.66 0.48 0.00 -0.52 0.00 0.00 37.83 36.18 3mff s LYS 70 CO 0.60 0.32 1.77 -0.09 -0.92 0.00 0.00 175.35 177.03 3mff h ARG 71 N 2.53 0.47 0.00 1.68 2.43 -1.93 -3.17 114.38 116.38 3mff h ARG 71 Ca -0.41 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3mff h ARG 71 Cb 1.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3mff h ARG 71 CO 0.58 0.64 0.00 -0.85 -1.51 0.00 0.00 179.97 178.83 3mff n GLU 72 N -4.17 0.05 -4.39 0.20 0.28 -1.26 -4.81 120.64 106.54 3mff n GLU 72 Ca 0.00 0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.84 3mff n GLU 72 Cb 0.36 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.54 3mff n GLU 72 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3mff s HIS 73 N -3.02 1.27 -0.08 -1.84 3.76 -1.20 -1.76 115.29 112.42 3mff s HIS 73 Ca 0.13 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.66 3mff s HIS 73 Cb 0.18 -0.76 0.04 0.00 1.11 0.00 0.00 32.58 33.15 3mff s HIS 73 CO 0.54 0.04 0.13 0.12 -0.85 0.00 0.00 174.74 174.72 3mff s PHE 74 N -0.82 -0.10 -0.09 1.40 5.36 -0.96 -4.49 117.98 118.27 3mff s PHE 74 Ca 0.02 0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3mff s PHE 74 Cb -0.08 -0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.23 3mff s PHE 74 CO 0.01 -0.27 0.02 -1.12 -1.46 0.00 0.00 175.22 172.40 3mff s SER 75 N 2.26 5.36 -0.16 6.13 0.01 -0.23 -2.64 113.70 124.43 3mff s SER 75 Ca 0.04 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 3mff s SER 75 Cb -0.12 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 3mff s SER 75 CO -0.05 0.37 -0.08 -0.22 0.41 0.00 0.00 173.24 173.67 3mff s LEU 76 N -0.85 2.91 -0.10 2.44 2.96 0.03 -1.33 118.68 124.74 3mff s LEU 76 Ca 0.13 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3mff s LEU 76 Cb -0.11 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3mff s LEU 76 CO 0.02 0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.35 3mff s ILE 77 N 0.66 1.70 -0.31 6.68 1.01 0.11 -0.52 121.20 130.53 3mff s ILE 77 Ca -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3mff s ILE 77 Cb -0.15 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.87 3mff s ILE 77 CO 0.02 0.48 0.02 -0.76 0.00 0.00 0.00 174.94 174.71 3mff s LEU 78 N 0.63 4.07 0.26 2.97 1.43 0.04 -1.15 118.68 126.93 3mff s LEU 78 Ca -0.14 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 51.57 3mff s LEU 78 Cb -0.16 -1.72 0.34 0.00 0.03 0.00 0.00 46.19 44.67 3mff s LEU 78 CO 0.04 -0.29 1.76 0.44 0.23 0.00 0.00 176.35 178.53 3mff h ASP 79 N 7.99 0.75 -1.81 2.29 3.32 -1.84 0.13 116.42 127.26 3mff h ASP 79 Ca -0.20 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.36 3mff h ASP 79 Cb 1.06 -0.20 -0.29 0.00 0.22 0.00 0.00 39.33 40.12 3mff h ASP 79 CO 0.55 0.82 -0.64 -0.55 -1.72 0.00 0.00 179.24 177.70 3mff s SER 80 N -6.65 0.76 0.29 6.45 0.15 -1.26 -3.68 113.70 109.77 3mff s SER 80 Ca -0.09 -1.30 -0.29 0.00 0.70 0.00 0.00 55.95 54.96 3mff s SER 80 Cb 0.15 0.80 -0.10 0.00 -1.71 0.00 0.00 66.02 65.15 3mff s SER 80 CO 0.81 -0.27 1.36 0.00 1.20 0.00 0.00 173.24 176.34 3mff s ALA 81 N 1.66 3.55 0.15 5.45 0.00 -0.58 -4.64 121.76 127.34 3mff s ALA 81 Ca 0.16 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.48 3mff s ALA 81 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3mff s ALA 81 CO -0.08 -0.69 -0.06 0.15 0.00 0.00 0.00 175.76 175.08 3mff s LYS 82 N -1.18 2.22 0.45 0.00 1.02 -1.26 -0.19 119.74 120.80 3mff s LYS 82 Ca 0.53 -1.13 0.11 0.00 0.02 0.00 0.00 55.97 55.51 3mff s LYS 82 Cb -0.40 -2.29 1.03 0.00 -0.52 0.00 0.00 37.83 35.65 3mff s LYS 82 CO 0.49 0.47 2.08 1.79 -0.92 0.00 0.00 175.35 179.25 3mff h THR 83 N 2.79 1.03 0.00 2.17 1.35 -1.94 -0.54 112.91 117.78 3mff h THR 83 Ca -0.47 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3mff h THR 83 Cb 1.19 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3mff h THR 83 CO 0.55 0.06 0.00 -0.46 -0.25 0.00 0.00 175.52 175.42 3mff n ASN 84 N -4.49 0.00 -0.80 5.36 0.23 -1.26 -1.62 115.26 112.68 3mff n ASN 84 Ca 0.02 -0.83 0.12 0.00 -0.53 0.00 0.00 54.58 53.36 3mff n ASN 84 Cb 0.13 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.13 3mff n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mff n GLN 85 N -0.91 2.07 -1.72 -3.83 6.02 -0.21 -4.88 117.38 113.92 3mff n GLN 85 Ca 0.14 -1.59 -0.42 0.00 -0.01 0.00 0.00 57.00 55.12 3mff n GLN 85 Cb 0.06 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 3mff n GLN 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3mff s THR 86 N -1.80 2.87 0.01 5.09 2.01 -0.64 -4.82 115.64 118.37 3mff s THR 86 Ca 0.34 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.16 3mff s THR 86 Cb 0.20 -3.06 0.10 0.00 0.01 0.00 0.00 72.50 69.75 3mff s THR 86 CO 0.30 -0.01 1.25 -0.55 -0.69 0.00 0.00 174.62 174.93 3mff s SER 87 N 3.61 -0.02 -0.23 3.53 0.15 -0.52 -4.98 113.70 115.24 3mff s SER 87 Ca 0.84 -0.23 -0.08 0.00 0.70 0.00 0.00 55.95 57.18 3mff s SER 87 Cb -0.43 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 3mff s SER 87 CO 0.38 -0.38 0.09 -0.69 1.20 0.00 0.00 173.24 173.85 3mff s VAL 88 N -2.22 4.75 -0.19 4.45 1.01 -1.20 -1.02 120.40 125.98 3mff s VAL 88 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 3mff s VAL 88 Cb 0.01 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3mff s VAL 88 CO -0.01 0.37 0.07 -0.31 0.00 0.00 0.00 175.10 175.22 3mff s TYR 89 N 1.10 3.23 -0.16 5.22 2.02 0.24 -0.44 117.35 128.56 3mff s TYR 89 Ca 0.05 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3mff s TYR 89 Cb -0.14 -2.11 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3mff s TYR 89 CO 0.04 0.09 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.86 3mff s PHE 90 N 0.55 2.74 0.37 2.71 0.08 -0.37 -1.05 117.98 123.02 3mff s PHE 90 Ca 0.03 -1.34 -0.17 0.00 0.12 0.00 0.00 56.93 55.57 3mff s PHE 90 Cb -0.13 -1.88 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 3mff s PHE 90 CO 0.01 -0.64 0.83 0.00 -0.10 0.00 0.00 175.22 175.32 3mff s ALA 92 N -2.10 0.74 -0.02 0.00 0.00 -0.60 -0.82 121.76 118.95 3mff s ALA 92 Ca 0.57 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3mff s ALA 92 Cb -0.10 1.29 0.02 0.00 