#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 0.27 -0.17 3.17 2.20 -1.26 -5.08 119.74 118.87 3mff s LYS 3 Ca 0.00 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.10 3mff s LYS 3 Cb 0.00 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3mff s LYS 3 CO 0.00 -0.05 0.03 0.08 -0.36 0.00 0.00 175.35 175.06 3mff s VAL 4 N -1.14 4.54 0.14 4.02 1.01 -1.26 -3.73 120.40 123.98 3mff s VAL 4 Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3mff s VAL 4 Cb -0.08 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3mff s VAL 4 CO -0.00 0.48 -0.02 0.42 0.00 0.00 0.00 175.10 175.97 3mff s THR 5 N 0.30 3.73 0.01 3.92 -4.23 -0.46 -4.32 115.64 114.59 3mff s THR 5 Ca 0.02 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3mff s THR 5 Cb -0.13 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 3mff s THR 5 CO 0.01 -0.01 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.95 3mff s GLN 6 N -2.65 0.27 -0.06 3.99 -0.21 -1.26 -0.78 119.66 118.96 3mff s GLN 6 Ca 0.26 -0.27 -0.05 0.00 0.02 0.00 0.00 55.36 55.32 3mff s GLN 6 Cb -0.10 -0.16 0.02 0.00 1.00 0.00 0.00 33.01 33.77 3mff s GLN 6 CO 0.18 0.04 0.15 1.41 -2.12 0.00 0.00 175.29 174.94 3mff s MET 7 N -0.51 0.16 0.95 2.91 1.75 -0.24 -4.58 119.30 119.73 3mff s MET 7 Ca -0.03 0.26 -0.16 0.00 -1.25 0.00 0.00 55.69 54.51 3mff s MET 7 Cb -0.04 0.02 0.19 0.00 2.84 0.00 0.00 34.83 37.84 3mff s MET 7 CO -0.00 -0.06 1.30 -1.25 -0.65 0.00 0.00 175.02 174.36 3mff s PRO 8 N 0.38 0.76 -0.06 4.11 0.04 -1.26 -0.85 135.00 138.11 3mff s PRO 8 Ca -0.02 -0.33 0.11 0.00 0.04 0.00 0.00 61.00 60.79 3mff s PRO 8 Cb -0.04 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.42 3mff s PRO 8 CO -0.02 -2.35 0.61 0.54 0.04 0.00 0.00 177.00 175.82 3mff n ARG 9 N -3.74 0.65 -4.07 4.56 1.74 -1.26 -4.46 116.66 110.08 3mff n ARG 9 Ca 0.14 0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 57.37 3mff n ARG 9 Cb 0.60 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 3mff n ARG 9 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3mff s TYR 10 N -2.59 0.41 -0.15 -1.55 2.02 -1.26 -0.97 117.35 113.26 3mff s TYR 10 Ca -0.07 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.33 3mff s TYR 10 Cb 0.08 -0.26 0.05 0.00 -0.40 0.00 0.00 41.96 41.43 3mff s TYR 10 CO 0.82 -0.04 0.37 -0.51 -1.57 0.00 0.00 175.55 174.62 3mff s LEU 11 N -0.58 0.11 -0.15 -1.29 1.43 -0.64 -4.95 118.68 112.61 3mff s LEU 11 Ca -0.03 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3mff s LEU 11 Cb -0.04 1.23 0.02 0.00 0.03 0.00 0.00 46.19 47.43 3mff s LEU 11 CO -0.00 -0.18 -0.15 -0.51 0.23 0.00 0.00 176.35 175.74 3mff s ILE 12 N 1.17 1.62 0.10 -0.59 1.10 -1.26 -0.79 121.20 122.56 3mff s ILE 12 Ca -0.08 -0.67 0.06 0.00 -0.51 0.00 0.00 60.65 59.45 3mff s ILE 12 Cb -0.08 -1.52 -0.03 0.00 0.15 0.00 0.00 42.46 40.98 3mff s ILE 12 CO -0.10 0.46 -0.15 -0.54 -2.11 0.00 0.00 174.94 172.51 3mff s LYS 13 N 1.47 0.97 0.23 3.50 -0.14 -0.28 -4.94 119.74 120.54 3mff s LYS 13 Ca 0.05 -1.14 -0.19 0.00 -1.36 0.00 0.00 55.97 53.32 3mff s LYS 13 Cb -0.13 -0.93 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 3mff s LYS 13 CO -0.11 0.19 0.73 0.50 -0.76 0.00 0.00 175.35 175.90 3mff s ARG 14 N -2.29 4.24 0.27 1.68 3.52 -1.26 -1.14 118.95 123.97 3mff s ARG 14 Ca 0.05 0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 56.22 3mff s ARG 14 Cb -0.07 -2.85 -0.14 0.00 -1.56 0.00 0.00 34.95 30.32 3mff s ARG 14 CO 0.03 0.38 1.08 0.00 -0.81 0.00 0.00 175.30 175.98 3mff n MET 15 N 0.66 1.43 0.00 5.12 0.00 -0.30 -2.49 117.12 121.54 3mff n MET 15 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 57.70 58.18 3mff n MET 15 Cb 0.51 -1.92 0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 1.35 0.91 3.88 3.17 0.00 0.57 -4.91 105.19 110.16 3mff n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.76 3.78 0.16 1.61 2.02 -1.04 -4.39 118.70 120.07 3mff s GLU 17 Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 3mff s GLU 17 Cb 0.00 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.74 3mff s GLU 17 CO 0.00 -0.01 1.13 1.21 0.02 0.00 0.00 175.26 177.61 3mff s ASN 18 N -3.12 7.21 -0.02 -0.19 2.47 -1.25 -1.00 114.94 119.03 3mff s ASN 18 Ca 0.51 2.09 0.02 0.00 0.42 0.00 0.00 52.86 55.91 3mff s ASN 18 Cb -0.10 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3mff s ASN 18 CO 0.31 -0.28 -0.09 0.54 -3.72 0.00 0.00 177.10 173.86 3mff s VAL 19 N -0.00 0.75 -0.16 -5.21 0.11 -0.12 -4.99 120.40 110.78 3mff s VAL 19 Ca 0.51 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 3mff s VAL 19 Cb -0.30 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3mff s VAL 19 CO 0.34 0.23 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.96 3mff s LEU 20 N 0.17 1.90 -0.06 2.54 2.96 -1.26 -0.97 118.68 123.97 3mff s LEU 20 Ca -0.03 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3mff s LEU 20 Cb -0.08 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3mff s LEU 20 CO 0.00 -0.02 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.19 3mff s LEU 21 N 1.37 3.25 0.04 -0.68 1.02 -0.01 -4.73 118.68 118.93 3mff s LEU 21 Ca 0.04 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.25 3mff s LEU 21 Cb -0.13 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 3mff s LEU 21 CO -0.11 0.35 -0.21 -1.61 0.02 0.00 0.00 176.35 174.78 3mff s GLU 22 N -0.96 1.43 -0.01 1.70 2.02 -0.03 -1.21 118.70 121.64 3mff s GLU 22 Ca 0.14 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.17 3mff s GLU 22 Cb -0.11 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.58 3mff s GLU 22 CO 0.03 0.40 -0.01 0.00 0.02 0.00 0.00 175.26 175.70 3mff s GLY 24 N 0.40 1.83 -0.29 0.00 0.00 0.04 -2.48 107.32 106.81 3mff s GLY 24 Ca -0.04 -1.91 -0.15 0.00 0.00 0.00 0.00 44.72 42.62 3mff s GLY 24 CO -0.01 -1.83 0.94 1.62 0.00 0.00 0.00 173.10 173.81 3mff s GLN 25 N -3.74 0.39 -0.16 2.90 -0.44 -0.63 -1.35 119.66 116.63 3mff s GLN 25 Ca 0.30 0.78 0.17 0.00 -2.50 0.00 0.00 55.36 54.11 3mff s GLN 25 Cb 0.04 0.24 0.45 0.00 -1.64 0.00 0.00 33.01 32.10 3mff s GLN 25 CO 0.12 -0.10 1.33 -0.25 0.50 0.00 0.00 175.29 176.89 3mff n ASP 26 N 4.24 3.37 -1.18 6.67 8.00 -1.24 -4.58 116.55 131.82 3mff n ASP 26 Ca -0.15 -3.04 0.12 0.00 0.71 0.00 0.00 54.79 52.43 3mff n ASP 26 Cb 0.56 -0.50 0.26 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.81 2.53 -3.20 -1.24 2.81 -1.26 -4.93 117.12 111.01 3mff n MET 27 Ca 0.19 -2.33 -0.22 0.00 -1.81 0.00 0.00 57.70 53.54 3mff n MET 27 Cb 0.81 -1.52 0.05 0.00 -0.71 0.00 0.00 33.22 31.84 3mff n MET 27 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3mff n SER 28 N 1.48 -6.08 -4.73 7.83 7.64 -1.26 -4.97 113.62 113.52 3mff n SER 28 Ca 0.21 -0.37 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 3mff n SER 28 Cb 0.59 -4.83 -0.04 0.00 -1.01 0.00 0.00 64.21 58.92 3mff n SER 28 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mff s HIS 29 N -3.22 3.76 0.04 1.43 3.76 -1.26 -4.97 115.29 114.84 3mff s HIS 29 Ca 0.39 1.75 -0.17 0.00 -0.15 0.00 0.00 55.06 56.88 3mff s HIS 29 Cb -0.17 -3.11 -0.23 0.00 1.11 0.00 0.00 32.58 30.17 3mff s HIS 29 CO 0.49 -0.02 1.15 1.05 -0.85 0.00 0.00 174.74 176.57 3mff h GLU 30 N 5.41 0.57 -5.87 1.40 9.09 -1.90 -3.46 114.58 119.81 3mff h GLU 30 Ca -0.43 -0.59 -0.59 0.00 0.05 0.00 0.00 59.36 57.79 3mff h GLU 30 Cb 1.21 0.16 -0.07 0.00 -1.65 0.00 0.00 28.75 28.41 3mff h GLU 30 CO 0.72 1.21 -0.17 0.99 0.05 0.00 0.00 179.01 181.81 3mff s THR 31 N -3.30 5.09 0.10 -1.06 2.01 -1.03 -3.82 115.64 113.63 3mff s THR 31 Ca -0.12 0.90 0.05 0.00 0.31 0.00 0.00 61.69 62.84 3mff s THR 31 Cb 0.05 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3mff s THR 31 CO 0.87 0.45 -0.12 -0.04 -0.69 0.00 0.00 174.62 175.09 3mff s MET 32 N -0.23 0.91 0.02 4.92 1.00 0.35 -1.91 119.30 124.37 3mff s MET 32 Ca 0.25 -1.16 0.02 0.00 0.00 0.00 0.00 55.69 54.80 3mff s MET 32 Cb -0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 34.83 33.92 3mff s MET 32 CO 0.12 0.14 -0.08 0.71 0.00 0.00 0.00 175.02 175.91 3mff s TYR 33 N -2.12 0.67 -0.16 -0.03 1.51 0.41 -0.48 117.35 117.16 3mff s TYR 33 Ca 0.06 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3mff