#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2m s ALA 2 N 0.00 -0.60 -0.19 7.33 0.00 -1.26 -5.12 121.76 121.93 3f2m s ALA 2 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 3f2m s ALA 2 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3f2m s ALA 2 CO 0.00 -0.30 1.27 0.08 0.00 0.00 0.00 175.76 176.82 3f2m s VAL 3 N -1.79 4.26 -0.12 0.00 1.01 -1.26 -4.87 120.40 117.63 3f2m s VAL 3 Ca -0.11 1.50 0.17 0.00 0.00 0.00 0.00 61.98 63.54 3f2m s VAL 3 Cb -0.04 -4.02 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 3f2m s VAL 3 CO 0.01 -0.19 0.53 0.29 0.00 0.00 0.00 175.10 175.74 3f2m n LYS 4 N 6.73 0.65 -3.56 2.72 5.02 -1.26 -4.97 118.16 123.49 3f2m n LYS 4 Ca 0.14 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 3f2m n LYS 4 Cb 0.45 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3f2m n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f2m s ALA 5 N -2.78 -1.78 -0.22 7.82 0.00 -1.26 -5.17 121.76 118.37 3f2m s ALA 5 Ca -0.06 1.56 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 3f2m s ALA 5 Cb 0.08 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.85 3f2m s ALA 5 CO 0.83 -0.36 0.61 0.00 0.00 0.00 0.00 175.76 176.84 3f2m s ALA 6 N -0.66 -1.50 -0.02 0.00 0.00 -1.26 -5.16 121.76 113.15 3f2m s ALA 6 Ca -0.07 1.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 3f2m s ALA 6 Cb -0.02 -0.96 0.04 0.00 0.00 0.00 0.00 23.12 22.18 3f2m s ALA 6 CO 0.07 -0.29 0.44 -0.98 0.00 0.00 0.00 175.76 175.00 3f2m s ARG 7 N 0.27 0.82 0.05 0.00 1.70 -1.26 -4.62 118.95 115.91 3f2m s ARG 7 Ca -0.00 -0.04 -0.22 0.00 -0.47 0.00 0.00 55.73 55.00 3f2m s ARG 7 Cb -0.04 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.76 3f2m s ARG 7 CO 0.01 -0.24 0.51 1.52 -1.08 0.00 0.00 175.30 176.02 3f2m s TYR 8 N -1.32 -0.41 0.00 5.89 1.13 -0.94 -4.90 117.35 116.80 3f2m s TYR 8 Ca -0.12 0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.98 3f2m s TYR 8 Cb -0.03 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 3f2m s TYR 8 CO 0.06 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.87 3f2m n GLY 9 N 0.41 -0.81 3.11 5.49 0.00 -1.26 -0.16 105.19 111.97 3f2m n GLY 9 Ca -0.18 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3f2m n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f2m s LYS 10 N -0.54 2.04 0.28 1.61 2.47 -0.59 -4.83 119.74 120.17 3f2m s LYS 10 Ca 0.00 -0.59 0.10 0.00 -1.56 0.00 0.00 55.97 53.92 3f2m s LYS 10 Cb 0.00 -1.66 -0.05 0.00 -1.46 0.00 0.00 37.83 34.66 3f2m s LYS 10 CO 0.00 0.15 -0.05 0.34 0.16 0.00 0.00 175.35 175.95 3f2m s ASP 11 N 0.35 4.27 -1.24 1.43 -1.08 -1.26 -1.51 116.67 117.63 3f2m s ASP 11 Ca -0.11 -0.78 -0.05 0.00 -0.52 0.00 0.00 52.55 51.09 3f2m s ASP 11 Cb -0.15 -0.68 0.01 0.00 -1.46 0.00 0.00 42.92 40.64 3f2m s ASP 11 CO 0.04 -0.02 0.62 0.59 0.52 0.00 0.00 175.17 176.93 3f2m n ASN 12 N -0.84 -5.40 -4.54 -0.34 3.02 -1.15 -4.95 115.26 101.06 3f2m n ASN 12 Ca -0.06 -0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 53.78 3f2m n ASN 12 Cb 0.60 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.55 3f2m n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f2m s VAL 13 N -3.12 4.44 0.08 2.41 1.01 -0.62 -4.85 120.40 119.76 3f2m s VAL 13 Ca 0.31 0.48 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 3f2m s VAL 13 Cb -0.14 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 3f2m s VAL 13 CO 0.38 -0.97 0.90 -0.13 0.00 0.00 0.00 175.10 175.29 3f2m s ARG 14 N 3.81 4.62 -0.03 2.72 0.52 -1.26 -0.53 118.95 128.80 3f2m s ARG 14 Ca 0.33 1.33 0.01 0.00 -0.52 0.00 0.00 55.73 56.88 3f2m s ARG 14 Cb -0.11 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 31.99 3f2m s ARG 14 CO 0.22 0.21 -0.03 0.08 0.02 0.00 0.00 175.30 175.80 3f2m s VAL 15 N 0.09 0.39 0.04 3.52 1.01 -0.34 -4.99 120.40 120.12 3f2m s VAL 15 Ca 0.45 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.46 3f2m s VAL 15 Cb -0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3f2m s VAL 15 CO 0.27 0.18 -0.26 -0.47 0.00 0.00 0.00 175.10 174.83 3f2m s TYR 16 N 0.81 2.29 -0.01 5.22 6.14 -1.26 -0.75 117.35 129.79 3f2m s TYR 16 Ca -0.10 -0.41 0.01 0.00 0.64 0.00 0.00 57.07 57.21 3f2m s TYR 16 Cb -0.13 -1.38 0.00 0.00 0.42 0.00 0.00 41.96 40.88 3f2m s TYR 16 CO -0.00 0.11 -0.03 0.21 0.64 0.00 0.00 175.55 176.48 3f2m s LYS 17 N -1.19 0.32 -0.06 4.97 2.20 0.16 -4.99 119.74 121.16 3f2m s LYS 17 Ca 0.11 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 3f2m s LYS 17 Cb -0.10 -0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.85 3f2m s LYS 17 CO 0.02 0.03 -0.14 0.54 -0.36 0.00 0.00 175.35 175.44 3f2m s VAL 18 N 0.18 3.08 -0.12 4.02 0.11 -1.26 -0.75 120.40 125.67 3f2m s VAL 18 Ca -0.02 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3f2m s VAL 18 Cb -0.05 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.57 3f2m s VAL 18 CO -0.00 0.59 -0.09 -2.28 -3.33 0.00 0.00 175.10 169.98 3f2m s HIS 19 N -0.64 2.88 -0.21 1.54 2.46 -0.02 -4.98 115.29 116.32 3f2m s HIS 19 Ca 0.10 -0.38 0.01 0.00 0.47 0.00 0.00 55.06 55.25 3f2m s HIS 19 Cb -0.11 -1.83 0.03 0.00 -0.13 0.00 0.00 32.58 30.54 3f2m s HIS 19 CO 0.01 -0.03 -0.15 0.15 -2.47 0.00 0.00 174.74 172.25 3f2m s LYS 20 N 0.05 2.80 -0.46 2.88 1.02 -1.26 -1.03 119.74 123.74 3f2m s LYS 20 Ca -0.03 -0.97 -0.25 0.00 0.02 0.00 0.00 55.97 54.74 3f2m s LYS 20 Cb -0.14 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3f2m s LYS 20 CO 0.04 -0.32 0.88 0.34 -0.92 0.00 0.00 175.35 175.36 3f2m s ASP 21 N 1.25 6.47 0.29 2.83 3.68 -0.18 -4.93 116.67 126.08 3f2m s ASP 21 Ca 0.01 0.03 0.05 0.00 2.13 0.00 0.00 52.55 54.77 3f2m s ASP 21 Cb -0.15 -2.43 0.43 0.00 -1.45 0.00 0.00 42.92 39.32 3f2m