0.00 0.00 0.00 23.12 24.33 3mff s ALA 92 CO 0.17 -0.68 0.30 -1.54 0.00 0.00 0.00 175.76 174.02 3mff s SER 93 N -3.12 -0.19 0.03 0.00 1.04 -0.43 -1.16 113.70 109.86 3mff s SER 93 Ca 0.34 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 3mff s SER 93 Cb 0.04 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3mff s SER 93 CO 0.11 -0.42 -0.02 -0.94 0.98 0.00 0.00 173.24 172.95 3mff s SER 94 N -1.23 0.30 -0.64 7.02 1.04 -0.59 -0.83 113.70 118.76 3mff s SER 94 Ca -0.13 -0.63 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 3mff s SER 94 Cb -0.05 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3mff s SER 94 CO 0.04 -0.40 1.23 -0.22 0.98 0.00 0.00 173.24 174.88 3mff s LEU 95 N -1.89 3.33 0.12 2.42 2.96 -1.26 -2.65 118.68 121.71 3mff s LEU 95 Ca -0.09 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3mff s LEU 95 Cb -0.05 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.72 3mff s LEU 95 CO -0.04 -1.63 0.00 0.00 -1.32 0.00 0.00 176.35 173.36 3mff n ALA 96 N 8.85 -0.77 0.06 5.97 0.00 -1.26 -4.92 120.51 128.43 3mff n ALA 96 Ca 0.06 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 3mff n ALA 96 Cb 0.49 -0.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 3mff n ALA 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mff h GLY 97 N -0.29 0.13 0.00 0.00 0.00 -1.90 -3.41 103.07 97.60 3mff h GLY 97 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3mff h GLY 97 CO 0.01 0.30 0.00 2.41 0.00 0.00 0.00 176.54 179.26 3mff n THR 98 N -3.37 0.00 0.00 4.70 -1.04 -1.26 -5.05 114.28 108.26 3mff n THR 98 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3mff n THR 98 Cb 1.00 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 3mff n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mff n GLY 99 N 0.97 0.46 4.73 3.41 0.00 -1.26 -4.34 105.19 109.16 3mff n GLY 99 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3mff n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mff n ASN 100 N 0.00 0.00 -3.93 1.61 5.03 -1.26 -4.95 115.26 111.76 3mff n ASN 100 Ca 0.00 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.23 3mff n ASN 100 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.59 3mff n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3mff s TYR 101 N 0.00 1.07 0.19 3.10 1.51 -1.26 -5.11 117.35 116.85 3mff s TYR 101 Ca 0.00 -0.38 -0.33 0.00 -1.01 0.00 0.00 57.07 55.35 3mff s TYR 101 Cb 0.00 -0.88 -0.13 0.00 -0.11 0.00 0.00 41.96 40.84 3mff s TYR 101 CO 0.00 -0.26 1.56 -1.91 -1.11 0.00 0.00 175.55 173.83 3mff n GLU 102 N 4.12 2.22 -3.55 -0.62 2.13 -1.26 -4.97 120.64 118.70 3mff n GLU 102 Ca -0.22 0.80 -0.37 0.00 0.66 0.00 0.00 57.16 58.03 3mff n GLU 102 Cb 0.51 -2.55 -0.08 0.00 0.27 0.00 0.00 31.44 29.59 3mff n GLU 102 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3mff s GLN 103 N 0.59 4.19 -0.26 5.31 -0.21 -1.26 -4.42 119.66 123.60 3mff s GLN 103 Ca 0.75 0.00 -0.10 0.00 0.02 0.00 0.00 55.36 56.03 3mff s GLN 103 Cb -0.65 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 29.84 3mff s GLN 103 CO 0.40 0.15 0.17 0.71 -2.12 0.00 0.00 175.29 174.59 3mff s TYR 104 N 0.77 3.23 -0.03 0.91 2.02 -0.01 -4.89 117.35 119.35 3mff s TYR 104 Ca 0.14 0.09 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 3mff s TYR 104 Cb -0.13 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3mff s TYR 104 CO 0.04 -0.11 0.14 -0.06 -1.57 0.00 0.00 175.55 173.99 3mff s PHE 105 N 1.52 3.48 0.98 2.71 0.08 -1.26 -1.32 117.98 124.16 3mff s PHE 105 Ca 0.07 0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.32 3mff s PHE 105 Cb -0.15 -1.83 0.18 0.00 -0.57 0.00 0.00 43.02 40.66 3mff s PHE 105 CO 0.08 0.64 1.20 0.20 -0.10 0.00 0.00 175.22 177.24 3mff s GLY 106 N -1.68 1.65 0.00 4.36 0.00 0.00 -4.53 107.32 107.12 3mff s GLY 106 Ca 0.23 -0.85 0.19 0.00 0.00 0.00 0.00 44.72 44.29 3mff s GLY 106 CO 0.14 -0.16 1.61 -1.55 0.00 0.00 0.00 173.10 173.14 3mff n PRO 107 N -3.92 0.02 0.00 2.90 -0.04 -1.26 -4.81 135.00 127.89 3mff n PRO 107 Ca 0.11 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3mff n PRO 107 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3mff n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mff n GLY 108 N 0.47 0.89 2.97 0.55 0.00 -1.26 -5.02 105.19 103.79 3mff n GLY 108 Ca 0.05 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 3mff n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mff s THR 109 N -2.68 1.23 -0.35 2.61 2.01 -0.22 -4.67 115.64 113.57 3mff s THR 109 Ca 0.00 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 3mff s THR 109 Cb 0.00 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 3mff s THR 109 CO 0.00 0.40 0.56 -0.13 -0.69 0.00 0.00 174.62 174.76 3mff s ARG 110 N 1.44 3.66 -0.16 4.92 0.52 -0.44 -0.59 118.95 128.30 3mff s ARG 110 Ca 0.01 -0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.15 3mff s ARG 110 Cb -0.13 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 3mff s ARG 110 CO -0.07 -0.67 -0.10 -1.17 0.02 0.00 0.00 175.30 173.32 3mff s LEU 111 N 2.51 2.83 -0.14 2.53 2.96 -0.19 -1.12 118.68 128.05 3mff s LEU 111 Ca 0.21 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3mff s LEU 111 Cb -0.15 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3mff s LEU 111 CO 0.14 0.12 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.27 3mff s THR 112 N 0.64 3.06 -0.21 3.68 2.01 -0.24 -1.43 115.64 123.14 3mff s THR 112 Ca -0.05 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3mff s THR 112 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 3mff s THR 112 CO 0.03 0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 3mff s VAL 113 N 0.55 3.57 0.10 3.82 1.01 -1.26 -1.07 120.40 127.12 3mff s VAL 113 Ca -0.08 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3mff s VAL 113 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3mff s VAL 113 CO 0.04 0.42 -0.21 0.28 0.00 0.00 0.00 175.10 175.62 3mff s THR 114 N 1.33 2.61 0.34 3.92 -1.32 -0.29 -4.49 115.64 117.73 3mff s THR 114 Ca 0.04 -1.51 0.09 0.00 -1.21 0.00 0.00 61.69 59.10 3mff s THR 114 Cb -0.14 -2.15 0.32 0.00 -1.51 0.00 0.00 72.50 