s TYR 33 Cb -0.05 -0.41 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 3mff s TYR 33 CO 0.02 -0.04 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.69 3mff s TRP 34 N -0.79 2.78 0.21 2.71 0.52 -0.70 -0.75 118.94 122.93 3mff s TRP 34 Ca -0.03 -1.12 0.11 0.00 0.02 0.00 0.00 56.10 55.08 3mff s TRP 34 Cb -0.06 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 3mff s TRP 34 CO 0.00 -0.52 -0.20 0.71 0.02 0.00 0.00 176.95 176.96 3mff s TYR 35 N 0.91 2.37 0.17 -1.98 2.02 0.14 -0.74 117.35 120.23 3mff s TYR 35 Ca -0.04 -0.33 0.11 0.00 -0.37 0.00 0.00 57.07 56.45 3mff s TYR 35 Cb -0.15 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3mff s TYR 35 CO -0.02 0.54 -0.23 -0.98 -1.57 0.00 0.00 175.55 173.29 3mff s ARG 36 N -2.86 1.56 -0.13 -0.62 1.70 -0.27 -1.13 118.95 117.20 3mff s ARG 36 Ca 0.23 -1.41 -0.00 0.00 -0.47 0.00 0.00 55.73 54.08 3mff s ARG 36 Cb -0.08 -1.92 0.02 0.00 -0.57 0.00 0.00 34.95 32.41 3mff s ARG 36 CO 0.12 0.43 -0.11 -1.14 -1.08 0.00 0.00 175.30 173.52 3mff s GLN 37 N -2.45 1.91 0.10 3.89 0.74 0.60 -0.89 119.66 123.55 3mff s GLN 37 Ca 0.19 -0.43 0.09 0.00 0.05 0.00 0.00 55.36 55.27 3mff s GLN 37 Cb -0.09 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 32.11 3mff s GLN 37 CO 0.09 -0.26 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.82 3mff s ASP 38 N 1.59 2.94 -0.19 6.67 1.01 -1.24 -3.15 116.67 124.31 3mff s ASP 38 Ca 0.05 -0.68 -0.42 0.00 0.71 0.00 0.00 52.55 52.21 3mff s ASP 38 Cb -0.13 -0.20 -0.19 0.00 1.01 0.00 0.00 42.92 43.41 3mff s ASP 38 CO -0.09 0.15 1.40 -2.65 0.21 0.00 0.00 175.17 174.19 3mff n PRO 39 N 1.21 0.42 0.00 8.23 -0.02 -1.26 -2.68 135.00 140.90 3mff n PRO 39 Ca -0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3mff n PRO 39 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 2.94 1.98 3.72 -1.23 0.00 -1.26 -4.93 105.19 106.41 3mff n GLY 40 Ca 0.24 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 2.15 0.00 0.99 1.43 -1.09 -5.08 118.68 117.08 3mff s LEU 41 Ca 0.00 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 3mff s LEU 41 Cb 0.00 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3mff s LEU 41 CO 0.00 -2.69 0.00 0.61 0.23 0.00 0.00 176.35 174.50 3mff n GLY 42 N -1.21 0.85 3.62 -3.19 0.00 -1.26 -4.38 105.19 99.62 3mff n GLY 42 Ca 0.07 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 4.06 -0.22 0.99 1.43 -1.26 -3.62 118.68 120.06 3mff s LEU 43 Ca 0.00 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3mff s LEU 43 Cb 0.00 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3mff s LEU 43 CO 0.00 -0.35 0.01 -1.10 0.23 0.00 0.00 176.35 175.14 3mff s GLN 44 N 2.44 3.58 -0.10 1.70 -0.21 -0.07 -4.95 119.66 122.04 3mff s GLN 44 Ca 0.25 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 3mff s GLN 44 Cb -0.16 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 3mff s GLN 44 CO 0.09 -0.09 1.15 -1.17 -2.12 0.00 0.00 175.29 173.15 3mff s LEU 45 N 1.27 4.24 -0.17 2.90 2.96 -1.26 -1.11 118.68 127.50 3mff s LEU 45 Ca 0.04 1.68 -0.14 0.00 -0.22 0.00 0.00 54.13 55.49 3mff s LEU 45 Cb -0.15 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3mff s LEU 45 CO 0.01 -0.59 -0.07 -0.38 -1.32 0.00 0.00 176.35 174.01 3mff n ILE 46 N 4.79 1.46 -3.90 6.68 5.41 0.08 -1.07 119.36 132.82 3mff n ILE 46 Ca 0.11 0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.86 3mff n ILE 46 Cb 0.47 -2.26 -0.11 0.00 -0.71 0.00 0.00 39.64 37.03 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 -2.33 0.07 0.04 1.39 1.51 -1.21 -1.03 117.35 115.79 3mff s TYR 47 Ca -0.21 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3mff s TYR 47 Cb 0.04 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.79 3mff s TYR 47 CO 0.36 -0.19 -0.15 -1.50 -1.11 0.00 0.00 175.55 172.96 3mff s ILE 48 N -1.00 3.00 -0.15 2.71 2.07 -0.16 -1.72 121.20 125.95 3mff s ILE 48 Ca -0.11 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 3mff s ILE 48 Cb -0.06 -2.28 0.03 0.00 0.13 0.00 0.00 42.46 40.27 3mff s ILE 48 CO 0.00 0.33 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.71 3mff s SER 49 N -1.50 2.67 0.00 4.50 0.15 0.37 -0.21 113.70 119.68 3mff s SER 49 Ca 0.16 -0.52 0.24 0.00 0.70 0.00 0.00 55.95 56.52 3mff s SER 49 Cb -0.11 -1.04 0.26 0.00 -1.71 0.00 0.00 66.02 63.42 3mff s SER 49 CO 0.06 -0.11 1.25 -1.22 1.20 0.00 0.00 173.24 174.42 3mff n TYR 50 N 4.83 0.00 0.00 3.44 4.01 -0.54 -0.49 117.16 128.41 3mff n TYR 50 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3mff n TYR 50 Cb 0.49 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3mff n TYR 50 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mff n ASP 51 N -0.69 0.00 -4.65 7.72 -0.08 -1.25 -4.54 116.55 113.06 3mff n ASP 51 Ca 0.09 0.00 -0.49 0.00 -1.51 0.00 0.00 54.79 52.88 3mff n ASP 51 Cb 0.39 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.80 3mff n ASP 51 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3mff n VAL 52 N -0.06 0.08 -3.58 5.18 0.31 -1.26 -0.97 118.33 118.02 3mff n VAL 52 Ca 0.00 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.05 3mff n VAL 52 Cb 0.00 -1.35 0.03 0.00 -0.91 0.00 0.00 33.84 31.61 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 3.62 -5.11 -3.20 4.52 8.00 -0.53 -4.92 116.55 118.92 3mff n ASP 53 Ca 0.18 -0.57 -0.24 0.00 0.71 0.00 0.00 54.79 54.88 3mff n ASP 53 Cb 0.25 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.19 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 -2.69 2.29 -4.78 -2.24 7.64 -0.15 -5.09 113.62 108.61 3mff n SER 54 Ca -0.00 -3.20 -0.36 0.00 1.01 0.00 0.00 58.87 56.32 3mff n SER 54 Cb 0.55 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.34 6.41 -0.03 6.43 0.02 -1.26 -1.46 114.94 122.70 3mff s ASN 55 Ca 0.41 0.48 0.06 0.00 -1.02 0.00 0.00 52.86 52.79 3mff s ASN 55 Cb 0.23 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 39.35 3mff s ASN 55 CO -0.08 0.23 -0.20 -0.55 0.02 0.00 0.00 177.10 176.51 3mff s SER 56 N -0.14 2.44 0.38 -1.22 0.15 0.71 -5.00 113.70 111.02 3mff s SER 56 Ca 0.15 -0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.13 3mff s SER 56 Cb -0.13 -0.50 -0.11 0.00 -1.71 0.00 0.00 66.02 63.58 3mff s SER 56 CO 0.04 0.21 1.46 -1.61 1.20 0.00 0.00 173.24 174.54 3mff s GLU 57 N -0.23 4.08 0.00 5.44 2.02 -1.26 -0.99 118.70 127.76 3mff s GLU 57 Ca 0.01 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.52 3mff s GLU 57 Cb -0.10 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3mff s GLU 57 CO 0.01 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.17 3mff n GLY 58 N 0.51 1.31 0.11 -1.39 0.00 -0.19 -4.71 105.19 100.81 3mff n GLY 58 Ca 0.01 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 -2.11 1.61 3.32 -1.32 -3.39 116.42 114.53 3mff h ASP 59 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3mff h ASP 59 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 3mff h ASP 59 CO 0.00 0.69 -0.97 2.30 -1.72 0.00 0.00 179.24 179.54 3mff n ILE 60 N -3.31 1.04 0.38 0.35 -5.35 -1.07 -4.93 119.36 106.46 3mff n ILE 60 Ca 0.01 -4.93 0.13 0.00 -0.27 0.00 0.00 62.75 57.70 3mff n ILE 60 Cb 0.80 -0.85 0.40 0.00 -1.74 0.00 0.00 39.64 38.25 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 3.11 0.00 -6.35 6.28 0.13 -1.77 -3.43 132.00 129.97 3mff h PRO 61 Ca 0.11 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.69 3mff h PRO 61 Cb 0.79 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.94 3mff h PRO 61 CO 0.62 0.00 1.19 1.63 -0.23 0.00 0.00 178.00 181.22 3mff n LYS 62 N -2.72 2.71 -0.19 0.86 4.01 -1.26 -1.92 118.16 119.66 3mff n LYS 62 Ca 0.03 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.83 3mff n LYS 62 Cb 0.40 -2.92 0.00 0.00 -0.51 0.00 0.00 35.03 32.00 3mff n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mff n GLY 63 N 4.49 0.83 3.16 0.72 0.00 -1.26 -5.07 105.19 108.06 3mff n GLY 63 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.09 1.17 0.09 1.61 2.02 -0.81 -4.41 117.35 114.94 3mff s TYR 64 Ca 0.00 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3mff s TYR 64 Cb 0.00 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3mff s TYR 64 CO 0.00 0.05 -0.09 0.50 -1.57 0.00 0.00 