s ASP 21 CO -0.09 -1.01 1.70 -0.33 0.13 0.00 0.00 175.17 175.56 3f2m h GLU 22 N 9.06 0.33 0.62 4.34 5.08 -1.94 0.29 114.58 132.35 3f2m h GLU 22 Ca -0.24 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 3f2m h GLU 22 Cb 1.08 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.33 3f2m h GLU 22 CO 1.01 0.65 -0.30 0.87 -1.00 0.00 0.00 179.01 180.24 3f2m h LYS 23 N 0.28 -0.80 0.00 2.33 6.56 -1.97 -3.33 116.57 119.63 3f2m h LYS 23 Ca 0.03 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 3f2m h LYS 23 Cb 0.78 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 3f2m h LYS 23 CO 0.06 -0.53 -0.37 1.79 -2.06 0.00 0.00 179.45 178.34 3f2m h THR 24 N -0.89 0.00 0.00 -0.16 1.35 -1.98 -3.47 112.91 107.76 3f2m h THR 24 Ca -0.08 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3f2m h THR 24 Cb 0.64 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3f2m h THR 24 CO 0.14 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3f2m n GLY 25 N 1.25 0.87 3.73 5.82 0.00 0.10 -5.01 105.19 111.95 3f2m n GLY 25 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3f2m n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f2m s VAL 26 N -3.56 4.52 0.04 1.61 1.01 -1.22 -4.78 120.40 118.02 3f2m s VAL 26 Ca 0.00 2.01 0.06 0.00 0.00 0.00 0.00 61.98 64.06 3f2m s VAL 26 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3f2m s VAL 26 CO 0.00 0.33 -0.14 -1.10 0.00 0.00 0.00 175.10 174.19 3f2m s GLN 27 N -0.04 2.19 -0.04 2.72 -0.21 0.26 -1.01 119.66 123.53 3f2m s GLN 27 Ca 0.46 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3f2m s GLN 27 Cb -0.23 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.52 3f2m s GLN 27 CO 0.29 0.55 -0.07 0.99 -2.12 0.00 0.00 175.29 174.93 3f2m s THR 28 N -0.98 0.68 0.15 -0.19 2.01 -0.20 -4.59 115.64 112.53 3f2m s THR 28 Ca 0.16 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.99 3f2m s THR 28 Cb -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3f2m s THR 28 CO 0.07 0.24 -0.05 0.68 -0.69 0.00 0.00 174.62 174.87 3f2m s VAL 29 N 0.59 3.51 -0.04 3.82 -7.23 -1.26 -0.84 120.40 118.95 3f2m s VAL 29 Ca -0.09 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3f2m s VAL 29 Cb -0.12 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.11 3f2m s VAL 29 CO 0.01 -0.04 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.37 3f2m s TYR 30 N -1.57 0.96 -0.01 2.82 2.02 0.08 -4.87 117.35 116.77 3f2m s TYR 30 Ca 0.25 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3f2m s TYR 30 Cb -0.10 -0.74 -0.00 0.00 -0.40 0.00 0.00 41.96 40.72 3f2m s TYR 30 CO 0.16 -0.17 -0.08 -2.00 -1.57 0.00 0.00 175.55 171.90 3f2m s GLU 31 N 0.56 0.73 0.13 -0.62 2.12 -1.26 -0.66 118.70 119.69 3f2m s GLU 31 Ca -0.09 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 3f2m s GLU 31 Cb -0.12 -0.70 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 3f2m s GLU 31 CO 0.01 0.14 0.18 0.00 -0.54 0.00 0.00 175.26 175.05 3f2m s MET 32 N -0.01 0.99 -0.08 4.30 0.23 0.07 -1.86 119.30 122.93 3f2m s MET 32 Ca 0.00 -1.19 0.05 0.00 -1.03 0.00 0.00 55.69 53.52 3f2m s MET 32 Cb -0.05 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.57 3f2m s MET 32 CO -0.00 -0.32 -0.23 0.99 -2.03 0.00 0.00 175.02 173.43 3f2m s THR 33 N -3.96 1.93 -0.02 3.16 2.01 -0.01 -1.20 115.64 117.55 3f2m s THR 33 Ca 0.15 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.26 3f2m s THR 33 Cb 0.05 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3f2m s THR 33 CO -0.03 0.53 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 3f2m s VAL 34 N 0.19 1.93 -0.07 3.82 1.01 0.31 -1.30 120.40 126.29 3f2m s VAL 34 Ca -0.13 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.85 3f2m s VAL 34 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3f2m s VAL 34 CO 0.06 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.52 3f2m s VAL 36 N 0.31 1.15 -0.03 0.00 1.01 -0.57 -0.67 120.40 121.60 3f2m s VAL 36 Ca -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3f2m s VAL 36 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3f2m s VAL 36 CO 0.05 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 174.52 3f2m s LEU 37 N 1.36 2.05 0.14 3.92 1.43 -0.07 -1.55 118.68 125.97 3f2m s LEU 37 Ca -0.01 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 3f2m s LEU 37 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3f2m s LEU 37 CO -0.05 0.29 0.04 -0.76 0.23 0.00 0.00 176.35 176.10 3f2m s LEU 38 N -0.50 3.51 0.07 1.79 1.43 0.78 -0.20 118.68 125.55 3f2m s LEU 38 Ca 0.07 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3f2m s LEU 38 Cb -0.10 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3f2m s LEU 38 CO -0.00 0.11 -0.10 -1.61 0.23 0.00 0.00 176.35 174.98 3f2m s GLU 39 N -2.79 0.70 0.00 1.70 2.02 -0.49 -2.21 118.70 117.63 3f2m s GLU 39 Ca 0.28 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3f2m s GLU 39 Cb -0.10 -0.47 0.00 0.00 0.10 0.00 0.00 34.13 33.66 3f2m s GLU 39 CO 0.20 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3f2m n GLY 40 N 1.05 -0.72 3.31 -1.39 0.00 -1.26 -0.41 105.19 105.76 3f2m n GLY 40 Ca -0.20 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3f2m n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f2m n GLU 41 N 0.00 3.32 0.00 1.61 1.02 0.23 -4.48 120.64 122.34 3f2m n GLU 41 Ca 0.00 -3.52 0.00 0.00 -0.02 0.00 0.00 57.16 53.62 3f2m n GLU 41 Cb 0.00 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.26 3f2m n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3f2m n ILE 42 N 4.87 0.43 -0.28 -3.67 -5.35 -1.26 -4.79 119.36 109.30 3f2m n ILE 42 Ca 0.42 -0.59 0.14 0.00 -0.27 0.00 0.00 62.75 62.44 3f2m n ILE 42 Cb 0.42 0.89 0.39 0.00 -1.74 0.00 0.00 39.64 39.60 3f2m n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3f2m h GLU 43 N 0.00 0.63 0.00 6.28 3.07 -1.99 -2.09 114.58 120.49 3f2m h GLU 43 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3f2m h GLU 43 Cb 0.41 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3f2m h GLU 43 CO 0.00 0.42 -0.01 1.79 -1.40 0.00 0.00 179.01 179.80 3f2m h THR 44 N 0.65 0.05 -0.07 1.13 1.35 -1.89 -0.66 112.91 113.47 3f2m h THR 44 Ca 0.48 -0.39 -0.08 0.00 -0.55 0.00 0.00 66.41 65.88 3f2m h THR 44 Cb 0.86 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3f2m h THR 44 CO -0.24 0.01 -0.32 0.77 -0.25 0.00 0.00 175.52 175.50 3f2m h SER 45 N 0.00 0.13 0.20 5.36 4.64 -1.40 0.11 113.55 122.58 3f2m h SER 45 Ca -0.00 -0.04 -0.28 0.00 -0.47 0.00 0.00 61.79 61.00 3f2m h SER 45 Cb 0.36 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3f2m h SER 45 CO 0.00 0.45 -1.26 1.88 -0.87 0.00 0.00 176.83 177.03 3f2m h TYR 46 N 0.11 0.78 0.00 4.77 -1.99 -1.29 -3.29 116.97 116.06 3f2m h TYR 46 Ca 0.01 -0.57 -0.32 0.00 2.00 0.00 0.00 58.73 59.85 3f2m h TYR 46 Cb 0.63 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.27 3f2m h TYR 46 CO 0.01 1.48 -1.98 0.25 -0.00 0.00 0.00 178.16 177.92 3f2m n THR 47 N -3.87 1.53 0.01 -2.88 -2.24 -0.63 -4.50 114.28 101.70 3f2m n THR 47 Ca -0.17 -0.81 0.01 0.00 -2.27 0.00 0.00 64.05 60.80 3f2m n THR 47 Cb 0.99 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 3f2m n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f2m n LYS 48 N -2.95 1.21 -3.41 -0.78 4.76 0.30 -4.98 118.16 112.32 3f2m n LYS 48 Ca -0.23 -1.10 -0.25 0.00 -2.87 0.00 0.00 58.31 53.86 3f2m n LYS 48 Cb 1.09 -1.02 0.04 0.00 -1.84 0.00 0.00 35.03 33.30 3f2m n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3f2m n ALA 49 N -0.18 -1.14 -3.09 7.82 0.00 -1.03 -4.94 120.51 117.94 3f2m n ALA 49 Ca 0.01 0.28 -0.45 0.00 0.00 0.00 0.00 53.44 53.28 3f2m n ALA 49 Cb 0.16 -4.34 -0.02 0.00 0.00 0.00 0.00 19.45 15.24 3f2m n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f2m s ASP 50 N -3.00 6.70 0.00 0.00 2.15 -0.72 -4.85 116.67 116.95 3f2m s ASP 50 Ca 0.47 -2.34 0.19 0.00 0.43 0.00 0.00 52.55 51.30 3f2m s ASP 50 Cb -0.22 -2.32 0.99 0.00 -0.30 0.00 0.00 42.92 41.06 3f2m s ASP 50 CO 0.58 -0.85 1.58 0.59 -0.17 0.00 0.00 175.17 176.90 3f2m n ASN 51 N 5.44 0.00 0.28 -0.34 3.02 -1.26 -3.47 115.26 118.93 3f2m n ASN 51 Ca 0.20 -0.08 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 3f2m n ASN 51 Cb 0.48 -0.24 0.85 0.00 -0.61 0.00 0.00 39.78 40.26 3f2m n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3f2m h SER 52 N 0.00 0.00 0.48 6.41 4.64 -1.97 -0.58 113.55 122.53 3f2m h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f2m h SER 52 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3f2m h SER 52 CO 0.00 0.05 -0.18 1.33 -0.87 0.00 0.00 176.83 177.17 3f2m n VAL 53 N -3.71 0.00 -3.36 0.95 0.24 -1.23 -4.85 118.33 106.37 3f2m n VAL 53 Ca -0.02 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.34 61.83 3f2m n VAL 53 Cb 0.15 -0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.37 3f2m n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3f2m s ILE 54 N -2.66 5.14 -0.37 1.34 1.01 -0.23 -4.91 121.20 120.53 3f2m s ILE 54 Ca 0.23 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 3f2m s ILE 54 Cb 0.19 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.88 3f2m s ILE 54 CO 0.53 0.01 1.32 -0.69 0.00 0.00 0.00 174.94 176.11 3f2m s VAL 55 N 2.12 4.06 0.45 2.92 1.01 -1.26 -4.99 120.40 124.71 3f2m s VAL 55 Ca 0.15 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.03 3f2m s VAL 55 Cb -0.16 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 3f2m s VAL 55 CO 0.11 -0.65 1.22 0.00 0.00 0.00 0.00 175.10 175.78 3f2m n ALA 56 N 8.12 1.08 0.17 5.51 0.00 -1.26 -4.80 120.51 129.34 3f2m n ALA 56 Ca 0.15 0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.85 3f2m n ALA 56 Cb 0.47 -2.24 0.48 0.00 0.00 0.00 0.00 19.45 18.16 3f2m n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3f2m h THR 57 N 1.78 1.12 -0.86 0.00 1.35 -1.94 -0.94 112.91 113.42 3f2m h THR 57 Ca -0.48 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 3f2m h THR 57 Cb 1.31 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 3f2m h THR 57 CO 0.58 0.16 0.46 -0.78 -0.25 0.00 0.00 175.52 175.69 3f2m h ASP 58 N 0.14 1.09 -0.29 5.36 3.58 -1.94 -0.53 116.42 123.84 3f2m h ASP 58 Ca 0.03 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 3f2m h ASP 58 Cb 0.24 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3f2m h ASP 58 CO 0.01 0.88 -0.00 0.28 -2.88 0.00 0.00 179.24 177.54 3f2m h SER 59 N 1.21 0.59 -0.53 2.28 0.02 -1.55 -1.73 113.55 113.84 3f2m h SER 59 Ca 0.30 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3f2m h SER 59 Cb 0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3f2m h SER 59 CO -0.05 0.66 0.19 0.40 -1.14 0.00 0.00 176.83 176.89 3f2m h ILE 60 N 0.59 1.23 -0.35 3.27 2.04 -0.36 -0.79 117.51 123.14 3f2m h ILE 60 Ca 0.12 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3f2m h ILE 60 Cb 0.38 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3f2m h ILE 60 CO 0.01 0.27 0.22 0.50 0.00 0.00 0.00 178.15 179.16 3f2m h LYS 61 N 0.72 0.45 -0.76 2.37 3.64 -0.82 -1.77 116.57 120.39 3f2m h LYS 61 Ca 0.17 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3f2m h LYS 61 Cb 0.24 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 3f2m h LYS 61 CO -0.01 0.29 0.44 -0.91 -2.27 0.00 0.00 179.45 176.99 3f2m h ASN 62 N 0.46 0.64 -0.37 4.20 2.35 -1.08 -2.21 115.58 119.56 3f2m h ASN 62 Ca 0.13 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3f2m h ASN 62 Cb -0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3f2m h ASN 62 CO -0.04 0.39 0.06 0.74 -1.65 0.00 0.00 177.43 176.93 3f2m h THR 63 N 0.77 1.22 -0.30 2.81 2.02 -0.68 -1.06 112.91 117.69 3f2m h THR 63 Ca 0.35 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3f2m h THR 63 Cb 0.26 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3f2m h THR 63 CO -0.21 0.30 0.12 0.40 0.37 0.00 0.00 175.52 176.50 3f2m h ILE 64 N 0.68 1.17 -0.46 3.11 2.04 -0.71 0.35 117.51 123.69 3f2m h ILE 64 Ca 0.15 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3f2m h ILE 64 Cb 0.33 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3f2m h ILE 64 CO 0.01 0.18 0.11 1.88 0.00 0.00 0.00 178.15 180.33 3f2m h TYR 65 N 0.33 0.78 -0.19 1.37 0.05 -1.24 -1.11 116.97 116.96 3f2m h TYR 65 Ca 0.10 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3f2m h TYR 65 Cb 0.17 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3f2m h TYR 65 CO -0.01 0.71 0.09 0.82 -1.05 0.00 0.00 178.16 178.72 3f2m h ILE 66 N 0.62 0.99 -0.82 -2.88 2.04 -1.08 -0.10 117.51 116.28 3f2m h ILE 66 Ca 0.14 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3f2m h ILE 66 Cb 0.33 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3f2m h ILE 66 CO 0.00 0.04 0.49 0.74 0.00 0.00 0.00 178.15 179.42 3f2m h THR 67 N 0.19 1.23 -0.34 -0.27 2.02 -0.83 -0.70 112.91 114.22 3f2m h THR 67 Ca 0.08 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3f2m h THR 67 Cb 0.02 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3f2m h THR 67 CO -0.06 0.24 0.08 0.00 0.37 0.00 0.00 175.52 176.15 3f2m h ALA 68 N 1.26 1.50 -0.63 6.16 0.00 -0.94 -0.91 119.26 125.71 3f2m h ALA 68 Ca 0.29 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3f2m h ALA 68 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3f2m h ALA 68 CO -0.05 0.37 0.09 -0.22 0.00 0.00 0.00 179.25 179.44 3f2m h LYS 69 N 0.49 1.05 -0.01 0.00 1.63 0.39 -3.32 116.57 116.80 3f2m h LYS 69 Ca 0.12 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 3f2m h LYS 69 Cb 0.20 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3f2m h LYS 69 CO -0.00 0.98 -0.57 1.04 -3.45 0.00 0.00 179.45 177.45 3f2m n GLN 70 N -4.26 0.63 -4.26 1.90 6.02 -0.51 -4.97 117.38 111.92 3f2m n GLN 70 Ca 0.04 -0.47 -0.14 0.00 -0.01 0.00 0.00 57.00 56.41 3f2m n GLN 70 Cb 0.29 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 3f2m n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3f2m s ASN 71 N -2.70 1.17 0.49 1.08 0.01 -0.38 -5.08 114.94 109.54 3f2m s ASN 71 Ca 0.16 -1.25 -0.22 0.00 -0.71 0.00 0.00 52.86 50.85 3f2m s ASN 71 Cb 0.18 0.14 -0.07 0.00 0.41 0.00 0.00 41.25 41.91 3f2m s ASN 71 CO 0.66 -0.63 1.15 -2.84 -1.51 0.00 0.00 177.10 173.93 3f2m s PRO 72 N -3.96 3.60 0.00 -0.60 0.02 -1.26 -4.71 135.00 128.09 3f2m s PRO 72 Ca 0.29 1.72 0.23 0.00 0.02 0.00 0.00 61.00 63.26 3f2m s PRO 72 Cb 0.07 -2.26 0.19 0.00 0.02 0.00 0.00 34.50 32.52 3f2m s PRO 72 CO 0.07 -0.67 1.24 1.33 -0.33 0.00 0.00 177.00 178.64 3f2m n VAL 73 N -0.79 0.00 -4.40 3.83 0.24 -1.26 -4.49 118.33 111.46 3f2m n VAL 73 Ca 0.09 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.69 3f2m n VAL 73 Cb 0.49 1.48 -0.14 0.00 -1.47 0.00 0.00 33.84 34.20 3f2m n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3f2m s THR 74 N -1.93 0.99 0.68 3.34 -1.32 -1.26 -3.83 115.64 112.31 3f2m s THR 74 Ca 0.27 -0.79 -0.15 0.00 -1.21 0.00 0.00 61.69 59.81 3f2m s THR 74 Cb 0.19 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 3f2m s THR 74 CO 0.29 0.09 1.13 -2.16 -2.21 0.00 0.00 174.62 171.76 3f2m s PRO 75 N -0.80 2.60 0.53 7.08 0.04 -1.26 -4.83 135.00 138.37 3f2m s PRO 75 Ca 0.02 1.45 0.22 0.00 0.04 0.00 0.00 61.00 62.73 3f2m s PRO 75 Cb -0.07 -1.92 1.44 0.00 0.04 0.00 0.00 34.50 33.99 3f2m s PRO 75 CO 0.00 -1.42 2.15 -1.00 0.04 0.00 0.00 177.00 176.78 3f2m h PRO 76 N -0.14 0.00 -0.88 0.56 0.13 -1.98 -1.38 132.00 128.31 3f2m h PRO 76 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 3f2m h PRO 76 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 3f2m h PRO 76 CO 0.53 0.05 0.54 0.93 -0.23 0.00 0.00 178.00 179.82 3f2m h GLU 77 N 0.00 0.94 0.03 0.86 3.07 -1.95 0.11 114.58 117.64 3f2m h GLU 77 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3f2m h GLU 77 Cb 0.10 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3f2m h GLU 77 CO 0.01 0.62 -0.01 1.25 -1.40 0.00 0.00 179.01 179.47 3f2m h LEU 78 N 0.97 -0.03 -0.57 1.33 5.85 -1.63 -2.57 115.31 118.66 3f2m h LEU 78 Ca 0.40 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.66 3f2m h LEU 78 Cb 0.23 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3f2m h LEU 78 CO -0.19 0.54 0.18 0.15 -0.34 0.00 0.00 178.44 178.78 3f2m h PHE 79 N -0.62 0.31 -0.79 1.25 3.57 -1.23 -0.50 116.94 118.93 3f2m h PHE 79 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3f2m h PHE 79 Cb 0.58 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 3f2m h PHE 79 CO 0.12 0.06 0.51 0.78 -2.23 0.00 0.00 178.31 177.55 3f2m h GLY 80 N 0.34 1.12 1.08 2.40 0.00 -0.85 -1.01 103.07 106.14 3f2m h GLY 80 Ca 0.29 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3f2m h GLY 80 CO -0.32 0.42 0.06 1.76 0.00 0.00 0.00 176.54 178.46 3f2m h SER 81 N 1.07 1.07 -0.45 0.19 0.02 -0.93 -0.43 113.55 114.09 3f2m h SER 81 Ca 0.29 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3f2m h SER 81 Cb -0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.13 3f2m h SER 81 CO -0.06 1.08 0.16 0.40 -1.14 0.00 0.00 176.83 177.27 3f2m h ILE 82 N 1.02 1.21 -0.42 3.27 2.04 -0.82 -0.94 117.51 122.87 3f2m h ILE 82 Ca 0.19 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3f2m h ILE 82 Cb 0.49 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3f2m h ILE 82 CO 0.02 0.25 0.12 0.25 0.00 0.00 0.00 178.15 178.79 3f2m h LEU 83 N 0.59 0.62 -0.44 1.44 5.85 -1.03 -1.77 115.31 120.56 3f2m h LEU 83 Ca 0.15 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3f2m h LEU 83 Cb 0.