69.02 3mff s THR 114 CO -0.01 0.16 1.81 -0.33 -2.21 0.00 0.00 174.62 174.04 3mff h GLU 115 N 4.01 0.66 -2.04 7.08 3.07 -1.96 0.22 114.58 125.63 3mff h GLU 115 Ca -0.49 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 3mff h GLU 115 Cb 1.16 -0.15 -0.21 0.00 -0.84 0.00 0.00 28.75 28.71 3mff h GLU 115 CO 0.44 0.44 0.05 0.34 -1.40 0.00 0.00 179.01 178.87 3mff s ASP 116 N -5.53 -0.84 0.12 1.42 -1.08 -1.26 -4.66 116.67 104.83 3mff s ASP 116 Ca -0.10 1.46 0.17 0.00 -0.52 0.00 0.00 52.55 53.55 3mff s ASP 116 Cb 0.24 1.39 0.74 0.00 -1.46 0.00 0.00 42.92 43.83 3mff s ASP 116 CO 0.80 -0.24 1.53 0.18 0.52 0.00 0.00 175.17 177.96 3mff n LEU 117 N 3.64 0.29 0.00 -1.34 4.77 -1.26 -1.70 117.00 121.39 3mff n LEU 117 Ca -0.18 0.58 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 3mff n LEU 117 Cb 0.57 -0.55 0.23 0.00 -2.33 0.00 0.00 43.42 41.35 3mff n LEU 117 CO 0.01 -0.43 0.63 2.29 -1.33 0.00 0.00 177.39 178.55 3mff n LYS 118 N -1.82 0.08 0.04 3.23 2.85 -1.26 -1.37 118.16 119.90 3mff n LYS 118 Ca 0.02 0.26 0.13 0.00 -1.05 0.00 0.00 58.31 57.67 3mff n LYS 118 Cb 0.17 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.55 3mff n LYS 118 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3mff n ASN 119 N -1.39 0.31 -4.72 -5.58 3.02 -0.69 -4.87 115.26 101.35 3mff n ASN 119 Ca 0.04 0.54 -0.40 0.00 -0.03 0.00 0.00 54.58 54.73 3mff n ASN 119 Cb 0.10 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 3mff n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mff s VAL 120 N -3.06 5.01 -0.03 2.41 1.01 -0.47 -4.66 120.40 120.60 3mff s VAL 120 Ca 0.11 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 3mff s VAL 120 Cb 0.15 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3mff s VAL 120 CO 0.50 0.25 0.08 -0.36 0.00 0.00 0.00 175.10 175.57 3mff s PHE 121 N 0.77 -0.07 0.88 5.22 0.08 -0.19 -4.78 117.98 119.89 3mff s PHE 121 Ca 0.39 0.24 -0.12 0.00 0.12 0.00 0.00 56.93 57.56 3mff s PHE 121 Cb -0.18 -0.05 0.12 0.00 -0.57 0.00 0.00 43.02 42.34 3mff s PHE 121 CO 0.20 -0.07 1.10 -1.25 -0.10 0.00 0.00 175.22 175.09 3mff s PRO 122 N 0.48 1.43 0.50 0.24 0.04 -1.26 -1.60 135.00 134.83 3mff s PRO 122 Ca -0.04 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 3mff s PRO 122 Cb -0.05 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 3mff s PRO 122 CO -0.02 -2.08 1.03 -1.25 0.04 0.00 0.00 177.00 174.72 3mff s PRO 123 N -5.06 3.76 0.06 0.56 0.04 -1.26 -4.17 135.00 128.93 3mff s PRO 123 Ca 0.63 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3mff s PRO 123 Cb -0.16 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3mff s PRO 123 CO 0.56 -0.46 0.40 -1.21 0.04 0.00 0.00 177.00 176.33 3mff s GLU 124 N -3.43 3.81 -0.05 4.56 2.02 0.54 -4.91 118.70 121.24 3mff s GLU 124 Ca 0.66 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.94 3mff s GLU 124 Cb -0.15 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3mff s GLU 124 CO 0.23 0.60 -0.17 0.08 0.02 0.00 0.00 175.26 176.02 3mff s VAL 125 N -1.30 1.46 0.01 2.63 1.01 -1.26 -0.65 120.40 122.31 3mff s VAL 125 Ca 0.30 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3mff s VAL 125 Cb -0.15 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3mff s VAL 125 CO 0.16 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 3mff s ALA 126 N 0.18 0.47 -0.07 5.51 0.00 -0.56 -4.59 121.76 122.71 3mff s ALA 126 Ca -0.08 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3mff s ALA 126 Cb -0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3mff s ALA 126 CO 0.03 0.06 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 3mff s VAL 127 N -0.58 3.59 -0.12 0.00 1.01 -1.26 -0.83 120.40 122.20 3mff s VAL 127 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3mff s VAL 127 Cb -0.05 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3mff s VAL 127 CO 0.00 0.60 -0.15 -0.36 0.00 0.00 0.00 175.10 175.18 3mff s PHE 128 N -0.77 2.76 0.52 5.22 0.08 0.67 -4.98 117.98 121.48 3mff s PHE 128 Ca 0.12 -0.71 -0.19 0.00 0.12 0.00 0.00 56.93 56.27 3mff s PHE 128 Cb -0.11 -1.81 -0.07 0.00 -0.57 0.00 0.00 43.02 40.46 3mff s PHE 128 CO 0.01 -0.24 1.06 -1.21 -0.10 0.00 0.00 175.22 174.74 3mff s GLU 129 N 0.31 3.59 0.47 0.44 2.02 -1.26 -2.35 118.70 121.93 3mff s GLU 129 Ca -0.12 1.37 -0.24 0.00 0.02 0.00 0.00 54.97 56.00 3mff s GLU 129 Cb -0.16 -2.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.93 3mff s GLU 129 CO 0.06 -0.61 1.32 -2.30 0.02 0.00 0.00 175.26 173.76 3mff n PRO 130 N -1.29 1.90 -2.13 0.39 -0.02 -1.25 -4.86 135.00 127.74 3mff n PRO 130 Ca 0.10 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3mff n PRO 130 Cb 0.52 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3mff n PRO 130 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mff s SER 131 N -0.65 6.79 0.47 2.55 0.15 -1.26 -4.92 113.70 116.82 3mff s SER 131 Ca 0.65 2.34 0.12 0.00 0.70 0.00 0.00 55.95 59.75 3mff s SER 131 Cb -0.46 -2.58 1.08 0.00 -1.71 0.00 0.00 66.02 62.35 3mff s SER 131 CO 0.55 -0.70 2.10 -0.08 1.20 0.00 0.00 173.24 176.31 3mff h GLU 132 N 7.08 0.26 -0.86 5.44 4.57 -1.98 -2.34 114.58 126.74 3mff h GLU 132 Ca -0.42 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 3mff h GLU 132 Cb 1.20 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3mff h GLU 132 CO 0.88 0.17 0.42 0.00 -1.18 0.00 0.00 179.01 179.30 3mff h ALA 133 N 1.87 1.11 -0.23 2.92 0.00 -1.99 -0.45 119.26 122.49 3mff h ALA 133 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3mff h ALA 133 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3mff h ALA 133 CO -0.02 0.67 0.05 1.49 0.00 0.00 0.00 179.25 181.44 3mff h GLU 134 N 1.23 0.37 -0.37 0.00 4.81 -1.76 -0.72 114.58 118.14 3mff h GLU 134 Ca 0.30 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 3mff h GLU 134 Cb 0.11 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 3mff h GLU 134 CO -0.04 0.49 -0.06 0.82 -0.73 0.00 0.00 179.01 179.49 3mff h ILE 135 N 0.19 0.66 -0.57 2.32 2.04 -1.29 0.16 117.51 121.02 3mff h ILE 135 Ca 0.07 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 3mff h ILE 135 Cb 0.29 