175.55 174.44 3mff s ARG 65 N -1.70 0.80 0.06 -0.62 3.52 0.28 -4.99 118.95 116.29 3mff s ARG 65 Ca -0.02 -1.16 0.03 0.00 -0.13 0.00 0.00 55.73 54.44 3mff s ARG 65 Cb -0.10 -0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 32.87 3mff s ARG 65 CO 0.02 0.04 -0.10 0.08 -0.81 0.00 0.00 175.30 174.54 3mff s VAL 66 N -2.68 0.75 -0.09 7.11 1.01 -1.26 -0.33 120.40 124.90 3mff s VAL 66 Ca 0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 3mff s VAL 66 Cb -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.51 3mff s VAL 66 CO -0.01 -0.39 0.02 -0.55 0.00 0.00 0.00 175.10 174.16 3mff s SER 67 N -1.82 1.78 -0.45 3.32 0.15 -0.83 -5.00 113.70 110.84 3mff s SER 67 Ca -0.05 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.42 3mff s SER 67 Cb -0.08 -0.41 0.13 0.00 -1.71 0.00 0.00 66.02 63.95 3mff s SER 67 CO 0.01 -0.23 0.22 -0.60 1.20 0.00 0.00 173.24 173.83 3mff s ARG 68 N 1.99 1.56 -0.08 5.44 6.06 -1.26 -1.20 118.95 131.47 3mff s ARG 68 Ca 0.04 -2.19 0.18 0.00 -2.50 0.00 0.00 55.73 51.26 3mff s ARG 68 Cb -0.13 -2.82 -0.27 0.00 0.06 0.00 0.00 34.95 31.80 3mff s ARG 68 CO -0.06 -1.10 0.29 1.63 -2.50 0.00 0.00 175.30 173.56 3mff n LYS 69 N 3.52 0.77 -4.40 5.12 4.76 -1.26 -1.45 118.16 125.21 3mff n LYS 69 Ca 0.06 -0.12 -0.25 0.00 -2.87 0.00 0.00 58.31 55.13 3mff n LYS 69 Cb 0.35 -1.45 -0.11 0.00 -1.84 0.00 0.00 35.03 31.98 3mff n LYS 69 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mff s LYS 70 N -3.01 1.46 0.32 1.97 1.02 -1.26 -4.95 119.74 115.30 3mff s LYS 70 Ca -0.07 -1.52 0.08 0.00 0.02 0.00 0.00 55.97 54.47 3mff s LYS 70 Cb 0.10 -1.67 0.55 0.00 -0.52 0.00 0.00 37.83 36.29 3mff s LYS 70 CO 0.76 0.35 1.76 -0.09 -0.92 0.00 0.00 175.35 177.21 3mff h ARG 71 N 3.09 0.20 0.00 1.68 2.43 -1.93 -3.19 114.38 116.66 3mff h ARG 71 Ca -0.44 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3mff h ARG 71 Cb 1.21 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3mff h ARG 71 CO 0.50 0.54 -0.05 1.05 -1.51 0.00 0.00 179.97 180.51 3mff h GLU 72 N 0.18 0.00 -6.73 0.20 4.11 -1.88 -3.46 114.58 107.00 3mff h GLU 72 Ca 0.02 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.79 3mff h GLU 72 Cb 0.71 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.75 3mff h GLU 72 CO 0.05 0.00 -0.86 -1.01 0.07 0.00 0.00 179.01 177.27 3mff s HIS 73 N -3.20 2.20 -0.07 2.06 3.76 -1.21 -1.60 115.29 117.24 3mff s HIS 73 Ca 0.07 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 3mff s HIS 73 Cb 0.06 -1.18 0.04 0.00 1.11 0.00 0.00 32.58 32.61 3mff s HIS 73 CO 0.66 0.33 0.13 0.12 -0.85 0.00 0.00 174.74 175.14 3mff s PHE 74 N -1.16 -0.12 -0.13 1.40 5.36 -1.04 -4.45 117.98 117.85 3mff s PHE 74 Ca 0.13 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 56.58 3mff s PHE 74 Cb -0.10 -0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.27 3mff s PHE 74 CO 0.06 -0.23 -0.00 -1.12 -1.46 0.00 0.00 175.22 172.46 3mff s SER 75 N 2.07 5.15 -0.16 6.13 0.01 -0.34 -2.75 113.70 123.81 3mff s SER 75 Ca 0.01 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 3mff s SER 75 Cb -0.12 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 3mff s SER 75 CO -0.05 0.27 -0.02 -0.22 0.41 0.00 0.00 173.24 173.63 3mff s LEU 76 N -0.26 3.31 -0.10 2.44 2.96 -0.35 -1.97 118.68 124.70 3mff s LEU 76 Ca 0.06 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3mff s LEU 76 Cb -0.12 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.77 3mff s LEU 76 CO 0.02 0.16 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.39 3mff s ILE 77 N 0.44 1.69 -0.27 6.68 -1.09 0.55 -0.83 121.20 128.37 3mff s ILE 77 Ca -0.03 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.55 3mff s ILE 77 Cb -0.14 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 3mff s ILE 77 CO 0.03 0.48 0.05 -0.76 -1.23 0.00 0.00 174.94 173.50 3mff s LEU 78 N 0.72 3.59 0.22 2.97 1.43 -0.14 -0.56 118.68 126.91 3mff s LEU 78 Ca -0.11 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3mff s LEU 78 Cb -0.16 -1.85 0.20 0.00 0.03 0.00 0.00 46.19 44.41 3mff s LEU 78 CO 0.02 -0.14 1.56 0.44 0.23 0.00 0.00 176.35 178.46 3mff h ASP 79 N 8.20 0.51 -1.93 2.29 3.32 -1.85 -0.29 116.42 126.67 3mff h ASP 79 Ca -0.34 -0.26 -0.30 0.00 0.02 0.00 0.00 57.03 56.15 3mff h ASP 79 Cb 1.14 -0.15 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 3mff h ASP 79 CO 0.60 0.93 -0.63 -0.55 -1.72 0.00 0.00 179.24 177.87 3mff s SER 80 N -6.89 1.06 0.30 6.45 0.15 -1.25 -3.92 113.70 109.59 3mff s SER 80 Ca -0.06 -1.01 -0.29 0.00 0.70 0.00 0.00 55.95 55.29 3mff s SER 80 Cb 0.12 0.72 -0.10 0.00 -1.71 0.00 0.00 66.02 65.04 3mff s SER 80 CO 0.82 -0.32 1.40 0.00 1.20 0.00 0.00 173.24 176.34 3mff s ALA 81 N 2.01 3.57 0.15 5.45 0.00 -0.17 -4.63 121.76 128.14 3mff s ALA 81 Ca 0.13 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.50 3mff s ALA 81 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3mff s ALA 81 CO -0.20 -0.76 0.02 0.15 0.00 0.00 0.00 175.76 174.98 3mff s LYS 82 N -1.16 2.52 0.42 0.00 1.02 -1.26 -0.32 119.74 120.96 3mff s LYS 82 Ca 0.55 -1.00 0.10 0.00 0.02 0.00 0.00 55.97 55.64 3mff s LYS 82 Cb -0.42 -2.45 0.93 0.00 -0.52 0.00 0.00 37.83 35.37 3mff s LYS 82 CO 0.50 0.48 2.01 1.79 -0.92 0.00 0.00 175.35 179.21 3mff h THR 83 N 2.50 0.99 0.00 2.17 1.35 -1.93 -1.09 112.91 116.90 3mff h THR 83 Ca -0.47 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3mff h THR 83 Cb 1.19 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3mff h THR 83 CO 0.59 0.09 0.00 -0.46 -0.25 0.00 0.00 175.52 175.49 3mff n ASN 84 N -4.47 0.00 -1.07 5.36 0.23 -1.26 -1.35 115.26 112.70 3mff n ASN 84 Ca 0.07 -1.29 0.12 0.00 -0.53 0.00 0.00 54.58 52.95 3mff n ASN 84 Cb 0.23 0.00 0.19 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 -0.65 2.42 -1.67 -3.83 6.02 -0.41 -4.89 117.38 114.37 3mff n GLN 85 Ca 0.06 -2.12 -0.42 0.00 -0.01 0.00 0.00 57.00 54.51 3mff n GLN 85 Cb 0.03 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 3mff n GLN 85 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3mff n THR 86 N 1.39 0.67 -3.97 5.09 -1.04 -0.46 -4.81 114.28 111.15 3mff n THR 86 Ca 0.18 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 62.09 3mff n THR 86 Cb 0.59 -2.27 0.01 0.00 -1.82 0.00 0.00 70.33 66.85 3mff n THR 86 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mff n SER 87 N 7.05 -1.05 -4.37 8.00 2.88 -0.39 -4.98 113.62 120.76 3mff n SER 87 Ca 0.20 -1.26 -0.35 0.00 -1.33 0.00 0.00 58.87 56.13 3mff n SER 87 Cb 0.40 1.64 -0.13 0.00 -0.75 0.00 0.00 64.21 65.36 3mff n SER 87 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3mff s VAL 88 N -2.05 3.58 -0.18 2.46 1.01 -1.19 -0.87 120.40 123.17 3mff s VAL 88 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3mff s VAL 88 Cb -0.01 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3mff s VAL 88 CO -0.00 0.43 0.04 -0.31 0.00 0.00 0.00 175.10 175.26 3mff s TYR 89 N 1.21 3.18 -0.10 5.22 2.02 0.34 -0.29 117.35 128.92 3mff s TYR 89 Ca 0.03 -0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 3mff s TYR 89 Cb -0.14 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 3mff s TYR 89 CO -0.00 0.06 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.75 3mff s PHE 90 N 0.49 2.48 0.31 2.71 0.08 -0.29 -0.77 117.98 122.99 3mff s PHE 90 Ca 0.01 -1.05 0.03 0.00 0.12 0.00 0.00 56.93 56.05 3mff s PHE 90 Cb -0.13 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3mff s PHE 90 CO 0.01 -0.44 0.47 0.00 -0.10 0.00 0.00 175.22 175.17 3mff s ALA 92 N -2.18 0.19 0.06 0.00 0.00 0.07 -0.77 121.76 119.13 3mff s ALA 92 Ca 0.39 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3mff s ALA 92 Cb -0.09 1.15 -0.00 0.00 0.00 0.00 0.00 23.12 24.17 3mff s ALA 92 CO 0.32 -0.76 0.16 -1.54 0.00 0.00 0.00 175.76 173.94 3mff s SER 93 N -3.06 0.12 0.10 0.00 1.04 -0.53 -0.44 113.70 110.93 3mff s SER 93 Ca 0.27 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.07 3mff s SER 93 Cb 0.02 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3mff s SER 93 CO 0.09 -0.62 0.20 -0.94 0.98 0.00 0.00 173.24 172.95 3mff s SER 94 N -2.44 0.12 -0.59 7.02 1.04 -0.80 -0.43 113.70 117.61 3mff s SER 94 Ca -0.00 -0.72 -0.28 