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3f2m h LEU 83 CO -0.01 0.67 -0.02 1.23 -0.34 0.00 0.00 178.44 179.97 3f2m h GLY 84 N 0.54 0.86 1.01 3.75 0.00 -0.99 -3.06 103.07 105.18 3f2m h GLY 84 Ca 0.13 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.82 3f2m h GLY 84 CO -0.00 0.60 0.54 -0.84 0.00 0.00 0.00 176.54 176.84 3f2m h THR 85 N 0.64 1.22 -0.49 4.70 2.02 -1.14 -2.70 112.91 117.16 3f2m h THR 85 Ca 0.12 -0.42 0.10 0.00 0.77 0.00 0.00 66.41 66.98 3f2m h THR 85 Cb 0.53 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.84 3f2m h THR 85 CO 0.03 0.22 -0.16 -0.74 0.37 0.00 0.00 175.52 175.23 3f2m h HIS 86 N 1.14 -0.38 -0.36 3.16 6.17 -1.22 -1.15 115.15 122.51 3f2m h HIS 86 Ca 0.30 0.05 -0.11 0.00 0.71 0.00 0.00 60.37 61.32 3f2m h HIS 86 Cb -0.11 0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 3f2m h HIS 86 CO -0.01 -0.25 -0.23 0.74 0.71 0.00 0.00 177.93 178.88 3f2m h PHE 87 N -0.05 0.82 0.00 5.26 0.04 -1.46 0.38 116.94 121.94 3f2m h PHE 87 Ca 0.24 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 3f2m h PHE 87 Cb 0.41 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3f2m h PHE 87 CO -0.45 0.89 -0.48 -0.84 -0.60 0.00 0.00 178.31 176.82 3f2m h ILE 88 N 0.63 0.77 0.22 -0.55 3.07 -1.37 -2.65 117.51 117.62 3f2m h ILE 88 Ca 0.09 -2.09 -0.34 0.00 1.55 0.00 0.00 64.86 64.06 3f2m h ILE 88 Cb 0.73 2.37 0.02 0.00 -0.27 0.00 0.00 36.82 39.67 3f2m h ILE 88 CO 0.06 0.44 -1.62 -0.33 -1.05 0.00 0.00 178.15 175.65 3f2m h GLU 89 N 0.00 0.46 -0.45 0.16 5.08 -1.09 -3.36 114.58 115.39 3f2m h GLU 89 Ca -0.01 -0.79 -0.10 0.00 -1.00 0.00 0.00 59.36 57.46 3f2m h GLU 89 Cb 1.35 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 3f2m h GLU 89 CO 0.06 1.37 -0.14 -0.22 -1.00 0.00 0.00 179.01 179.08 3f2m h LYS 90 N 0.13 0.83 -5.02 2.33 1.63 -0.98 -3.43 116.57 112.06 3f2m h LYS 90 Ca -0.30 -0.30 -0.66 0.00 -0.85 0.00 0.00 60.65 58.54 3f2m h LYS 90 Cb 2.13 -0.06 -0.31 0.00 -0.60 0.00 0.00 32.23 33.39 3f2m h LYS 90 CO 0.22 0.92 -0.79 0.71 -3.45 0.00 0.00 179.45 177.07 3f2m s TYR 91 N -4.75 2.88 0.35 1.91 2.02 -1.00 -5.00 117.35 113.75 3f2m s TYR 91 Ca -0.10 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.32 3f2m s TYR 91 Cb 0.13 -2.01 0.64 0.00 -0.40 0.00 0.00 41.96 40.32 3f2m s TYR 91 CO 0.83 -0.68 1.99 -0.91 -1.57 0.00 0.00 175.55 175.22 3f2m h ASN 92 N 8.03 0.74 0.10 2.29 2.35 -1.83 -2.94 115.58 124.31 3f2m h ASN 92 Ca -0.43 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3f2m h ASN 92 Cb 1.15 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3f2m h ASN 92 CO 0.62 0.52 -0.22 0.00 -1.65 0.00 0.00 177.43 176.70 3f2m n HIS 93 N -4.45 0.00 -3.41 1.19 1.44 -1.26 -4.75 115.22 103.98 3f2m n HIS 93 Ca 0.08 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.40 3f2m n HIS 93 Cb 0.09 -0.05 -0.09 0.00 0.12 0.00 0.00 29.99 30.05 3f2m n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3f2m s ILE 94 N -2.33 5.19 -0.58 0.61 -1.09 -1.11 0.75 121.20 122.63 3f2m s ILE 94 Ca 0.27 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 59.32 3f2m s ILE 94 Cb 0.19 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 3f2m s ILE 94 CO 0.47 0.18 0.46 1.41 -1.23 0.00 0.00 174.94 176.23 3f2m n HIS 95 N 5.17 0.00 -3.81 3.97 8.25 0.45 -4.59 115.22 124.66 3f2m n HIS 95 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 3f2m n HIS 95 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 3f2m n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f2m s ALA 96 N -1.42 -0.51 -0.06 -1.41 0.00 -0.85 -1.12 121.76 116.39 3f2m s ALA 96 Ca 0.05 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3f2m s ALA 96 Cb 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3f2m s ALA 96 CO 0.25 -0.14 -0.15 0.00 0.00 0.00 0.00 175.76 175.72 3f2m s ALA 97 N -0.38 1.41 -0.21 0.00 0.00 0.17 -1.40 121.76 121.36 3f2m s ALA 97 Ca -0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3f2m s ALA 97 Cb -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3f2m s ALA 97 CO 0.01 0.18 -0.14 -1.01 0.00 0.00 0.00 175.76 174.81 3f2m s HIS 98 N 0.41 2.92 -0.17 0.00 3.76 0.72 -0.53 115.29 122.39 3f2m s HIS 98 Ca -0.11 -1.59 0.01 0.00 -0.15 0.00 0.00 55.06 53.22 3f2m s HIS 98 Cb -0.14 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.59 3f2m s HIS 98 CO 0.04 -0.76 -0.18 0.08 -0.85 0.00 0.00 174.74 173.07 3f2m s VAL 99 N 1.31 1.90 -0.09 -0.90 1.01 0.29 -0.89 120.40 123.04 3f2m s VAL 99 Ca 0.03 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3f2m s VAL 99 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3f2m s VAL 99 CO -0.09 0.50 -0.09 0.21 0.00 0.00 0.00 175.10 175.64 3f2m s ASN 100 N 1.35 4.48 -0.04 3.32 3.84 0.16 -0.57 114.94 127.47 3f2m s ASN 100 Ca 0.05 -0.11 0.02 0.00 0.21 0.00 0.00 52.86 53.03 3f2m s ASN 100 Cb -0.13 -1.26 0.02 0.00 -0.55 0.00 0.00 41.25 39.33 3f2m s ASN 100 CO -0.12 0.31 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.79 3f2m s ILE 101 N -0.47 0.73 -0.20 -5.21 1.01 -0.52 -0.57 121.20 115.96 3f2m s ILE 101 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 3f2m s ILE 101 Cb -0.12 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3f2m s ILE 101 CO 0.02 0.26 -0.09 -0.69 0.00 0.00 0.00 174.94 174.44 3f2m s VAL 102 N 0.68 3.04 -0.17 2.92 1.01 -0.42 -1.17 120.40 126.29 3f2m s VAL 102 Ca -0.11 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3f2m s VAL 102 Cb -0.13 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3f2m s VAL 102 CO 0.01 0.46 0.15 0.00 0.00 0.00 0.00 175.10 175.72 3f2m s HIS 104 N -0.07 3.50 -0.09 0.00 3.76 -0.78 -2.77 115.29 118.84 3f2m s HIS 104 Ca 0.11 0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 55.11 3f2m s HIS 104 Cb -0.12 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 3f2m s HIS 104 CO 0.00 0.65 1.07 1.03 -0.85 0.00 0.00 174.74 176.65 3f2m s ARG 105 N -1.45 4.39 -0.31 1.40 0.52 -1.26 -4.43 118.95 117.82 3f2m s ARG 105 Ca 0.20 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 3f2m s ARG 105 Cb -0.12 -3.55 0.10 0.00 0.52 0.00 0.00 34.95 31.89 3f2m s ARG 105 CO 0.11 -0.37 0.08 -1.58 0.02 0.00 0.00 175.30 173.56 3f2m s TRP 106 N 2.12 2.07 -0.19 -0.53 0.23 -1.26 -4.25 118.94 117.12 3f2m s TRP 106 Ca 0.51 -1.93 -0.10 0.00 -2.03 0.00 0.00 56.10 52.55 3f2m s TRP 106 Cb -0.20 -1.90 -0.05 0.00 0.03 0.00 0.00 33.47 31.35 3f2m s TRP 106 CO 0.19 -0.88 0.14 0.99 0.96 0.00 0.00 176.95 178.35 3f2m s THR 107 N 1.49 5.41 0.20 2.01 2.01 0.32 -4.81 115.64 122.27 3f2m s THR 107 Ca 0.09 0.20 -0.33 0.00 0.31 0.00 0.00 61.69 61.97 3f2m s THR 107 Cb -0.18 -3.47 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 3f2m s THR 107 CO -0.21 0.45 1.54 -1.14 -0.69 0.00 0.00 174.62 174.57 3f2m n ARG 108 N 3.45 2.20 -2.36 4.92 0.63 -1.26 -0.70 116.66 123.54 3f2m n ARG 108 Ca -0.16 0.79 -0.39 0.00 -0.92 0.00 0.00 57.85 57.17 3f2m n ARG 108 Cb 0.52 -2.54 -0.03 0.00 0.45 0.00 0.00 32.46 30.87 3f2m n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3f2m s MET 109 N 0.47 4.23 -0.25 -0.14 -1.94 -0.33 -4.84 119.30 116.49 3f2m s MET 109 Ca 0.75 1.81 -0.10 0.00 -1.71 0.00 0.00 55.69 56.43 3f2m s MET 109 Cb -0.65 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.35 3f2m s MET 109 CO 0.41 -0.16 0.16 -0.51 -0.01 0.00 0.00 175.02 174.92 3f2m s ASP 110 N -1.10 5.99 -0.18 3.03 1.01 -1.26 -0.37 116.67 123.79 3f2m s ASP 110 Ca 0.54 0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.84 3f2m s ASP 110 Cb -0.30 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.55 3f2m s ASP 110 CO 0.38 0.01 -0.20 -0.63 0.21 0.00 0.00 175.17 174.95 3f2m s ILE 111 N 1.36 2.04 -1.38 0.77 -1.09 -0.25 -4.64 121.20 118.02 3f2m s ILE 111 Ca 0.07 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.48 3f2m s ILE 111 Cb -0.15 -1.84 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3f2m s ILE 111 CO 0.07 0.54 1.07 0.47 -1.23 0.00 0.00 174.94 175.86 3f2m n ASP 112 N 4.61 -4.91 0.00 3.58 8.00 -1.26 -2.08 116.55 124.48 3f2m n ASP 112 Ca -0.21 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3f2m n ASP 112 Cb 0.50 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 3f2m n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f2m n GLY 113 N -1.77 0.53 3.25 0.44 0.00 -1.26 -5.00 105.19 101.39 3f2m n GLY 113 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3f2m n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f2m s LYS 114 N -0.49 2.22 -0.12 1.61 -2.85 -0.88 -5.07 119.74 114.16 3f2m s LYS 114 Ca 0.00 -0.84 -0.35 0.00 -1.00 0.00 0.00 55.97 53.78 3f2m s LYS 114 Cb 0.00 -1.97 -0.12 0.00 -2.06 0.00 0.00 37.83 33.68 3f2m s LYS 114 CO 0.00 0.41 1.89 -2.30 0.10 0.00 0.00 175.35 175.45 3f2m n PRO 115 N 2.81 2.07 -2.46 1.78 -0.02 -1.26 -1.09 135.00 136.83 3f2m n PRO 115 Ca -0.17 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 3f2m n PRO 115 Cb 0.52 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3f2m n PRO 115 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3f2m s HIS 116 N 4.25 3.55 0.52 6.00 2.46 0.50 -4.92 115.29 127.65 3f2m s HIS 116 Ca 0.94 1.61 0.19 0.00 0.47 0.00 0.00 55.06 58.27 3f2m s HIS 116 Cb -0.72 -3.32 1.31 0.00 -0.13 0.00 0.00 32.58 29.73 3f2m s HIS 116 CO 0.52 -0.72 2.09 -1.00 -2.47 0.00 0.00 174.74 173.16 3f2m h PRO 117 N 4.52 0.01 0.00 2.88 0.13 -1.92 -3.37 132.00 134.24 3f2m h PRO 117 Ca -0.45 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 3f2m h PRO 117 Cb 1.21 -0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3f2m h PRO 117 CO 0.70 0.00 -0.41 -2.39 -0.23 0.00 0.00 178.00 175.68 3f2m n HIS 118 N -4.48 0.00 -4.65 1.56 1.44 -1.26 -0.57 115.22 107.26 3f2m n HIS 118 Ca 0.02 -0.32 -0.25 0.00 -2.01 0.00 0.00 57.72 55.17 3f2m n HIS 118 Cb 0.29 0.23 -0.14 0.00 0.12 0.00 0.00 29.99 30.49 3f2m n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3f2m s SER 119 N -0.98 2.29 0.05 4.39 0.01 -1.26 -5.04 113.70 113.16 3f2m s SER 119 Ca 0.07 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.82 3f2m s SER 119 Cb 0.09 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3f2m s SER 119 CO -0.04 0.15 0.05 -0.36 0.41 0.00 0.00 173.24 173.46 3f2m s PHE 120 N -0.73 0.31 0.01 2.43 0.40 -1.26 -1.19 117.98 117.94 3f2m s PHE 120 Ca 0.06 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 3f2m s PHE 120 Cb -0.08 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.21 3f2m s PHE 120 CO 0.01 -0.38 -0.11 -1.50 0.70 0.00 0.00 175.22 173.93 3f2m s ILE 121 N -3.19 0.89 -0.81 0.64 2.07 0.12 -4.84 121.20 116.08 3f2m s ILE 121 Ca 0.00 -0.62 -0.23 0.00 -1.41 0.00 0.00 60.65 58.38 3f2m s ILE 121 Cb 0.02 -0.77 0.06 0.00 0.13 0.00 0.00 42.46 41.90 3f2m s ILE 121 CO -0.07 0.15 1.20 -0.60 -1.91 0.00 0.00 174.94 173.71 3f2m s ARG 122 N -0.54 3.33 -1.20 3.50 6.06 -1.26 -0.52 118.95 128.32 3f2m s ARG 122 Ca 0.03 -0.86 -0.13 0.00 -2.50 0.00 0.00 55.73 52.27 3f2m s ARG 122 Cb -0.05 -4.59 0.19 0.00 0.06 0.00 0.00 34.95 30.56 3f2m s ARG 122 CO 0.00 -2.01 1.40 -0.40 -2.50 0.00 0.00 175.30 171.79 3f2m n ASP 123 N 8.33 5.28 0.00 -2.12 5.75 -1.26 -4.89 116.55 127.64 3f2m n ASP 123 Ca 0.11 