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3mff h ILE 135 CO 0.00 0.01 0.08 -1.28 0.00 0.00 0.00 178.15 176.96 3mff h SER 136 N 0.03 0.88 0.84 1.72 0.87 -1.00 0.22 113.55 117.11 3mff h SER 136 Ca 0.18 -0.20 -0.24 0.00 -1.23 0.00 0.00 61.79 60.31 3mff h SER 136 Cb 0.27 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3mff h SER 136 CO -0.35 0.89 -1.12 -0.74 -0.53 0.00 0.00 176.83 174.98 3mff h HIS 137 N 0.87 0.18 0.00 2.24 -0.00 -0.58 -3.40 115.15 114.46 3mff h HIS 137 Ca 0.18 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3mff h HIS 137 Cb 0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 3mff h HIS 137 CO 0.03 1.11 0.00 0.25 -0.00 0.00 0.00 177.93 179.31 3mff n THR 138 N -3.41 0.00 -1.75 6.26 -2.24 0.50 -5.01 114.28 108.64 3mff n THR 138 Ca -0.04 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 3mff n THR 138 Cb 0.98 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 70.34 3mff n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mff n GLN 139 N -0.31 -1.53 -4.32 -0.78 1.13 0.77 -4.97 117.38 107.37 3mff n GLN 139 Ca 0.00 0.92 -0.17 0.00 -1.94 0.00 0.00 57.00 55.81 3mff n GLN 139 Cb 0.05 -5.32 -0.10 0.00 0.11 0.00 0.00 30.24 24.98 3mff n GLN 139 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3mff s LYS 140 N -3.86 1.25 -0.14 -1.09 1.02 -1.26 -1.20 119.74 114.46 3mff s LYS 140 Ca 0.00 -1.55 -0.03 0.00 0.02 0.00 0.00 55.97 54.41 3mff s LYS 140 Cb 0.00 -0.94 0.05 0.00 -0.52 0.00 0.00 37.83 36.42 3mff s LYS 140 CO 0.00 0.13 0.03 0.00 -0.92 0.00 0.00 175.35 174.60 3mff s ALA 141 N -3.10 0.78 -0.23 5.17 0.00 0.05 -3.08 121.76 121.35 3mff s ALA 141 Ca 0.21 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 3mff s ALA 141 Cb 0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3mff s ALA 141 CO 0.05 -0.91 0.03 0.99 0.00 0.00 0.00 175.76 175.92 3mff s THR 142 N 1.95 4.03 0.22 0.00 2.01 -1.26 -0.99 115.64 121.60 3mff s THR 142 Ca 0.02 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 3mff s THR 142 Cb -0.15 -2.86 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3mff s THR 142 CO -0.07 0.39 0.50 -0.76 -0.69 0.00 0.00 174.62 173.98 3mff s LEU 143 N 1.37 4.17 -0.01 4.42 1.02 0.04 -3.88 118.68 125.81 3mff s LEU 143 Ca 0.05 0.76 0.05 0.00 0.02 0.00 0.00 54.13 55.01 3mff s LEU 143 Cb -0.15 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.52 3mff s LEU 143 CO 0.02 -0.07 -0.18 -0.69 0.02 0.00 0.00 176.35 175.45 3mff s VAL 144 N -1.85 1.41 -0.09 -1.59 1.01 -0.99 -1.61 120.40 116.68 3mff s VAL 144 Ca 0.44 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3mff s VAL 144 Cb -0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3mff s VAL 144 CO 0.25 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.64 3mff s LEU 146 N -0.27 2.42 -0.20 0.00 1.43 -0.01 -1.48 118.68 120.56 3mff s LEU 146 Ca 0.03 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3mff s LEU 146 Cb -0.13 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3mff s LEU 146 CO 0.03 0.06 -0.01 0.00 0.23 0.00 0.00 176.35 176.66 3mff s ALA 147 N 0.93 2.97 0.10 4.21 0.00 0.30 -1.50 121.76 128.77 3mff s ALA 147 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.93 3mff s ALA 147 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3mff s ALA 147 CO -0.02 -0.20 -0.08 0.95 0.00 0.00 0.00 175.76 176.41 3mff s THR 148 N 1.09 0.77 -0.88 0.00 -4.23 0.18 -0.20 115.64 112.37 3mff s THR 148 Ca 0.02 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3mff s THR 148 Cb -0.14 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3mff s THR 148 CO 0.01 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 3mff n GLY 149 N 0.21 1.01 3.89 3.99 0.00 -0.74 -0.34 105.19 113.21 3mff n GLY 149 Ca -0.14 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3mff n GLY 149 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mff s PHE 150 N -2.29 3.53 -0.18 1.61 -0.12 -1.04 -4.62 117.98 114.88 3mff s PHE 150 Ca 0.00 0.58 -0.09 0.00 -0.05 0.00 0.00 56.93 57.37 3mff s PHE 150 Cb 0.00 -2.01 0.06 0.00 -0.63 0.00 0.00 43.02 40.44 3mff s PHE 150 CO 0.00 0.52 0.42 -0.47 -0.05 0.00 0.00 175.22 175.64 3mff s TYR 151 N -1.48 -0.63 1.04 3.49 5.04 -0.63 0.04 117.35 124.22 3mff s TYR 151 Ca 0.35 1.34 -0.17 0.00 -2.44 0.00 0.00 57.07 56.14 3mff s TYR 151 Cb -0.13 0.29 0.23 0.00 0.35 0.00 0.00 41.96 42.70 3mff s TYR 151 CO 0.21 -0.36 1.26 -1.25 -1.34 0.00 0.00 175.55 174.08 3mff s PRO 152 N 1.45 0.03 0.00 4.97 0.04 -1.26 -1.02 135.00 139.20 3mff s PRO 152 Ca -0.09 -0.33 -0.02 0.00 0.04 0.00 0.00 61.00 60.60 3mff s PRO 152 Cb -0.08 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3mff s PRO 152 CO -0.13 -2.84 2.30 -0.40 0.04 0.00 0.00 177.00 175.97 3mff n ASP 153 N -4.09 4.57 -4.22 6.66 5.75 -1.26 -4.75 116.55 119.22 3mff n ASP 153 Ca 0.15 -2.27 -0.42 0.00 -0.01 0.00 0.00 54.79 52.25 3mff n ASP 153 Cb 0.59 -1.07 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 3mff n ASP 153 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3mff s HIS 154 N 0.67 3.67 0.03 2.11 3.76 -1.26 -4.89 115.29 119.38 3mff s HIS 154 Ca 0.22 -2.44 -0.04 0.00 -0.15 0.00 0.00 55.06 52.66 3mff s HIS 154 Cb 0.11 -3.52 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 3mff s HIS 154 CO 0.00 -0.90 0.06 0.14 -0.85 0.00 0.00 174.74 173.19 3mff s VAL 155 N -0.20 0.13 -0.08 -0.90 -7.23 -1.26 -1.19 120.40 109.68 3mff s VAL 155 Ca 0.20 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3mff s VAL 155 Cb -0.14 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.04 3mff s VAL 155 CO -0.07 -0.60 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.45 3mff s GLU 156 N -2.38 1.18 -0.12 4.82 2.02 0.00 -4.97 118.70 119.26 3mff s GLU 156 Ca -0.07 -0.