0.00 0.48 0.00 0.00 55.95 55.43 3mff s SER 94 Cb 0.02 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.51 3mff s SER 94 CO -0.07 -0.76 1.38 -0.22 0.98 0.00 0.00 173.24 174.55 3mff s LEU 95 N -2.89 3.37 0.36 2.42 2.96 -1.26 -2.46 118.68 121.18 3mff s LEU 95 Ca 0.08 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 3mff s LEU 95 Cb 0.05 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.77 3mff s LEU 95 CO -0.08 -1.73 0.00 0.00 -1.32 0.00 0.00 176.35 173.22 3mff n ALA 96 N 9.53 -1.99 1.29 5.97 0.00 -1.26 -4.86 120.51 129.19 3mff n ALA 96 Ca 0.11 0.48 0.13 0.00 0.00 0.00 0.00 53.44 54.16 3mff n ALA 96 Cb 0.49 -0.96 0.35 0.00 0.00 0.00 0.00 19.45 19.33 3mff n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mff n GLY 97 N -3.05 0.10 3.82 0.00 0.00 -1.26 -4.65 105.19 100.16 3mff n GLY 97 Ca -0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 3mff n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mff s THR 98 N -2.14 3.18 0.29 2.61 -4.23 -1.26 -4.96 115.64 109.12 3mff s THR 98 Ca 0.31 0.38 0.28 0.00 -1.18 0.00 0.00 61.69 61.49 3mff s THR 98 Cb 0.20 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 71.15 3mff s THR 98 CO 0.39 -0.50 1.99 1.23 -0.54 0.00 0.00 174.62 177.19 3mff h GLY 99 N -0.98 0.00 2.00 3.99 0.00 -2.01 -3.13 103.07 102.94 3mff h GLY 99 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3mff h GLY 99 CO 0.60 0.00 0.00 3.43 0.00 0.00 0.00 176.54 180.57 3mff h ASN 100 N 0.00 0.00 -2.89 0.19 4.21 -1.96 -3.43 115.58 111.71 3mff h ASN 100 Ca -0.00 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.88 3mff h ASN 100 Cb 0.48 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.62 3mff h ASN 100 CO 0.02 0.00 -0.32 -0.31 -1.29 0.00 0.00 177.43 175.52 3mff s TYR 101 N -3.62 3.66 0.22 1.19 1.51 -1.19 -5.04 117.35 114.07 3mff s TYR 101 Ca -0.01 0.77 -0.32 0.00 -1.01 0.00 0.00 57.07 56.51 3mff s TYR 101 Cb 0.08 -2.15 -0.12 0.00 -0.11 0.00 0.00 41.96 39.66 3mff s TYR 101 CO 0.31 0.65 1.71 -2.00 -1.11 0.00 0.00 175.55 175.12 3mff s GLU 102 N -0.93 4.12 -0.16 -0.62 2.12 -1.26 -4.97 118.70 116.99 3mff s GLU 102 Ca 0.20 2.62 -0.15 0.00 0.36 0.00 0.00 54.97 57.99 3mff s GLU 102 Cb -0.14 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3mff s GLU 102 CO 0.09 -0.74 0.36 -0.65 -0.54 0.00 0.00 175.26 173.78 3mff s GLN 103 N 0.93 4.25 -0.27 4.30 -0.21 -1.26 -4.37 119.66 123.03 3mff s GLN 103 Ca 0.73 0.20 -0.11 0.00 0.02 0.00 0.00 55.36 56.21 3mff s GLN 103 Cb -0.50 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 3mff s GLN 103 CO 0.34 0.14 0.18 0.71 -2.12 0.00 0.00 175.29 174.54 3mff s TYR 104 N 0.76 3.21 0.02 0.91 2.02 0.42 -4.91 117.35 119.78 3mff s TYR 104 Ca 0.19 0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 56.88 3mff s TYR 104 Cb -0.14 -2.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3mff s TYR 104 CO 0.06 -0.17 0.29 -0.06 -1.57 0.00 0.00 175.55 174.10 3mff s PHE 105 N 1.72 3.59 1.13 2.71 0.08 -1.26 -1.45 117.98 124.48 3mff s PHE 105 Ca 0.07 0.63 -0.16 0.00 0.12 0.00 0.00 56.93 57.58 3mff s PHE 105 Cb -0.16 -2.03 0.25 0.00 -0.57 0.00 0.00 43.02 40.51 3mff s PHE 105 CO 0.10 0.60 1.09 0.20 -0.10 0.00 0.00 175.22 177.12 3mff s GLY 106 N -1.66 1.57 0.00 4.36 0.00 0.05 -4.60 107.32 107.03 3mff s GLY 106 Ca 0.28 -0.68 0.26 0.00 0.00 0.00 0.00 44.72 44.58 3mff s GLY 106 CO 0.16 0.10 1.87 -1.55 0.00 0.00 0.00 173.10 173.68 3mff n PRO 107 N -4.56 0.39 0.00 2.90 -0.04 -1.26 -4.81 135.00 127.63 3mff n PRO 107 Ca 0.09 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3mff n PRO 107 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.89 1.08 3.14 0.55 0.00 -1.26 -5.00 105.19 104.59 3mff n GLY 108 Ca 0.13 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.52 1.96 -0.41 2.61 2.01 0.05 -4.65 115.64 114.68 3mff s THR 109 Ca 0.00 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 3mff s THR 109 Cb 0.00 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.78 3mff s THR 109 CO 0.00 0.53 0.59 -0.13 -0.69 0.00 0.00 174.62 174.92 3mff s ARG 110 N 0.91 3.37 -0.18 4.92 0.52 -0.14 -0.50 118.95 127.84 3mff s ARG 110 Ca -0.05 -0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 3mff s ARG 110 Cb -0.15 -3.91 -0.03 0.00 0.52 0.00 0.00 34.95 31.38 3mff s ARG 110 CO -0.03 -0.89 -0.01 -1.17 0.02 0.00 0.00 175.30 173.22 3mff s LEU 111 N 2.65 3.34 -0.20 2.53 2.96 -0.05 -1.63 118.68 128.29 3mff s LEU 111 Ca 0.21 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3mff s LEU 111 Cb -0.15 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3mff s LEU 111 CO 0.17 0.13 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.36 3mff s THR 112 N 0.60 3.20 -0.22 3.68 2.01 0.03 -1.26 115.64 123.68 3mff s THR 112 Ca -0.01 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3mff s THR 112 Cb -0.14 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3mff s THR 112 CO 0.02 0.46 0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 3mff s VAL 113 N 1.21 4.12 0.11 3.82 1.01 -1.26 -1.13 120.40 128.27 3mff s VAL 113 Ca 0.02 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.85 3mff s VAL 113 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3mff s VAL 113 CO -0.02 0.39 -0.25 0.28 0.00 0.00 0.00 175.10 175.49 3mff s THR 114 N 1.30 2.07 0.27 3.92 -1.32 -0.29 -4.36 115.64 117.24 3mff s THR 114 Ca 0.04 -1.63 -0.01 0.00 -1.21 0.00 0.00 61.69 58.88 3mff s THR 114 Cb -0.15 -1.83 0.11 0.00 -1.51 0.00 0.00 72.50 69.12 3mff s THR 114 CO 0.02 0.09 1.77 -0.33 -2.21 0.00 0.00 174.62 173.95 3mff h GLU 115 N 4.09 0.73 -2.82 7.08 3.07 -1.96 -0.79 114.58 123.98 3mff h GLU 115 Ca -0.49 -0.20 -0.13 0.00 -0.50 0.00 0.00 59.36 58.05 3mff h GLU 115 Cb 1.17 -0.08 -0.24 0.00 -0.84 0.00 0.00 28.75 28.76 3mff h GLU 115 CO 0.40 0.77 -0.26 0.34 -1.40 0.00 0.00 179.01 178.86 3mff s ASP 116 N -6.67 -0.38 0.25 1.42 -1.08 -1.26 -4.66 116.67 104.29 3mff s ASP 116 Ca -0.09 0.69 0.22 0.00 -0.52 0.00 0.00 52.55 52.85 3mff s ASP 116 Cb 0.15 0.72 0.98 0.00 -1.46 0.00 0.00 42.92 43.31 3mff s ASP 116 CO 0.80 -0.18 1.67 0.18 0.52 0.00 0.00 175.17 178.17 3mff n LEU 117 N 2.65 0.60 0.00 -1.34 4.77 -1.26 -1.77 117.00 120.64 3mff n LEU 117 Ca -0.14 0.67 0.04 0.00 -0.03 0.00 0.00 56.01 56.55 3mff n LEU 117 Cb 0.57 -0.62 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 3mff n LEU 117 CO 0.15 -0.62 0.63 2.29 -1.33 0.00 0.00 177.39 178.51 3mff n LYS 118 N -2.19 0.02 0.00 3.23 2.85 -1.26 -1.13 118.16 119.69 3mff n LYS 118 Ca 0.01 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 3mff n LYS 118 Cb 0.18 -1.50 0.53 0.00 -0.65 0.00 0.00 35.03 33.59 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 -1.46 0.00 -4.71 -5.58 3.02 -0.73 -4.83 115.26 100.97 3mff n ASN 119 Ca 0.03 0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 54.64 3mff n ASN 119 Cb 0.10 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.73 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 -2.96 5.14 -0.02 2.41 1.01 -0.28 -4.64 120.40 121.05 3mff s VAL 120 Ca 0.13 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 3mff s VAL 120 Cb 0.16 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3mff s VAL 120 CO 0.44 0.28 0.04 -0.36 0.00 0.00 0.00 175.10 175.50 3mff s PHE 121 N 0.85 -0.02 0.76 5.22 0.08 -0.23 -4.77 117.98 119.87 3mff s PHE 121 Ca 0.28 0.15 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 3mff s PHE 121 Cb -0.16 -0.13 0.05 0.00 -0.57 0.00 0.00 43.02 42.21 3mff s PHE 121 CO 0.12 -0.07 1.10 -1.25 -0.10 0.00 0.00 175.22 175.01 3mff s PRO 122 N 0.70 2.43 0.53 0.24 0.04 -1.26 -1.22 135.00 136.45 3mff s PRO 122 Ca -0.06 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 3mff s PRO 122 Cb -0.08 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 3mff s PRO 122 CO -0.02 -1.36 1.01 -1.25 0.04 0.00 0.00 177.00 175.42 3mff s PRO 123 N -5.25 3.77 0.05 0.56 0.04 -1.26 -4.30 135.00 128.61 3mff s PRO 123 Ca 0.60 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 3mff s PRO 123 Cb -0.13 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 3mff s PRO 123 CO 0.53 -0.43 0.41 -1.21 0.04 0.00 0.00 177.00 176.33 3mff s GLU 124 N -3.86 3.82 -0.04 4.56 