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 3f2m n ASP 123 Cb 0.48 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.04 3f2m n ASP 123 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3f2m n SER 124 N 5.06 0.00 -0.46 -1.12 3.41 -1.26 -4.73 113.62 114.52 3f2m n SER 124 Ca 0.35 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.04 3f2m n SER 124 Cb 0.42 0.16 0.33 0.00 -0.26 0.00 0.00 64.21 64.85 3f2m n SER 124 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3f2m n GLU 125 N 1.40 1.60 -1.67 4.33 -0.58 -1.26 -4.63 120.64 119.83 3f2m n GLU 125 Ca 0.00 -0.91 -0.42 0.00 -0.42 0.00 0.00 57.16 55.40 3f2m n GLU 125 Cb 0.00 -1.33 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3f2m n GLU 125 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3f2m n GLU 126 N 0.16 1.89 -4.44 3.49 2.13 -1.23 -4.78 120.64 117.87 3f2m n GLU 126 Ca 0.14 0.67 -0.25 0.00 0.66 0.00 0.00 57.16 58.37 3f2m n GLU 126 Cb 0.26 -2.24 -0.11 0.00 0.27 0.00 0.00 31.44 29.63 3f2m n GLU 126 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3f2m s LYS 127 N -1.91 1.58 -0.14 5.31 -0.14 0.23 -4.45 119.74 120.23 3f2m s LYS 127 Ca 0.58 -1.64 -0.00 0.00 -1.36 0.00 0.00 55.97 53.55 3f2m s LYS 127 Cb -0.58 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 33.79 3f2m s LYS 127 CO 0.61 0.36 -0.14 0.50 -0.76 0.00 0.00 175.35 175.92 3f2m s ARG 128 N -3.10 3.33 0.24 1.68 3.52 -1.12 -1.82 118.95 121.68 3f2m s ARG 128 Ca 0.25 -0.71 0.08 0.00 -0.13 0.00 0.00 55.73 55.23 3f2m s ARG 128 Cb -0.06 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 3f2m s ARG 128 CO 0.12 0.13 -0.13 -0.80 -0.81 0.00 0.00 175.30 173.81 3f2m s ASN 129 N 0.55 2.85 0.01 -2.12 0.01 -0.51 -0.03 114.94 115.70 3f2m s ASN 129 Ca -0.09 -1.07 -0.01 0.00 -0.71 0.00 0.00 52.86 50.98 3f2m s ASN 129 Cb -0.16 -0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.31 3f2m s ASN 129 CO 0.04 -0.18 0.00 0.68 -1.51 0.00 0.00 177.10 176.13 3f2m s VAL 130 N -2.88 0.10 -0.17 1.60 -7.23 -0.31 -1.42 120.40 110.08 3f2m s VAL 130 Ca 0.26 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.63 3f2m s VAL 130 Cb -0.00 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.67 3f2m s VAL 130 CO 0.10 -0.44 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.72 3f2m s GLN 131 N -1.32 3.18 -0.16 4.82 2.00 0.16 -1.44 119.66 126.90 3f2m s GLN 131 Ca -0.14 -0.75 0.01 0.00 -2.00 0.00 0.00 55.36 52.48 3f2m s GLN 131 Cb -0.09 -2.67 0.02 0.00 0.80 0.00 0.00 33.01 31.07 3f2m s GLN 131 CO -0.00 -0.07 -0.20 0.08 -0.50 0.00 0.00 175.29 174.59 3f2m s VAL 132 N 1.03 1.98 -0.25 1.34 1.01 0.27 -1.05 120.40 124.73 3f2m s VAL 132 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3f2m s VAL 132 Cb -0.15 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 3f2m s VAL 132 CO -0.04 0.53 0.00 -1.81 0.00 0.00 0.00 175.10 173.79 3f2m s ASP 133 N 1.14 4.64 -0.30 3.32 1.01 0.29 -0.55 116.67 126.22 3f2m s ASP 133 Ca 0.01 -0.53 -0.05 0.00 0.71 0.00 0.00 52.55 52.69 3f2m s ASP 133 Cb -0.14 -1.79 0.03 0.00 1.01 0.00 0.00 42.92 42.03 3f2m s ASP 133 CO -0.09 -0.09 0.05 -0.69 0.21 0.00 0.00 175.17 174.57 3f2m s VAL 134 N 1.48 3.57 -0.11 -1.27 1.01 0.31 -1.03 120.40 124.36 3f2m s VAL 134 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3f2m s VAL 134 Cb -0.16 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.30 3f2m s VAL 134 CO -0.01 -0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.21 3f2m s VAL 135 N 1.40 1.57 0.14 2.92 1.01 -0.99 -0.66 120.40 125.79 3f2m s VAL 135 Ca -0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 60.96 3f2m s VAL 135 Cb -0.18 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 3f2m s VAL 135 CO 0.01 0.46 1.74 1.21 0.00 0.00 0.00 175.10 178.51 3f2m n GLU 136 N 4.13 2.56 0.00 2.72 2.13 -0.28 -0.96 120.64 130.95 3f2m n GLU 136 Ca -0.19 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3f2m n GLU 136 Cb 0.51 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.45 3f2m n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f2m n GLY 137 N 3.95 2.88 0.02 8.31 0.00 -1.26 -4.80 105.19 114.29 3f2m n GLY 137 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3f2m n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f2m n LYS 138 N -2.00 2.47 0.00 1.61 4.76 -0.13 -5.12 118.16 119.75 3f2m n LYS 138 Ca 0.00 -1.59 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 3f2m n LYS 138 Cb 0.00 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3f2m n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f2m n GLY 139 N -0.60 -0.54 2.84 0.72 0.00 -1.02 -4.81 105.19 101.78 3f2m n GLY 139 Ca 0.02 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 3f2m n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f2m s ILE 140 N 0.00 0.72 -0.18 -0.61 1.01 0.21 -2.33 121.20 120.02 3f2m s ILE 140 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 3f2m s ILE 140 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3f2m s ILE 140 CO 0.00 0.31 0.02 -1.81 0.00 0.00 0.00 174.94 173.45 3f2m s ASP 141 N 1.83 5.17 -0.11 3.58 1.01 -0.19 -1.49 116.67 126.47 3f2m s ASP 141 Ca 0.05 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.27 3f2m s ASP 141 Cb -0.12 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 41.95 3f2m s ASP 141 CO -0.07 0.15 -0.15 -0.63 0.21 0.00 0.00 175.17 174.68 3f2m s ILE 142 N 0.51 1.47 -0.19 0.77 1.01 -1.26 -0.55 121.20 122.96 3f2m s ILE 142 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 3f2m s ILE 142 Cb -0.14 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3f2m s ILE 142 CO 0.02 0.44 -0.08 -0.54 0.00 0.00 0.00 174.94 174.78 3f2m s LYS 143 N 1.04 3.36 0.16 2.79 1.02 -0.22 -1.77 