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 3mff s GLU 156 Cb -0.03 -1.22 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 3mff s GLU 156 CO -0.04 -0.17 -0.01 -1.17 0.02 0.00 0.00 175.26 173.90 3mff s LEU 157 N 1.35 3.48 0.05 1.80 0.20 -1.26 -0.64 118.68 123.65 3mff s LEU 157 Ca -0.03 0.04 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 3mff s LEU 157 Cb -0.14 -1.82 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 3mff s LEU 157 CO -0.03 0.29 0.01 -0.94 -0.29 0.00 0.00 176.35 175.39 3mff s SER 158 N -0.34 0.41 -0.05 3.68 1.04 0.10 -4.99 113.70 113.54 3mff s SER 158 Ca 0.07 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.62 3mff s SER 158 Cb -0.12 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 3mff s SER 158 CO 0.02 -0.61 -0.15 0.26 0.98 0.00 0.00 173.24 173.74 3mff s TRP 159 N -3.80 2.68 -0.14 5.02 0.52 -1.26 -0.21 118.94 121.75 3mff s TRP 159 Ca 0.06 -0.22 0.00 0.00 0.02 0.00 0.00 56.10 55.96 3mff s TRP 159 Cb 0.07 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.77 3mff s TRP 159 CO -0.10 0.14 -0.12 -1.58 0.02 0.00 0.00 176.95 175.31 3mff s TRP 160 N -0.63 1.95 -0.19 -1.98 0.52 0.20 -1.20 118.94 117.62 3mff s TRP 160 Ca 0.09 -1.09 -0.03 0.00 0.02 0.00 0.00 56.10 55.10 3mff s TRP 160 Cb -0.11 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3mff s TRP 160 CO 0.01 -0.62 -0.08 0.08 0.02 0.00 0.00 176.95 176.36 3mff s VAL 161 N 1.56 3.22 -1.59 4.03 1.01 0.36 -0.27 120.40 128.72 3mff s VAL 161 Ca 0.04 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 3mff s VAL 161 Cb -0.13 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.92 3mff s VAL 161 CO -0.10 0.46 0.76 0.59 0.00 0.00 0.00 175.10 176.82 3mff n ASN 162 N 4.38 -3.02 0.00 3.32 3.02 -0.54 -1.84 115.26 120.58 3mff n ASN 162 Ca -0.18 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3mff n ASN 162 Cb 0.51 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 3mff n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mff n GLY 163 N -1.60 0.70 3.07 7.41 0.00 -1.26 -5.02 105.19 108.49 3mff n GLY 163 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3mff n GLY 163 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mff s LYS 164 N -0.22 1.70 0.29 1.61 2.20 -0.77 -5.08 119.74 119.47 3mff s LYS 164 Ca 0.00 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3mff s LYS 164 Cb 0.00 -1.43 -0.10 0.00 -1.51 0.00 0.00 37.83 34.78 3mff s LYS 164 CO 0.00 0.12 1.35 -2.00 -0.36 0.00 0.00 175.35 174.46 3mff s GLU 165 N 0.37 4.32 0.22 4.03 2.12 -1.26 -0.49 118.70 128.02 3mff s GLU 165 Ca -0.10 2.24 0.08 0.00 0.36 0.00 0.00 54.97 57.55 3mff s GLU 165 Cb -0.14 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 3mff s GLU 165 CO 0.03 -0.28 -0.15 0.14 -0.54 0.00 0.00 175.26 174.46 3mff s VAL 166 N -0.65 1.88 0.00 3.70 -7.23 -0.34 -4.88 120.40 112.88 3mff s VAL 166 Ca 0.53 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3mff s VAL 166 Cb -0.40 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3mff s VAL 166 CO 0.49 -0.54 0.00 1.41 -0.31 0.00 0.00 175.10 176.15 3mff n HIS 167 N -0.44 0.00 -1.78 2.82 -0.00 -1.26 -4.46 115.22 110.09 3mff n HIS 167 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.23 3mff n HIS 167 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.56 3mff n HIS 167 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3mff s SER 168 N -2.13 6.46 0.00 0.41 0.15 -1.26 -1.97 113.70 115.36 3mff s SER 168 Ca 0.00 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.39 3mff s SER 168 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3mff s SER 168 CO 0.00 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.10 3mff n GLY 169 N 4.03 0.87 3.80 9.45 0.00 -1.26 -4.84 105.19 117.25 3mff n GLY 169 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3mff n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mff s VAL 170 N -3.44 5.19 -0.14 1.61 1.01 -0.83 -0.76 120.40 123.04 3mff s VAL 170 Ca 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 3mff s VAL 170 Cb 0.00 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.78 3mff s VAL 170 CO 0.00 0.51 0.10 -0.55 0.00 0.00 0.00 175.10 175.16 3mff s SER 171 N -0.47 1.85 0.00 3.32 0.15 0.06 -5.01 113.70 113.60 3mff s SER 171 Ca 0.21 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3mff s SER 171 Cb -0.15 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 3mff s SER 171 CO 0.09 -0.32 -0.00 -0.89 1.20 0.00 0.00 173.24 173.32 3mff s THR 172 N 2.18 4.12 0.32 6.45 2.01 -1.26 -1.17 115.64 128.28 3mff s THR 172 Ca 0.03 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 3mff s THR 172 Cb -0.15 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.39 3mff s THR 172 CO -0.08 0.37 1.12 0.47 -0.69 0.00 0.00 174.62 175.81 3mff n ASP 173 N 1.38 1.87 -0.35 3.53 8.00 -0.34 -4.88 116.55 125.76 3mff n ASP 173 Ca -0.14 1.18 0.10 0.00 0.71 0.00 0.00 54.79 56.63 3mff n ASP 173 Cb 0.53 -1.37 0.27 0.00 -0.02 0.00 0.00 41.12 40.53 3mff n ASP 173 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3mff h PRO 174 N 2.17 0.82 -2.81 -0.24 0.11 -1.98 -3.44 132.00 126.63 3mff h PRO 174 Ca -0.42 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3mff h PRO 174 Cb 1.32 -0.19 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 3mff h PRO 174 CO 0.61 0.55 0.03 1.14 -0.21 0.00 0.00 178.00 180.12 3mff s GLN 175 N -5.92 1.04 0.59 1.05 -2.07 -1.26 -5.15 119.66 107.94 3mff s GLN 175 Ca -0.12 -0.27 -0.20 0.00 -1.82 0.00 0.00 55.36 52.96 3mff s GLN 175 Cb 0.23 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.59 3mff s GLN 175 CO 0.80 -0.38 1.34 -2.14 -1.32 0.00 0.00 175.29 173.59 3mff s PRO 176 N -2.54 2.89 -0.03 9.60 0.02 -1.26 -4.92 135.00 138.76 3mff s PRO 176 Ca -0.05 2.17 0.07 0.00 0.02 0.00 0.00 61.00 63.22 3mff s PRO 176 Cb -0.01 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 3mff s PRO 176 CO -0.02 -1.36 -0.25 -0.51 -0.33 0.00 0.00 177.00 174.52 3mff s LEU 177 N -3.87 2.09 0.20 -5.54 1.43 -0.34 -4.92 118.68 107.74 3mff s LEU 177 Ca 0.76 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 3mff s LEU 177 Cb -0.39 -1.36 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 3mff s LEU 177 CO 0.45 0.31 1.61 -0.54 0.23 0.00 0.00 176.35 178.41 3mff s LYS 178 N -0.54 4.18 0.45 1.70 1.02 -1.26 -0.98 119.74 124.30 3mff s LYS 178 Ca 0.08 2.47 0.21 0.00 0.02 0.00 0.00 55.97 58.75 3mff s LYS 178 Cb -0.11 -3.10 1.07 0.00 -0.52 0.00 0.00 37.83 35.16 3mff s LYS 178 CO -0.00 -0.64 1.93 0.93 -0.92 0.00 0.00 