2.02 0.14 -4.91 118.70 120.44 3mff s GLU 124 Ca 0.62 0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.92 3mff s GLU 124 Cb -0.13 -3.08 -0.00 0.00 0.10 0.00 0.00 34.13 31.03 3mff s GLU 124 CO 0.29 0.61 -0.16 0.08 0.02 0.00 0.00 175.26 176.10 3mff s VAL 125 N -1.28 1.35 -0.00 2.63 1.01 -1.26 -1.16 120.40 121.69 3mff s VAL 125 Ca 0.30 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3mff s VAL 125 Cb -0.15 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3mff s VAL 125 CO 0.16 0.39 -0.03 0.00 0.00 0.00 0.00 175.10 175.63 3mff s ALA 126 N 0.04 0.26 -0.14 5.51 0.00 -0.83 -4.60 121.76 122.00 3mff s ALA 126 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 3mff s ALA 126 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3mff s ALA 126 CO 0.02 0.05 -0.04 0.08 0.00 0.00 0.00 175.76 175.87 3mff s VAL 127 N -0.00 3.91 -0.16 0.00 1.01 -1.26 -1.18 120.40 122.72 3mff s VAL 127 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3mff s VAL 127 Cb -0.02 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3mff s VAL 127 CO -0.00 0.51 0.02 -0.36 0.00 0.00 0.00 175.10 175.27 3mff s PHE 128 N 0.13 3.15 0.45 5.22 0.08 0.12 -4.99 117.98 122.15 3mff s PHE 128 Ca -0.01 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.77 3mff s PHE 128 Cb -0.14 -2.00 -0.10 0.00 -0.57 0.00 0.00 43.02 40.22 3mff s PHE 128 CO 0.03 0.12 1.00 -1.21 -0.10 0.00 0.00 175.22 175.06 3mff s GLU 129 N 0.20 4.03 0.53 0.44 2.02 -1.26 -2.45 118.70 122.22 3mff s GLU 129 Ca 0.01 1.26 -0.22 0.00 0.02 0.00 0.00 54.97 56.04 3mff s GLU 129 Cb -0.13 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 3mff s GLU 129 CO 0.02 -0.22 1.27 -2.30 0.02 0.00 0.00 175.26 174.05 3mff n PRO 130 N -0.75 1.59 -2.05 0.39 -0.02 -1.25 -4.87 135.00 128.04 3mff n PRO 130 Ca 0.08 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3mff n PRO 130 Cb 0.53 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.91 6.70 0.54 2.55 0.15 -1.26 -4.93 113.70 116.55 3mff s SER 131 Ca 0.71 2.44 0.22 0.00 0.70 0.00 0.00 55.95 60.01 3mff s SER 131 Cb -0.43 -2.58 1.44 0.00 -1.71 0.00 0.00 66.02 62.74 3mff s SER 131 CO 0.50 -0.76 2.14 -0.08 1.20 0.00 0.00 173.24 176.25 3mff h GLU 132 N 7.15 0.00 -0.55 5.44 4.57 -1.98 -2.17 114.58 127.03 3mff h GLU 132 Ca -0.42 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.66 3mff h GLU 132 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3mff h GLU 132 CO 0.90 0.00 -0.06 0.00 -1.18 0.00 0.00 179.01 178.66 3mff h ALA 133 N 1.94 0.85 -0.25 2.92 0.00 -1.99 -0.78 119.26 121.94 3mff h ALA 133 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3mff h ALA 133 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mff h ALA 133 CO -0.00 0.66 0.10 1.49 0.00 0.00 0.00 179.25 181.50 3mff h GLU 134 N 0.90 0.38 -0.44 0.00 4.81 -1.74 -1.96 114.58 116.53 3mff h GLU 134 Ca 0.15 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3mff h GLU 134 Cb 0.61 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 3mff h GLU 134 CO 0.04 0.42 0.13 0.82 -0.73 0.00 0.00 179.01 179.69 3mff h ILE 135 N 0.26 0.82 -0.51 2.32 2.04 -1.32 -0.58 117.51 120.54 3mff h ILE 135 Ca 0.08 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3mff h ILE 135 Cb 0.18 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3mff h ILE 135 CO -0.01 0.05 0.12 -1.28 0.00 0.00 0.00 178.15 177.03 3mff h SER 136 N 0.28 0.73 0.69 1.72 0.87 -1.07 -0.45 113.55 116.31 3mff h SER 136 Ca 0.21 -0.13 -0.26 0.00 -1.23 0.00 0.00 61.79 60.38 3mff h SER 136 Cb 0.23 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3mff h SER 136 CO -0.24 0.72 -1.34 -0.74 -0.53 0.00 0.00 176.83 174.70 3mff h HIS 137 N 0.75 0.19 0.00 2.24 -0.00 -0.98 -3.41 115.15 113.95 3mff h HIS 137 Ca 0.17 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3mff h HIS 137 Cb 0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3mff h HIS 137 CO 0.02 1.15 -0.41 0.25 -0.00 0.00 0.00 177.93 178.93 3mff n THR 138 N -3.33 0.00 -2.08 6.26 -2.24 -0.26 -5.03 114.28 107.60 3mff n THR 138 Ca -0.10 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.35 3mff n THR 138 Cb 1.00 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.92 -1.40 -4.13 -0.78 1.13 -0.18 -5.01 117.38 106.08 3mff n GLN 139 Ca 0.00 0.97 -0.09 0.00 -1.94 0.00 0.00 57.00 55.94 3mff n GLN 139 Cb 0.00 -5.41 -0.10 0.00 0.11 0.00 0.00 30.24 24.84 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 -4.47 0.73 -0.07 -1.09 1.02 -1.26 -1.11 119.74 113.50 3mff s LYS 140 Ca 0.00 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 54.70 3mff s LYS 140 Cb 0.00 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.31 3mff s LYS 140 CO 0.00 -0.06 0.04 0.00 -0.92 0.00 0.00 175.35 174.41 3mff s ALA 141 N -3.70 0.47 -0.28 5.17 0.00 0.12 -3.26 121.76 120.28 3mff s ALA 141 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 3mff s ALA 141 Cb 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3mff s ALA 141 CO -0.07 -0.54 0.08 0.99 0.00 0.00 0.00 175.76 176.22 3mff s THR 142 N 2.07 4.11 0.26 0.00 2.01 -1.26 -1.28 115.64 121.55 3mff s THR 142 Ca 0.05 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 3mff s THR 142 Cb -0.12 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 3mff s THR 142 CO -0.04 0.18 0.64 -0.76 -0.69 0.00 0.00 174.62 173.94 3mff s LEU 143 N 1.55 4.15 -0.05 4.42 1.02 0.13 -3.84 118.68 126.05 3mff s LEU 143 Ca 0.04 1.11 0.06 0.00 0.02 0.00 0.00 54.13 55.36 3mff s LEU 143 Cb -0.16 -3.81 -0.01 0.00 0.02 0.00 0.00 46.19 42.23 3mff s LEU 143 CO 0.03 -0.11 -0.22 -0.69 0.02 0.00 0.00 176.35 175.38 3mff s VAL 144 N -1.84 1.83 -0.14 -1.59 1.01 -1.02 -1.03 120.40 117.61 3mff s VAL 144 Ca 0.49 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3mff s VAL 144 Cb -0.11 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3mff s VAL 144 CO 0.19 0.51 -0.02 0.00 0.00 0.00 0.00 175.10 175.79 3mff s LEU 146 N 0.02 2.41 -0.25 0.00 1.43 -0.33 -1.35 118.68 120.63 3mff s LEU 146 Ca 0.01 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3mff s LEU 146 Cb -0.13 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3mff s LEU 146 CO 0.02 0.01 0.08 0.00 0.23 0.00 0.00 176.35 176.70 3mff s ALA 147 N 1.25 3.23 0.11 4.21 0.00 0.19 -1.97 121.76 128.78 3mff s ALA 147 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3mff s ALA 147 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3mff s ALA 147 CO -0.08 -0.42 -0.09 0.95 0.00 0.00 0.00 175.76 176.12 3mff s THR 148 N 1.49 0.95 -0.05 0.00 -4.23 -0.31 -0.32 115.64 113.17 3mff s THR 148 Ca 0.06 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3mff s THR 148 Cb -0.15 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.14 3mff s THR 148 CO 0.04 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 3mff n GLY 149 N 0.24 0.47 3.91 3.99 0.00 -0.54 -0.68 105.19 112.58 3mff n GLY 149 Ca -0.14 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.99 3.50 -0.19 1.61 -0.12 -1.01 -4.66 117.98 115.11 3mff s PHE 150 Ca 0.00 0.37 -0.12 0.00 -0.05 0.00 0.00 56.93 57.12 3mff s PHE 150 Cb 0.00 -1.86 0.06 0.00 -0.63 0.00 0.00 43.02 40.59 3mff s PHE 150 CO 0.00 0.51 0.48 -0.47 -0.05 0.00 0.00 175.22 175.69 3mff s TYR 151 N -1.61 -0.68 1.02 3.49 5.04 -0.36 0.13 117.35 124.38 3mff s TYR 151 Ca 0.38 1.46 -0.17 0.00 -2.44 0.00 0.00 57.07 56.30 3mff s TYR 151 Cb -0.12 0.32 0.24 0.00 0.35 0.00 0.00 41.96 42.75 3mff s TYR 151 CO 0.27 -0.36 1.25 -0.35 -1.34 0.00 0.00 175.55 175.01 3mff n PRO 152 N 3.94 -1.75 -0.53 4.97 -0.04 -1.26 -1.06 135.00 139.26 3mff n PRO 152 Ca -0.20 -1.94 -0.02 0.00 -0.04 0.00 0.00 63.50 61.30 3mff n PRO 152 Cb 0.56 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 3mff n PRO 152 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3mff n ASP 153 N -4.10 4.95 -4.30 3.54 5.75 -1.26 -4.73 116.55 116.40 3mff n ASP 153 Ca 0.16 -2.32 -0.45 0.00 -0.01 0.00 0.00 54.79 52.17 3mff n ASP 153 Cb 0.57 -1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 39.55 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 0.29 3.92 0.06 2.11 3.76 -1.26 -4.87 115.29 119.30 3mff s HIS 154 Ca 0.09 -2.38 0.01 0.00 -0.15 0.00 0.00 55.06 52.63 3mff s HIS 154 Cb 0.04 -3.73 -0.03 0.00 1.11 0.00 0.00 32.58 29.97 3mff s HIS 154 CO 0.00 -0.94 -0.05 0.14 -0.85 0.00 0.00 174.74 173.03 3mff s VAL 155 N -0.47 0.45 -0.10 -0.90 -7.23 -1.26 -1.48 120.40 109.41 3mff s VAL 155 Ca 0.23 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3mff s VAL 155 Cb -0.11 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.64 3mff s VAL 155 CO -0.08 -0.75 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.28 3mff s GLU 156 N -3.05 1.37 -0.15 4.82 2.02 0.20 -4.98 118.70 118.94 3mff s GLU 156 Ca 0.02 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 3mff s GLU 156 Cb 0.01 -1.46 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 3mff s GLU 156 CO -0.05 -0.25 0.15 -1.17 0.02 0.00 0.00 175.26 173.96 3mff s LEU 157 N 1.66 4.32 0.06 1.80 0.20 -1.26 -1.54 118.68 123.92 3mff s LEU 157 Ca 0.03 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.23 3mff s LEU 157 Cb -0.13 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 3mff s LEU 157 CO -0.07 0.32 -0.02 -0.94 -0.29 0.00 0.00 176.35 175.35 3mff s SER 158 N -0.49 0.47 -0.06 3.68 1.04 0.53 -4.99 113.70 113.88 3mff s SER 158 Ca 0.13 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.58 3mff s SER 158 Cb -0.12 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3mff s SER 158 CO 0.02 -0.61 -0.10 0.26 0.98 0.00 0.00 173.24 173.79 3mff s TRP 159 N -3.92 2.84 -0.13 5.02 0.52 -1.26 0.40 118.94 122.40 3mff s TRP 159 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.13 3mff s TRP 159 Cb 0.08 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.73 3mff s TRP 159 CO -0.09 0.26 -0.12 -1.58 0.02 0.00 0.00 176.95 175.43 3mff s TRP 160 N -0.73 1.91 -0.19 -1.98 0.52 0.12 -1.55 118.94 117.05 3mff s TRP 160 Ca 0.11 -1.01 -0.00 0.00 0.02 0.00 0.00 56.10 55.22 3mff s TRP 160 Cb -0.11 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 3mff s TRP 160 CO 0.01 -0.58 -0.16 0.08 0.02 0.00 0.00 176.95 176.31 3mff s VAL 161 N 1.46 2.35 -1.45 4.03 1.01 0.71 -0.27 120.40 128.24 3mff s VAL 161 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3mff s VAL 161 Cb -0.13 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3mff s VAL 161 CO -0.08 0.51 0.94 0.59 0.00 0.00 0.00 175.10 177.05 3mff n ASN 162 N 4.66 -6.01 0.00 3.32 3.02 -0.48 -2.03 115.26 117.73 3mff n ASN 162 Ca -0.20 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3mff n ASN 162 Cb 0.50 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -1.78 0.78 3.20 7.41 0.00 -1.26 -5.03 105.19 108.52 3mff n GLY 163 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3mff n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mff s LYS 164 N -0.07 1.93 0.24 1.61 1.02 -0.86 -5.09 119.74 118.53 3mff s LYS 164 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3mff s LYS 164 Cb 0.00 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.48 3mff s LYS 164 CO 0.00 0.36 1.32 -2.00 -0.92 0.00 0.00 175.35 174.11 3mff s GLU 165 N -0.22 4.38 0.16 1.68 2.12 -1.26 -0.20 118.70 125.35 3mff s GLU 165 Ca 0.01 2.11 0.11 0.00 0.36 0.00 0.00 54.97 57.56 3mff s GLU 165 Cb -0.11 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3mff s GLU 165 CO 0.01 -0.23 -0.24 0.14 -0.54 0.00 0.00 175.26 174.40 3mff s VAL 166 N -0.28 2.20 0.00 3.70 -7.23 -0.59 -4.89 120.40 113.31 3mff s VAL 166 Ca 0.54 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3mff s VAL 166 Cb -0.38 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3mff s VAL 166 CO 0.43 -0.07 0.00 1.41 -0.31 0.00 0.00 175.10 176.55 3mff n HIS 167 N 0.54 0.00 -1.69 2.82 -0.00 -1.26 -4.45 115.22 111.18 3mff n HIS 167 Ca -0.15 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.13 3mff n HIS 167 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 3mff n HIS 167 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3mff n SER 168 N -1.70 3.80 0.00 0.41 2.88 -1.26 -1.89 113.62 115.86 3mff n SER 168 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3mff n SER 168 Cb 0.35 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 3mff n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mff n GLY 169 N 4.07 0.63 3.79 0.46 0.00 -1.26 -4.85 105.19 108.02 3mff n GLY 169 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.59 5.21 -0.14 1.61 1.01 -0.79 -1.22 120.40 123.50 3mff s VAL 170 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3mff s VAL 170 Cb 0.00 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3mff s VAL 170 CO 0.00 0.49 0.08 -0.55 0.00 0.00 0.00 175.10 175.12 3mff s SER 171 N -0.34 2.02 -0.02 3.32 0.15 -0.36 -5.01 113.70 113.46 3mff s SER 171 Ca 0.20 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.43 3mff s SER 171 Cb -0.15 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 3mff s SER 171 CO 0.08 -0.32 0.00 -0.89 1.20 0.00 0.00 173.24 173.31 3mff s THR 172 N 2.15 4.20 0.26 6.45 2.01 -1.26 -1.25 115.64 128.21 3mff s THR 172 Ca 0.03 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 3mff s THR 172 Cb -0.15 -2.85 -0.14 0.00 0.01 0.00 0.00 72.50 69.37 3mff s THR 172 CO -0.08 0.43 1.09 0.47 -0.69 0.00 0.00 174.62 175.84 3mff n ASP 173 N 1.55 1.47 -0.36 3.53 8.00 -0.36 -4.87 116.55 125.51 3mff n ASP 173 Ca -0.15 1.17 0.07 0.00 0.71 0.00 0.00 54.79 56.58 3mff n ASP 173 Cb 0.53 -1.29 0.23 0.00 -0.02 0.00 0.00 41.12 40.57 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 2.51 0.99 -3.30 -0.24 0.11 -1.98 -3.44 132.00 126.65 3mff h PRO 174 Ca -0.41 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3mff h PRO 174 Cb 1.33 -0.22 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 3mff h PRO 174 CO 0.64 0.66 -0.37 -0.65 -0.21 0.00 0.00 178.00 178.07 3mff s GLN 175 N -5.97 0.62 0.54 1.05 -1.52 -1.26 -5.15 119.66 107.97 3mff s GLN 175 Ca -0.12 -0.36 -0.22 0.00 -1.95 0.00 0.00 55.36 52.72 3mff s GLN 175 Cb 0.22 0.27 -0.05 0.00 -0.22 0.00 0.00 33.01 33.22 3mff s GLN 175 CO 0.81 -0.17 1.31 -2.30 -0.25 0.00 0.00 175.29 174.69 3mff n PRO 176 N 1.19 1.63 -5.04 2.91 -0.02 -1.26 -4.92 135.00 129.50 3mff n PRO 176 Ca -0.21 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3mff n PRO 176 Cb 0.56 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 3mff n PRO 176 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mff s LEU 177 N -3.14 2.43 0.31 2.45 1.43 -0.25 -4.91 118.68 117.00 3mff s LEU 177 Ca 0.71 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.18 3mff s LEU 177 Cb -0.43 -1.46 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 3mff s LEU 177 CO 0.50 0.32 1.43 -0.54 0.23 0.00 0.00 176.35 178.29 3mff s LYS 178 N -0.77 4.24 0.25 1.70 1.02 -1.26 -0.94 119.74 123.98 3mff s LYS 178 Ca 0.11 2.37 0.11 0.00 0.02 0.00 0.00 55.97 58.59 3mff s LYS 178 Cb -0.10 -3.05 0.25 0.00 -0.52 0.00 0.00 37.83 34.40 3mff s LYS 178 CO 0.00 -0.40 1.54 0.93 -0.92 0.00 0.00 175.35 176.50 3mff h GLU 179 N 4.03 0.00 -2.63 1.68 5.08 -1.15 -3.38 114.58 118.21 3mff h GLU 179 Ca -0.48 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 3mff h GLU 179 Cb 1.23 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 3mff h GLU 179 CO 0.71 0.66 -0.84 -0.65 -1.00 0.00 0.00 179.01 177.89 3mff s GLN 180 N -3.33 1.26 0.63 2.33 -0.21 -1.26 -5.01 119.66 114.07 3mff s GLN 180 Ca -0.00 -2.28 0.24 0.00 0.02 0.00 0.00 55.36 53.34 3mff s GLN 180 Cb 0.11 -1.97 1.23 0.00 1.00 0.00 0.00 33.01 33.38 3mff s GLN 180 CO 0.76 -1.32 1.69 -1.35 -2.12 0.00 0.00 175.29 172.95 3mff h PRO 181 N 5.89 0.00 -0.00 2.91 0.11 -1.95 -0.39 132.00 138.57 3mff h PRO 181 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3mff h PRO 181 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mff h PRO 181 CO 0.45 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.24 3mff n ALA 182 N -2.02 2.65 -3.20 -0.75 0.00 -1.26 -4.80 120.51 111.14 3mff n ALA 182 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 3mff n ALA 182 Cb 0.72 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.03 2.61 0.29 0.00 1.02 -0.16 -5.01 118.68 115.41 3mff s LEU 183 Ca 0.44 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 54.23 3mff s LEU 183 Cb 0.22 -1.59 0.60 0.00 0.02 0.00 0.00 46.19 45.44 3mff s LEU 183 CO 0.37 0.14 