175.35 176.65 3mff h GLU 179 N 6.38 0.00 -2.39 1.68 5.08 -1.27 -3.36 114.58 120.70 3mff h GLU 179 Ca -0.44 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.33 3mff h GLU 179 Cb 1.21 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.07 3mff h GLU 179 CO 0.90 0.24 -0.95 1.04 -1.00 0.00 0.00 179.01 179.24 3mff n GLN 180 N -3.77 0.44 -0.40 2.33 6.02 -1.26 -5.01 117.38 115.73 3mff n GLN 180 Ca -0.01 -3.33 0.39 0.00 -0.01 0.00 0.00 57.00 54.04 3mff n GLN 180 Cb 0.34 -1.69 0.67 0.00 1.02 0.00 0.00 30.24 30.59 3mff n GLN 180 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3mff h PRO 181 N 5.40 0.00 -0.00 -1.09 0.11 -1.95 0.74 132.00 135.20 3mff h PRO 181 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3mff h PRO 181 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3mff h PRO 181 CO 0.42 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.16 3mff n ALA 182 N -2.61 2.56 -3.11 -0.75 0.00 -1.26 -4.81 120.51 110.52 3mff n ALA 182 Ca 0.31 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 3mff n ALA 182 Cb 1.60 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 3mff n ALA 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mff s LEU 183 N -2.68 2.82 0.32 0.00 1.02 0.25 -5.02 118.68 115.39 3mff s LEU 183 Ca 0.24 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 54.13 3mff s LEU 183 Cb 0.20 -1.65 0.55 0.00 0.02 0.00 0.00 46.19 45.31 3mff s LEU 183 CO 0.49 0.15 1.82 -0.55 0.02 0.00 0.00 176.35 178.28 3mff h ASN 184 N 6.86 0.44 -0.29 2.29 -1.07 -1.87 -2.57 115.58 119.37 3mff h ASN 184 Ca -0.28 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 55.98 3mff h ASN 184 Cb 1.20 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 3mff h ASN 184 CO 0.57 0.60 0.00 0.47 0.07 0.00 0.00 177.43 179.14 3mff n ASP 185 N -4.21 2.96 -4.72 6.14 8.00 -1.26 -4.98 116.55 118.48 3mff n ASP 185 Ca 0.00 -2.35 -0.41 0.00 0.71 0.00 0.00 54.79 52.74 3mff n ASP 185 Cb 0.31 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3mff n ASP 185 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3mff n SER 186 N 0.35 2.89 -4.81 -2.24 2.88 -0.97 -5.00 113.62 106.72 3mff n SER 186 Ca 0.13 1.16 -0.28 0.00 -1.33 0.00 0.00 58.87 58.55 3mff n SER 186 Cb 0.61 -1.52 0.10 0.00 -0.75 0.00 0.00 64.21 62.65 3mff n SER 186 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mff s ARG 187 N -2.09 1.85 0.20 -1.46 0.52 -1.26 -4.87 118.95 111.84 3mff s ARG 187 Ca 0.58 -0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.78 3mff s ARG 187 Cb -0.52 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 3mff s ARG 187 CO 0.60 -1.59 -0.17 0.71 0.02 0.00 0.00 175.30 174.87 3mff s TYR 188 N -3.51 1.86 0.26 -0.53 2.02 0.11 -0.76 117.35 116.79 3mff s TYR 188 Ca 0.63 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 3mff s TYR 188 Cb -0.10 -0.87 -0.06 0.00 -0.40 0.00 0.00 41.96 40.53 3mff s TYR 188 CO 0.48 0.41 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.69 3mff s SER 189 N -3.10 2.58 -0.16 2.29 0.01 -0.16 -1.79 113.70 113.37 3mff s SER 189 Ca 0.21 -1.17 -0.14 0.00 1.31 0.00 0.00 55.95 56.16 3mff s SER 189 Cb -0.03 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.10 3mff s SER 189 CO 0.08 -0.35 0.42 -0.22 0.41 0.00 0.00 173.24 173.58 3mff s LEU 190 N -3.40 0.39 0.31 2.44 2.96 0.72 -1.19 118.68 120.91 3mff s LEU 190 Ca 0.28 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 55.14 3mff s LEU 190 Cb 0.03 1.43 -0.06 0.00 0.50 0.00 0.00 46.19 48.10 3mff s LEU 190 CO 0.11 -0.15 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.91 3mff s SER 191 N 0.26 3.62 0.01 3.68 1.04 -1.26 -0.54 113.70 120.50 3mff s SER 191 Ca -0.00 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.13 3mff s SER 191 Cb -0.03 -0.32 0.03 0.00 0.10 0.00 0.00 66.02 65.80 3mff s SER 191 CO 0.00 -0.11 0.36 -0.55 0.98 0.00 0.00 173.24 173.91 3mff s SER 192 N -3.56 -0.23 0.03 7.02 0.15 -0.55 -1.20 113.70 115.37 3mff s SER 192 Ca 0.31 0.04 0.09 0.00 0.70 0.00 0.00 55.95 57.09 3mff s SER 192 Cb -0.00 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3mff s SER 192 CO 0.16 -0.55 -0.25 -0.13 1.20 0.00 0.00 173.24 173.67 3mff s ARG 193 N -1.86 1.79 -0.11 5.44 0.52 -0.32 -0.49 118.95 123.91 3mff s ARG 193 Ca -0.09 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 3mff s ARG 193 Cb -0.03 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.56 3mff s ARG 193 CO 0.01 0.50 -0.11 -1.17 0.02 0.00 0.00 175.30 174.55 3mff s LEU 194 N -1.07 1.47 -0.15 2.53 2.96 -0.64 -0.76 118.68 123.03 3mff s LEU 194 Ca 0.11 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3mff s LEU 194 Cb -0.10 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3mff s LEU 194 CO 0.01 -0.05 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.36 3mff s ARG 195 N 1.34 3.59 0.33 1.98 3.52 0.06 -0.78 118.95 129.00 3mff s ARG 195 Ca -0.01 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.13 3mff s ARG 195 Cb -0.14 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 3mff s ARG 195 CO -0.05 0.31 0.08 0.14 -0.81 0.00 0.00 175.30 174.96 3mff s VAL 196 N 0.19 0.97 0.63 7.11 -7.23 -0.16 -4.61 120.40 117.30 3mff s VAL 196 Ca -0.01 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.01 3mff s VAL 196 Cb -0.14 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3mff s VAL 196 CO 0.03 0.00 1.08 -0.94 -0.31 0.00 0.00 175.10 174.96 3mff s SER 197 N -3.47 5.40 0.20 4.85 1.04 -1.26 -0.77 113.70 119.69 3mff s SER 197 Ca 0.35 1.90 -0.12 0.00 0.48 0.00 0.00 55.95 58.56 3mff s SER 197 Cb 0.08 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.88 3mff s SER 197 CO 0.15 -1.43 1.72 0.00 0.98 0.00 0.00 173.24 174.66 3mff h ALA 198 N 0.16 0.63 0.00 5.32 0.00 -1.42 -2.19 119.26 121.76 3mff h ALA 198 Ca -0.47 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3mff h ALA 198 Cb 1.23 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3mff h ALA 198 CO 0.56 -0.29 -0.09 1.79 0.00 0.00 0.00 179.25 181.22 3mff h THR 199 N 0.27 0.85 -0.01 0.00 1.35 -1.92 0.93 112.91 114.38 3mff h THR 199 Ca 0.27 -0.33 -0.12 0.00 -0.55 0.00 0.00 66.41 65.68 3mff h THR 199 