1.84 -1.13 0.02 0.00 0.00 176.35 177.58 3mff h ASN 184 N 6.91 0.89 -0.57 2.29 -1.24 -1.87 -2.58 115.58 119.42 3mff h ASN 184 Ca -0.27 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.78 3mff h ASN 184 Cb 1.21 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.13 3mff h ASN 184 CO 0.55 0.46 0.00 0.47 -1.29 0.00 0.00 177.43 177.63 3mff n ASP 185 N -4.61 5.14 -4.57 1.15 8.00 -1.26 -4.99 116.55 115.41 3mff n ASP 185 Ca 0.19 -2.74 -0.42 0.00 0.71 0.00 0.00 54.79 52.53 3mff n ASP 185 Cb 0.38 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.69 0.69 -4.79 -2.24 2.88 -0.97 -5.00 113.62 104.88 3mff n SER 186 Ca 0.26 1.01 -0.27 0.00 -1.33 0.00 0.00 58.87 58.55 3mff n SER 186 Cb 1.04 -1.28 0.09 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.87 1.89 0.20 -1.46 0.52 -1.26 -4.87 118.95 112.09 3mff s ARG 187 Ca 0.63 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 55.62 3mff s ARG 187 Cb -0.59 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 3mff s ARG 187 CO 0.57 -1.48 -0.16 0.71 0.02 0.00 0.00 175.30 174.96 3mff s TYR 188 N -3.38 1.78 0.15 -0.53 2.02 0.12 -0.55 117.35 116.96 3mff s TYR 188 Ca 0.63 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.86 3mff s TYR 188 Cb -0.09 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 3mff s TYR 188 CO 0.46 0.38 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.59 3mff s SER 189 N -3.13 1.89 -0.12 2.29 0.01 -0.11 -1.47 113.70 113.05 3mff s SER 189 Ca 0.21 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 3mff s SER 189 Cb -0.03 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.21 3mff s SER 189 CO 0.07 -0.28 0.34 -0.22 0.41 0.00 0.00 173.24 173.56 3mff s LEU 190 N -3.04 0.69 0.27 2.44 2.96 0.56 -1.09 118.68 121.47 3mff s LEU 190 Ca 0.16 0.66 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 3mff s LEU 190 Cb 0.01 1.19 -0.05 0.00 0.50 0.00 0.00 46.19 47.83 3mff s LEU 190 CO 0.02 -0.14 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.84 3mff s SER 191 N 0.10 3.07 0.01 3.68 1.04 -1.26 -0.63 113.70 119.70 3mff s SER 191 Ca -0.01 -1.10 -0.14 0.00 0.48 0.00 0.00 55.95 55.18 3mff s SER 191 Cb -0.03 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.89 3mff s SER 191 CO 0.01 -0.17 0.30 -0.55 0.98 0.00 0.00 173.24 173.81 3mff s SER 192 N -3.45 -0.15 0.01 7.02 0.15 -0.45 -1.22 113.70 115.61 3mff s SER 192 Ca 0.28 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.97 3mff s SER 192 Cb -0.00 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 3mff s SER 192 CO 0.12 -0.51 -0.24 -0.13 1.20 0.00 0.00 173.24 173.68 3mff s ARG 193 N -1.82 1.75 -0.12 5.44 3.00 -0.38 -0.25 118.95 126.58 3mff s ARG 193 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 55.73 54.70 3mff s ARG 193 Cb -0.03 -1.80 0.02 0.00 0.00 0.00 0.00 34.95 33.14 3mff s ARG 193 CO 0.01 0.48 -0.10 -1.17 0.00 0.00 0.00 175.30 174.52 3mff s LEU 194 N -0.88 1.41 -0.15 2.53 2.96 -0.20 -1.22 118.68 123.13 3mff s LEU 194 Ca 0.09 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3mff s LEU 194 Cb -0.09 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 3mff s LEU 194 CO 0.01 -0.08 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.31 3mff s ARG 195 N 1.48 3.58 0.37 1.98 3.52 -0.35 0.18 118.95 129.70 3mff s ARG 195 Ca 0.02 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 3mff s ARG 195 Cb -0.13 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 3mff s ARG 195 CO -0.07 0.28 0.10 0.14 -0.81 0.00 0.00 175.30 174.94 3mff s VAL 196 N 0.25 0.80 0.80 7.11 -7.23 -0.41 -4.62 120.40 117.10 3mff s VAL 196 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.02 3mff s VAL 196 Cb -0.14 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.34 3mff s VAL 196 CO 0.03 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.97 3mff s SER 197 N -3.54 4.44 0.23 4.85 1.04 -1.26 -0.70 113.70 118.75 3mff s SER 197 Ca 0.29 1.46 -0.06 0.00 0.48 0.00 0.00 55.95 58.12 3mff s SER 197 Cb 0.05 -2.20 0.21 0.00 0.10 0.00 0.00 66.02 64.18 3mff s SER 197 CO 0.15 -2.02 1.81 0.00 0.98 0.00 0.00 173.24 174.15 3mff h ALA 198 N -1.12 1.11 -0.17 5.32 0.00 -1.39 -2.30 119.26 120.70 3mff h ALA 198 Ca -0.47 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3mff h ALA 198 Cb 1.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3mff h ALA 198 CO 0.57 0.65 -0.43 1.79 0.00 0.00 0.00 179.25 181.83 3mff h THR 199 N 1.15 1.31 -0.27 0.00 1.35 -1.93 -0.02 112.91 114.50 3mff h THR 199 Ca 0.27 -1.61 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 3mff h THR 199 Cb 0.17 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3mff h THR 199 CO -0.03 0.49 0.06 0.15 -0.25 0.00 0.00 175.52 175.94 3mff h PHE 200 N 0.33 0.45 -0.58 4.73 3.57 -1.90 -2.74 116.94 120.81 3mff h PHE 200 Ca 0.03 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3mff h PHE 200 Cb 0.90 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3mff h PHE 200 CO 0.03 0.52 0.27 2.35 -2.23 0.00 0.00 178.31 179.24 3mff h TRP 201 N 0.26 0.82 0.00 0.41 2.91 -1.27 -2.82 115.95 116.26 3mff h TRP 201 Ca 0.08 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3mff h TRP 201 Cb 0.30 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 3mff h TRP 201 CO 0.02 0.61 0.00 1.04 -1.03 0.00 0.00 178.44 179.08 3mff n GLN 202 N -4.35 0.65 -3.44 2.65 6.02 -0.03 -1.29 117.38 117.59 3mff n GLN 202 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 3mff n GLN 202 Cb 0.14 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.95 6.13 0.00 1.08 3.84 -1.07 -3.24 114.94 119.73 3mff s ASN 203 Ca 0.29 -0.51 0.15 0.00 0.21 0.00 0.00 52.86 53.00 3mff s ASN 203 Cb 0.13 -2.17 0.70 0.00 -0.55 0.00 0.00 41.25 39.36 3mff s ASN 203 CO 0.22 -0.36 1.45 -0.81 -2.79 0.00 0.00 177.10 174.81 3mff n PRO 204 N 5.27 0.11 0.19 0.43 -0.04 -1.26 -1.29 135.00 138.42 3mff n PRO 204 Ca -0.10 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3mff n PRO 204 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 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 -6.60 0.54 2.47 -1.92 -3.40 114.38 105.47 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 0.20 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3mff h ARG 205 CO 0.00 0.32 0.22 -0.80 0.56 0.00 0.00 179.97 180.26 3mff s ASN 206 N -6.31 7.40 0.04 7.04 0.01 -0.41 -4.96 114.94 117.75 3mff s ASN 206 Ca 0.02 1.70 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 3mff s ASN 206 Cb 0.09 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 3mff s ASN 206 CO 0.68 0.16 -0.10 -1.38 -1.51 0.00 0.00 177.10 174.95 3mff s HIS 207 N -1.23 0.90 -0.15 2.20 -3.43 -1.26 -0.89 115.29 111.42 3mff s HIS 207 Ca 0.38 -0.40 -0.02 0.00 -0.80 0.00 0.00 55.06 54.22 3mff s HIS 207 Cb -0.23 -0.53 0.05 0.00 -1.43 0.00 0.00 32.58 30.44 3mff s HIS 207 CO 0.27 -0.01 0.02 -0.06 -2.00 0.00 0.00 174.74 172.95 3mff s PHE 208 N -1.06 0.98 -0.17 0.38 0.08 -0.29 -1.38 117.98 116.53 3mff s PHE 208 Ca -0.04 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.36 3mff s PHE 208 Cb -0.08 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3mff s PHE 208 CO 0.01 -0.52 -0.19 0.50 -0.10 0.00 0.00 175.22 174.92 3mff s ARG 209 N 1.87 3.07 -0.14 0.44 3.52 0.63 -1.22 118.95 127.12 3mff s ARG 209 Ca 0.01 -0.81 -0.17 0.00 -0.13 0.00 0.00 55.73 54.64 3mff s ARG 209 Cb -0.15 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 3mff s ARG 209 CO -0.07 -0.11 0.41 0.00 -0.81 0.00 0.00 175.30 174.71 3mff s GLN 211 N 0.67 3.29 -0.26 0.00 0.74 0.16 -1.36 119.66 122.90 3mff s GLN 211 Ca 0.22 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.93 3mff s GLN 211 Cb -0.14 -2.64 0.06 0.00 1.10 0.00 0.00 33.01 31.38 3mff s GLN 211 CO 0.08 0.09 -0.10 0.54 -0.55 0.00 0.00 175.29 175.34 3mff s VAL 212 N 0.65 2.26 -0.12 1.34 0.11 0.63 -0.34 120.40 124.94 3mff s VAL 212 Ca -0.07 -1.55 -0.29 0.00 -2.93 0.00 0.00 61.98 57.13 3mff s VAL 212 Cb -0.16 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 3mff s VAL 212 CO 0.02 0.01 1.52 -1.58 -3.33 0.00 0.00 175.10 171.74 3mff s GLN 213 N 1.13 4.14 -0.11 1.54 2.00 -0.59 -1.27 119.66 126.51 3mff s GLN 213 Ca -0.07 1.93 -0.01 0.00 -2.00 0.00 