Cb 0.37 1.19 0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3mff h THR 199 CO -0.34 0.09 -0.48 0.15 -0.25 0.00 0.00 175.52 174.69 3mff h PHE 200 N 0.00 0.50 -0.53 4.73 3.57 -1.80 -3.01 116.94 120.39 3mff h PHE 200 Ca -0.00 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 3mff h PHE 200 Cb 0.18 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3mff h PHE 200 CO 0.00 1.07 0.24 2.35 -2.23 0.00 0.00 178.31 179.74 3mff h TRP 201 N -0.21 0.74 0.00 0.41 2.91 -1.02 -2.70 115.95 116.07 3mff h TRP 201 Ca -0.06 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.94 3mff h TRP 201 Cb 1.19 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 3mff h TRP 201 CO 0.15 0.56 0.00 1.04 -1.03 0.00 0.00 178.44 179.16 3mff n GLN 202 N -4.36 0.79 -3.41 2.65 6.02 0.29 -1.29 117.38 118.06 3mff n GLN 202 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 3mff n GLN 202 Cb 0.13 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 3mff n GLN 202 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3mff s ASN 203 N -1.67 6.15 0.06 1.08 3.84 -1.02 -3.55 114.94 119.83 3mff s ASN 203 Ca 0.22 -0.53 0.10 0.00 0.21 0.00 0.00 52.86 52.86 3mff s ASN 203 Cb 0.10 -2.19 0.46 0.00 -0.55 0.00 0.00 41.25 39.08 3mff s ASN 203 CO 0.17 -0.41 1.32 -0.81 -2.79 0.00 0.00 177.10 174.58 3mff n PRO 204 N 5.35 0.04 0.23 0.43 -0.04 -1.26 -1.73 135.00 138.01 3mff n PRO 204 Ca -0.10 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 3mff n PRO 204 Cb 0.48 -1.59 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 3mff n PRO 204 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mff h ARG 205 N 0.00 0.00 -6.59 0.54 2.47 -1.93 -3.38 114.38 105.49 3mff h ARG 205 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 3mff h ARG 205 Cb 0.13 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 3mff h ARG 205 CO 0.00 0.00 0.26 -0.80 0.56 0.00 0.00 179.97 179.99 3mff s ASN 206 N -5.94 7.48 0.04 7.04 0.01 -0.71 -4.96 114.94 117.90 3mff s ASN 206 Ca 0.05 1.76 0.03 0.00 -0.71 0.00 0.00 52.86 53.99 3mff s ASN 206 Cb 0.07 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3mff s ASN 206 CO 0.62 0.15 -0.08 -1.38 -1.51 0.00 0.00 177.10 174.90 3mff s HIS 207 N -0.95 0.72 -0.13 2.20 -3.43 -1.26 -0.86 115.29 111.57 3mff s HIS 207 Ca 0.39 -0.44 -0.01 0.00 -0.80 0.00 0.00 55.06 54.20 3mff s HIS 207 Cb -0.24 -0.43 0.04 0.00 -1.43 0.00 0.00 32.58 30.52 3mff s HIS 207 CO 0.28 -0.06 -0.03 -0.06 -2.00 0.00 0.00 174.74 172.88 3mff s PHE 208 N -1.18 1.31 -0.13 0.38 0.08 -0.01 -1.47 117.98 116.95 3mff s PHE 208 Ca -0.07 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.25 3mff s PHE 208 Cb -0.09 -1.13 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 3mff s PHE 208 CO 0.01 -0.52 -0.21 0.50 -0.10 0.00 0.00 175.22 174.89 3mff s ARG 209 N 1.76 3.07 -0.23 0.44 3.52 0.62 -0.83 118.95 127.30 3mff s ARG 209 Ca 0.03 -0.84 -0.18 0.00 -0.13 0.00 0.00 55.73 54.61 3mff s ARG 209 Cb -0.14 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3mff s ARG 209 CO -0.07 0.04 0.49 0.00 -0.81 0.00 0.00 175.30 174.95 3mff s GLN 211 N 1.94 3.48 -0.23 0.00 0.74 0.71 -1.59 119.66 124.71 3mff s GLN 211 Ca 0.21 -0.62 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 3mff s GLN 211 Cb -0.15 -2.80 0.03 0.00 1.10 0.00 0.00 33.01 31.18 3mff s GLN 211 CO 0.09 0.15 -0.10 0.08 -0.55 0.00 0.00 175.29 174.96 3mff s VAL 212 N 0.56 2.64 -0.28 1.34 1.01 -0.16 -0.72 120.40 124.78 3mff s VAL 212 Ca -0.06 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 3mff s VAL 212 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3mff s VAL 212 CO 0.03 0.26 0.69 -1.58 0.00 0.00 0.00 175.10 174.50 3mff s GLN 213 N 1.30 4.03 -0.13 2.72 2.00 0.18 -1.18 119.66 128.58 3mff s GLN 213 Ca 0.00 0.54 -0.06 0.00 -2.00 0.00 0.00 55.36 53.84 3mff s GLN 213 Cb -0.16 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.92 3mff s GLN 213 CO -0.06 -0.54 0.09 0.12 -0.50 0.00 0.00 175.29 174.41 3mff s PHE 214 N 2.69 3.42 -0.29 1.67 5.36 0.28 -0.82 117.98 130.30 3mff s PHE 214 Ca 0.29 0.36 -0.06 0.00 -0.96 0.00 0.00 56.93 56.55 3mff s PHE 214 Cb -0.15 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.59 3mff s PHE 214 CO 0.10 0.54 0.07 0.71 -1.46 0.00 0.00 175.22 175.18 3mff s TYR 215 N -0.64 3.14 0.00 10.12 2.02 -0.33 -1.88 117.35 129.78 3mff s TYR 215 Ca 0.12 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3mff s TYR 215 Cb -0.12 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 3mff s TYR 215 CO 0.02 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 173.83 3mff n GLY 216 N 4.85 5.30 3.82 0.71 0.00 -1.26 -4.74 105.19 113.88 3mff n GLY 216 Ca -0.15 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 3mff n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mff s LEU 217 N 0.00 3.43 0.50 0.99 1.43 -0.42 -4.47 118.68 120.15 3mff s LEU 217 Ca 0.00 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 3mff s LEU 217 Cb 0.00 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.72 3mff s LEU 217 CO 0.00 -1.08 0.40 -0.94 0.23 0.00 0.00 176.35 174.96 3mff s SER 218 N -3.14 4.74 0.28 2.29 1.04 -1.26 -3.02 113.70 114.63 3mff s SER 218 Ca 0.61 -1.08 0.06 0.00 0.48 0.00 0.00 55.95 56.01 3mff s SER 218 Cb -0.14 0.08 0.40 0.00 0.10 0.00 0.00 66.02 66.46 3mff s SER 218 CO 0.40 -0.96 1.67 -0.33 0.98 0.00 0.00 173.24 175.01 3mff h GLU 219 N 0.85 0.26 -0.56 4.02 5.08 -2.03 -1.50 114.58 120.69 3mff h GLU 219 Ca -0.38 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 57.97 3mff h GLU 219 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 3mff h GLU 219 CO 0.57 0.66 0.39 -0.91 -1.00 0.00 0.00 179.01 178.72 3mff h ASN 220 N 0.21 0.21 -3.32 1.42 4.21 -2.04 -3.44 115.58 112.83 3mff h ASN 220 Ca 0.02 0.01 -0.52 0.00 1.21 0.00 0.00 56.30 57.01 3mff h ASN 220 Cb 0.87 -0.04 0.04 0.00 -1.12 0.00 0.00 38.32 38.07 3mff h ASN 220 CO 0.07 0.12 0.68 -1.81 -1.29 0.00 0.00 177.43 175.20 3mff s ASP 221 N -6.23 6.84 0.39 5.81 1.01 -0.57 -5.00 116.67 118.92 3mff s ASP 221 Ca -0.07 2.44 -0.24 0.00 0.71 0.00 0.00 52.55 55.39 3mff s ASP 221 Cb 0.20 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 