0.00 55.36 55.20 3mff s GLN 213 Cb -0.19 -3.92 -0.03 0.00 0.80 0.00 0.00 33.01 29.67 3mff s GLN 213 CO -0.05 -0.87 -0.05 0.12 -0.50 0.00 0.00 175.29 173.94 3mff s PHE 214 N 4.04 3.01 -0.32 1.67 5.36 0.09 -0.63 117.98 131.20 3mff s PHE 214 Ca 0.67 -0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 56.45 3mff s PHE 214 Cb -0.28 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 3mff s PHE 214 CO 0.24 0.20 0.15 0.71 -1.46 0.00 0.00 175.22 175.06 3mff s TYR 215 N -0.33 3.19 0.00 10.12 2.02 -0.55 -1.63 117.35 130.16 3mff s TYR 215 Ca 0.05 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3mff s TYR 215 Cb -0.12 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 3mff s TYR 215 CO 0.02 -0.52 0.00 0.41 -1.57 0.00 0.00 175.55 173.89 3mff n GLY 216 N 4.96 5.30 3.77 0.71 0.00 -1.26 -4.75 105.19 113.91 3mff n GLY 216 Ca -0.14 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 3.19 0.00 0.99 1.43 -0.29 -4.41 118.68 119.59 3mff s LEU 217 Ca 0.00 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 3mff s LEU 217 Cb 0.00 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.71 3mff s LEU 217 CO 0.00 -1.89 0.26 -1.54 0.23 0.00 0.00 176.35 173.42 3mff n SER 218 N -3.03 2.88 -0.16 2.29 3.41 -1.26 -3.20 113.62 114.56 3mff n SER 218 Ca 0.10 -2.90 0.01 0.00 -0.26 0.00 0.00 58.87 55.82 3mff n SER 218 Cb 0.52 0.08 0.29 0.00 -0.26 0.00 0.00 64.21 64.84 3mff n SER 218 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3mff h GLU 219 N 0.00 0.87 -0.21 4.33 4.39 -2.03 -2.13 114.58 119.81 3mff h GLU 219 Ca -0.35 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.35 3mff h GLU 219 Cb 1.21 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3mff h GLU 219 CO 0.57 0.58 0.19 -0.91 -1.16 0.00 0.00 179.01 178.28 3mff h ASN 220 N 0.90 0.00 -3.48 1.42 -0.26 -2.04 -3.43 115.58 108.69 3mff h ASN 220 Ca 0.24 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.45 3mff h ASN 220 Cb -0.09 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3mff h ASN 220 CO -0.05 0.00 0.30 -1.81 -1.06 0.00 0.00 177.43 174.81 3mff s ASP 221 N -6.07 7.36 0.35 5.81 1.01 -0.80 -5.02 116.67 119.31 3mff s ASP 221 Ca -0.05 1.64 -0.26 0.00 0.71 0.00 0.00 52.55 54.59 3mff s ASP 221 Cb 0.16 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 3mff s ASP 221 CO 0.60 -0.11 1.08 -1.61 0.21 0.00 0.00 175.17 175.34 3mff s GLU 222 N 0.36 4.33 -0.11 8.23 2.02 -1.26 -4.89 118.70 127.38 3mff s GLU 222 Ca 0.46 1.67 -0.04 0.00 0.02 0.00 0.00 54.97 57.08 3mff s GLU 222 Cb -0.22 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.26 3mff s GLU 222 CO 0.27 -0.03 0.20 -0.46 0.02 0.00 0.00 175.26 175.26 3mff s TRP 223 N -1.44 -0.27 -0.00 1.61 -0.11 -1.26 -5.01 118.94 112.46 3mff s TRP 223 Ca 0.53 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.58 3mff s TRP 223 Cb -0.27 -0.18 0.00 0.00 -1.50 0.00 0.00 33.47 31.52 3mff s TRP 223 CO 0.34 -0.32 0.47 0.25 -4.62 0.00 0.00 176.95 173.07 3mff n THR 224 N 5.33 0.00 -1.79 5.86 -2.24 -1.26 -5.07 114.28 115.12 3mff n THR 224 Ca -0.05 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 3mff n THR 224 Cb 0.50 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.06 2.72 0.30 -0.78 -1.52 -1.26 -4.94 119.66 114.12 3mff s GLN 225 Ca 0.00 1.62 -0.01 0.00 -1.95 0.00 0.00 55.36 55.02 3mff s GLN 225 Cb 0.00 -1.92 0.47 0.00 -0.22 0.00 0.00 33.01 31.34 3mff s GLN 225 CO 0.00 -1.35 1.90 -0.44 -0.25 0.00 0.00 175.29 175.14 3mff h ASP 226 N 0.27 0.80 -4.15 5.90 5.19 -2.07 -3.44 116.42 118.92 3mff h ASP 226 Ca -0.48 -0.09 -0.48 0.00 -0.62 0.00 0.00 57.03 55.36 3mff h ASP 226 Cb 1.27 -0.20 0.04 0.00 0.18 0.00 0.00 39.33 40.62 3mff h ASP 226 CO 0.53 0.69 0.38 0.00 -3.12 0.00 0.00 179.24 177.72 3mff s ARG 227 N -5.47 3.58 0.20 3.56 1.70 -1.26 -4.98 118.95 116.28 3mff s ARG 227 Ca -0.10 1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 56.08 3mff s ARG 227 Cb 0.16 -2.07 -0.16 0.00 -0.57 0.00 0.00 34.95 32.31 3mff s ARG 227 CO 0.79 -0.60 0.86 0.00 -1.08 0.00 0.00 175.30 175.28 3mff n ALA 228 N -1.57 -1.73 -1.81 7.88 0.00 -1.26 -4.90 120.51 117.12 3mff n ALA 228 Ca 0.09 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 3mff n ALA 228 Cb 0.53 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3mff n ALA 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3mff s LYS 229 N -0.91 4.16 -1.25 0.00 2.20 -1.26 -4.89 119.74 117.78 3mff s LYS 229 Ca 0.67 2.46 -0.13 0.00 -0.36 0.00 0.00 55.97 58.61 3mff s LYS 229 Cb -0.88 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 31.50 3mff s LYS 229 CO 0.56 -0.86 2.32 -0.35 -0.36 0.00 0.00 175.35 176.67 3mff n PRO 230 N 6.65 2.62 -1.75 4.03 -0.04 -1.26 -4.93 135.00 140.32 3mff n PRO 230 Ca 0.18 -2.13 -0.29 0.00 -0.04 0.00 0.00 63.50 61.21 3mff n PRO 230 Cb 0.41 -2.94 0.09 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.39 2.67 0.13 0.52 -7.23 -1.26 -1.14 120.40 117.48 3mff s VAL 231 Ca 0.54 0.22 -0.34 0.00 -1.81 0.00 0.00 61.98 60.59 3mff s VAL 231 Cb 0.14 -3.12 -0.14 0.00 0.56 0.00 0.00 36.38 33.83 3mff s VAL 231 CO -0.03 -0.28 1.62 0.41 -0.31 0.00 0.00 175.10 176.51 3mff n THR 232 N -3.33 0.08 -3.65 5.32 -1.04 -1.19 -4.40 114.28 106.07 3mff n THR 232 Ca 0.07 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 61.99 3mff n THR 232 Cb 0.59 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.49 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 1.36 1.27 -0.10 -2.82 -2.07 -0.65 -4.91 119.66 111.73 3mff s GLN 233 Ca 0.81 -0.61 -0.04 0.00 -1.82 0.00 0.00 55.36 53.70 3mff s GLN 233 Cb -0.68 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 31.70 3mff s GLN 233 CO 0.40 -0.57 0.04 0.96 -1.32 0.00 0.00 175.29 174.79 3mff s ILE 234 N -3.50 4.62 -0.10 3.63 -4.36 -1.26 -0.73 121.20 119.50 3mff s ILE 234 Ca 0.08 -0.13 0.03 0.00 -0.26 0.00 0.00 60.65 60.37 3mff s ILE 234 Cb -0.02 -2.98 0.01 0.00 1.25 0.00 0.00 42.46 40.72 3mff s ILE 234 CO -0.03 0.59 -0.20 -0.69 0.24 0.00 0.00 174.94 174.85 3mff s VAL 235 N -0.76 1.81 0.16 8.37 1.01 -0.40 -4.98 120.40 125.62 3mff s VAL 235 Ca 0.12 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3mff s VAL 235 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3mff s VAL 235 CO 0.02 0.50 -0.16 -0.44 0.00 0.00 0.00 175.10 175.03 3mff s SER 236 N 0.58 2.42 0.01 3.32 0.01 -1.26 -0.27 113.70 118.52 3mff s SER 236 Ca -0.14 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.22 3mff s SER 236 Cb -0.17 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 3mff s SER 236 CO 0.04 -0.12 -0.04 0.00 0.41 0.00 0.00 173.24 173.54 3mff s ALA 237 N -2.42 0.28 -0.01 1.44 0.00 -0.46 -4.83 121.76 115.75 3mff s ALA 237 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3mff s ALA 237 Cb -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3mff s ALA 237 CO 0.05 0.01 -0.14 -2.00 0.00 0.00 0.00 175.76 173.69 3mff s GLU 238 N -0.52 1.16 0.11 0.00 2.12 -1.26 -0.97 118.70 119.34 3mff s GLU 238 Ca -0.03 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 54.88 3mff s GLU 238 Cb -0.04 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 3mff s GLU 238 CO -0.00 0.28 -0.17 0.00 -0.54 0.00 0.00 175.26 174.82 3mff s ALA 239 N -0.25 1.61 -0.01 6.30 0.00 -0.36 -4.98 121.76 124.08 3mff s ALA 239 Ca 0.04 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3mff s ALA 239 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3mff s ALA 239 CO -0.00 0.22 -0.04 -1.58 0.00 0.00 0.00 175.76 174.36 3mff s TRP 240 N -1.60 2.95 0.86 0.00 0.52 -1.26 -1.13 118.94 119.28 3mff s TRP 240 Ca 0.07 0.01 -0.13 0.00 0.02 0.00 0.00 56.10 56.07 3mff s TRP 240 Cb -0.08 -1.64 0.06 0.00 -1.15 0.00 0.00 33.47 30.67 3mff s TRP 240 CO 0.04 0.40 0.86 0.41 0.02 0.00 0.00 176.95 178.68 3mff n GLY 241 N 1.57 -0.90 2.73 0.98 0.00 -0.07 -5.01 105.19 104.48 3mff n GLY 241 Ca -0.15 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.87 -0.05 0.00 1.61 3.52 -0.41 -4.09 118.95 115.66 3mff s ARG 242 Ca 0.66 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 3mff s ARG 242 Cb -0.26 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.71 3mff s ARG 242 CO 0.58 -0.30 0.37 0.43 -0.81 0.00 0.00 175.30 175.57