3mff s ASP 221 CO 0.74 -0.58 1.03 -0.70 0.21 0.00 0.00 175.17 175.87 3mff s GLU 222 N 0.03 4.23 -0.16 8.23 2.12 -1.26 -4.89 118.70 127.00 3mff s GLU 222 Ca 0.58 1.47 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 3mff s GLU 222 Cb -0.37 -2.56 0.07 0.00 0.26 0.00 0.00 34.13 31.52 3mff s GLU 222 CO 0.38 -0.07 0.18 -0.46 -0.54 0.00 0.00 175.26 174.75 3mff s TRP 223 N -1.68 -0.16 -0.56 5.30 -0.11 -1.26 -5.01 118.94 115.46 3mff s TRP 223 Ca 0.57 0.27 0.09 0.00 1.22 0.00 0.00 56.10 58.25 3mff s TRP 223 Cb -0.21 -0.38 -0.07 0.00 -1.50 0.00 0.00 33.47 31.31 3mff s TRP 223 CO 0.26 -0.47 0.45 0.25 -4.62 0.00 0.00 176.95 172.82 3mff n THR 224 N 5.31 0.00 -1.97 5.86 -2.24 -1.26 -5.04 114.28 114.95 3mff n THR 224 Ca -0.05 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 3mff n THR 224 Cb 0.50 1.04 0.04 0.00 -2.10 0.00 0.00 70.33 69.80 3mff n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mff s GLN 225 N -1.66 2.94 0.21 -0.78 -1.52 -1.26 -4.95 119.66 112.64 3mff s GLN 225 Ca 0.05 1.72 -0.09 0.00 -1.95 0.00 0.00 55.36 55.08 3mff s GLN 225 Cb 0.07 -1.94 0.21 0.00 -0.22 0.00 0.00 33.01 31.14 3mff s GLN 225 CO 0.32 -1.21 1.85 -0.44 -0.25 0.00 0.00 175.29 175.57 3mff h ASP 226 N 0.71 0.76 -3.99 5.90 5.19 -2.06 -3.45 116.42 119.48 3mff h ASP 226 Ca -0.50 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.44 3mff h ASP 226 Cb 1.28 -0.16 0.15 0.00 0.18 0.00 0.00 39.33 40.78 3mff h ASP 226 CO 0.55 0.53 0.23 0.00 -3.12 0.00 0.00 179.24 177.42 3mff s ARG 227 N -6.11 0.93 0.36 3.56 1.70 -1.26 -4.97 118.95 113.15 3mff s ARG 227 Ca -0.13 0.73 -0.28 0.00 -0.47 0.00 0.00 55.73 55.58 3mff s ARG 227 Cb 0.16 -1.78 -0.11 0.00 -0.57 0.00 0.00 34.95 32.65 3mff s ARG 227 CO 0.77 -2.45 1.51 0.00 -1.08 0.00 0.00 175.30 174.06 3mff n ALA 228 N -4.01 2.42 -1.68 7.88 0.00 -1.26 -4.93 120.51 118.93 3mff n ALA 228 Ca 0.06 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3mff n ALA 228 Cb 0.56 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 3mff n ALA 228 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3mff n LYS 229 N 0.80 2.68 -1.73 0.00 4.81 -1.26 -4.88 118.16 118.58 3mff n LYS 229 Ca 0.03 0.98 -0.42 0.00 -0.87 0.00 0.00 58.31 58.03 3mff n LYS 229 Cb 0.38 -2.88 -0.00 0.00 0.02 0.00 0.00 35.03 32.55 3mff n LYS 229 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3mff n PRO 230 N 6.33 3.01 -1.92 1.64 -0.04 -1.26 -4.95 135.00 137.81 3mff n PRO 230 Ca 0.19 -2.63 -0.29 0.00 -0.04 0.00 0.00 63.50 60.74 3mff n PRO 230 Cb 0.37 -3.20 0.08 0.00 -0.04 0.00 0.00 33.50 30.70 3mff n PRO 230 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mff s VAL 231 N 2.85 2.44 0.22 0.52 -7.23 -1.26 -1.29 120.40 116.64 3mff s VAL 231 Ca 0.49 0.11 -0.32 0.00 -1.81 0.00 0.00 61.98 60.45 3mff s VAL 231 Cb 0.14 -3.13 -0.13 0.00 0.56 0.00 0.00 36.38 33.81 3mff s VAL 231 CO -0.08 -0.17 1.47 0.41 -0.31 0.00 0.00 175.10 176.42 3mff n THR 232 N -3.20 0.63 -3.61 5.32 -1.04 -1.17 -4.49 114.28 106.73 3mff n THR 232 Ca 0.08 -0.16 -0.04 0.00 -2.04 0.00 0.00 64.05 61.89 3mff n THR 232 Cb 0.60 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 3mff n THR 232 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mff s GLN 233 N 0.03 0.69 -0.00 -2.82 -2.07 -0.79 -4.93 119.66 109.77 3mff s GLN 233 Ca 0.72 -0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.97 3mff s GLN 233 Cb -0.65 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 31.51 3mff s GLN 233 CO 0.46 -0.31 -0.08 0.42 -1.32 0.00 0.00 175.29 174.46 3mff s ILE 234 N -2.83 3.58 -0.07 3.63 1.01 -1.26 -0.55 121.20 124.69 3mff s ILE 234 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3mff s ILE 234 Cb 0.00 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3mff s ILE 234 CO -0.04 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.58 3mff s VAL 235 N -0.96 0.72 0.28 2.92 1.01 -0.32 -4.97 120.40 119.07 3mff s VAL 235 Ca 0.16 -0.15 0.12 0.00 0.00 0.00 0.00 61.98 62.11 3mff s VAL 235 Cb -0.11 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3mff s VAL 235 CO 0.06 0.29 -0.19 -0.44 0.00 0.00 0.00 175.10 174.83 3mff s SER 236 N 1.40 3.62 0.04 3.32 0.01 -1.26 -0.99 113.70 119.84 3mff s SER 236 Ca -0.02 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.23 3mff s SER 236 Cb -0.13 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 3mff s SER 236 CO -0.03 0.02 -0.09 0.00 0.41 0.00 0.00 173.24 173.56 3mff s ALA 237 N -2.51 0.65 -0.01 1.44 0.00 -0.62 -4.82 121.76 115.89 3mff s ALA 237 Ca 0.30 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3mff s ALA 237 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3mff s ALA 237 CO 0.15 0.03 -0.03 -2.00 0.00 0.00 0.00 175.76 173.91 3mff s GLU 238 N -1.36 0.35 0.09 0.00 2.12 -1.26 -0.58 118.70 118.05 3mff s GLU 238 Ca -0.07 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 55.25 3mff s GLU 238 Cb -0.09 -0.38 -0.03 0.00 0.26 0.00 0.00 34.13 33.89 3mff s GLU 238 CO 0.01 0.03 -0.21 0.00 -0.54 0.00 0.00 175.26 174.54 3mff s ALA 239 N 0.20 1.83 0.05 6.30 0.00 -0.01 -4.96 121.76 125.17 3mff s ALA 239 Ca -0.02 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3mff s ALA 239 Cb -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3mff s ALA 239 CO -0.00 0.38 0.04 -1.58 0.00 0.00 0.00 175.76 174.60 3mff s TRP 240 N -1.06 3.12 0.92 0.00 0.52 -1.26 -0.83 118.94 120.36 3mff s TRP 240 Ca 0.07 0.06 -0.10 0.00 0.02 0.00 0.00 56.10 56.15 3mff s TRP 240 Cb -0.10 -1.62 0.15 0.00 -1.15 0.00 0.00 33.47 30.75 3mff s TRP 240 CO 0.04 0.50 1.12 0.41 0.02 0.00 0.00 176.95 179.03 3mff n GLY 241 N 0.79 -0.45 2.92 0.98 0.00 -0.04 -5.00 105.19 104.39 3mff n GLY 241 Ca -0.11 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 3mff n GLY 241 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mff s ARG 242 N -4.60 0.10 0.00 1.61 3.52 -0.41 -4.05 118.95 115.11 3mff s ARG 242 Ca 0.67 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 3mff s ARG 242 Cb -0.23 -0.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 3mff s ARG 242 CO 0.58 -0.20 0.34 0.43 -0.81 0.00 0.00 175.30 175.65