119.74 126.12 3f2m s LYS 143 Ca -0.06 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.33 3f2m s LYS 143 Cb -0.15 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3f2m s LYS 143 CO -0.02 -0.08 0.12 -1.12 -0.92 0.00 0.00 175.35 173.33 3f2m s SER 144 N 1.14 5.45 0.17 2.83 0.01 -0.11 -0.67 113.70 122.53 3f2m s SER 144 Ca 0.01 -0.14 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 3f2m s SER 144 Cb -0.14 -1.41 0.05 0.00 0.21 0.00 0.00 66.02 64.73 3f2m s SER 144 CO -0.02 0.08 0.57 -0.94 0.41 0.00 0.00 173.24 173.34 3f2m s SER 145 N -3.02 -0.42 0.13 2.44 1.04 -0.51 -0.61 113.70 112.76 3f2m s SER 145 Ca 0.30 -0.21 0.11 0.00 0.48 0.00 0.00 55.95 56.64 3f2m s SER 145 Cb -0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3f2m s SER 145 CO 0.23 -1.01 -0.26 -1.48 0.98 0.00 0.00 173.24 171.69 3f2m s LEU 146 N -2.80 2.33 0.13 2.42 0.05 -0.40 -1.43 118.68 118.98 3f2m s LEU 146 Ca 0.04 -0.76 -0.14 0.00 0.05 0.00 0.00 54.13 53.33 3f2m s LEU 146 Cb -0.01 -1.20 0.02 0.00 -2.05 0.00 0.00 46.19 42.95 3f2m s LEU 146 CO -0.09 0.17 0.35 -0.94 -0.55 0.00 0.00 176.35 175.29 3f2m s SER 147 N -2.11 -0.12 -0.84 1.48 1.04 -0.76 -1.50 113.70 110.90 3f2m s SER 147 Ca 0.14 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3f2m s SER 147 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3f2m s SER 147 CO 0.06 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3f2m n GLY 148 N -0.20 0.42 3.40 7.32 0.00 -1.12 -0.60 105.19 114.41 3f2m n GLY 148 Ca -0.14 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3f2m n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2m s LEU 149 N -2.37 5.13 -0.26 0.99 2.96 -1.22 -3.48 118.68 120.42 3f2m s LEU 149 Ca 0.00 -1.31 -0.10 0.00 -0.22 0.00 0.00 54.13 52.50 3f2m s LEU 149 Cb 0.00 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3f2m s LEU 149 CO 0.00 -1.19 0.16 -0.89 -1.32 0.00 0.00 176.35 173.11 3f2m s THR 150 N 3.03 5.14 0.14 3.68 2.01 -1.26 -0.05 115.64 128.34 3f2m s THR 150 Ca 0.14 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.28 3f2m s THR 150 Cb -0.22 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3f2m s THR 150 CO 0.07 0.29 -0.05 0.68 -0.69 0.00 0.00 174.62 174.93 3f2m s VAL 151 N 1.52 0.85 -0.14 3.82 -7.23 -0.49 -5.01 120.40 113.71 3f2m s VAL 151 Ca 0.07 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 3f2m s VAL 151 Cb -0.15 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 34.92 3f2m s VAL 151 CO 0.08 -0.68 0.37 -0.22 -0.31 0.00 0.00 175.10 174.34 3f2m s LEU 152 N -3.14 0.40 -0.03 1.32 0.20 -1.26 -1.90 118.68 114.27 3f2m s LEU 152 Ca 0.18 0.77 0.07 0.00 0.69 0.00 0.00 54.13 55.84 3f2m s LEU 152 Cb 0.05 1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 47.05 3f2m s LEU 152 CO 0.00 -0.15 -0.24 -1.59 -0.29 0.00 0.00 176.35 174.09 3f2m s LYS 153 N 0.57 2.27 0.00 1.98 -2.85 0.28 -5.00 119.74 116.99 3f2m s LYS 153 Ca -0.03 -0.89 0.26 0.00 -1.00 0.00 0.00 55.97 54.32 3f2m s LYS 153 Cb -0.05 -2.12 0.78 0.00 -2.06 0.00 0.00 37.83 34.38 3f2m s LYS 153 CO -0.03 0.53 1.59 -1.13 0.10 0.00 0.00 175.35 176.41 3f2m n SER 154 N 2.53 0.50 -1.83 0.03 3.41 -1.26 -1.71 113.62 115.29 3f2m n SER 154 Ca -0.16 -0.28 -0.05 0.00 -0.26 0.00 0.00 58.87 58.12 3f2m n SER 154 Cb 0.51 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3f2m n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3f2m n THR 155 N -1.28 0.00 -3.52 6.66 5.66 -1.25 -4.39 114.28 116.16 3f2m n THR 155 Ca 0.08 -0.52 -0.22 0.00 -3.05 0.00 0.00 64.05 60.35 3f2m n THR 155 Cb 0.33 0.46 0.08 0.00 -1.55 0.00 0.00 70.33 69.65 3f2m n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3f2m n ASN 156 N -1.36 -5.38 -3.85 1.09 4.13 -1.26 -4.87 115.26 103.75 3f2m n ASN 156 Ca -0.03 -0.54 -0.14 0.00 1.68 0.00 0.00 54.58 55.56 3f2m n ASN 156 Cb 0.27 -4.89 -0.15 0.00 -1.54 0.00 0.00 39.78 33.47 3f2m n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3f2m s SER 157 N -3.51 0.13 0.12 6.41 0.15 -1.25 -2.16 113.70 113.58 3f2m s SER 157 Ca 0.45 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 57.13 3f2m s SER 157 Cb -0.20 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3f2m s SER 157 CO 0.70 -0.03 -0.09 -1.10 1.20 0.00 0.00 173.24 173.92 3f2m s GLN 158 N 0.33 0.96 -0.32 5.44 -0.21 0.30 -0.68 119.66 125.48 3f2m s GLN 158 Ca -0.03 -1.38 0.05 0.00 0.02 0.00 0.00 55.36 54.02 3f2m s GLN 158 Cb -0.05 -0.47 0.18 0.00 1.00 0.00 0.00 33.01 33.68 3f2m s GLN 158 CO -0.01 0.04 0.52 0.12 -2.12 0.00 0.00 175.29 173.84 3f2m s PHE 159 N -3.33 -1.42 0.17 0.91 5.36 -0.49 -3.85 117.98 115.34 3f2m s PHE 159 Ca 0.14 0.49 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 3f2m s PHE 159 Cb 0.03 0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.78 3f2m s PHE 159 CO -0.01 -1.06 0.20 1.67 -1.46 0.00 0.00 175.22 174.55 3f2m s TRP 160 N 2.40 0.74 -0.28 10.12 1.48 -1.26 -1.96 118.94 130.18 3f2m s TRP 160 Ca 0.12 -1.06 0.00 0.00 -1.06 0.00 0.00 56.10 54.09 3f2m s TRP 160 Cb -0.10 -0.29 0.00 0.00 -1.16 0.00 0.00 33.47 31.92 3f2m s TRP 160 CO -0.21 -0.67 0.00 0.41 -4.06 0.00 0.00 176.95 172.41 3f2m n GLY 161 N -0.22 0.59 3.88 3.67 0.00 -1.26 -5.04 105.19 106.82 3f2m n GLY 161 Ca -0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3f2m n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f2m s PHE 162 N -2.05 3.54 0.19 1.61 -0.71 -1.26 -5.01 117.98 114.29 3f2m s PHE 162 Ca 0.00 1.11 -0.33 0.00 -1.04 0.00 0.00 56.93 56.67 3f2m s PHE 162 Cb 0.00 -2.71 -0.14 0.00 -1.21 0.00 0.00 43.02 38.96 3f2m s PHE 162 CO 0.00 -0.71 1.50 -0.11 -1.34 0.00 0.00 175.22 174.56 3f2m n LEU 163 N -2.69 3.02 -4.12 -1.99 0.00 -1.26 -4.99 117.00 104.97 3f2m n LEU 163 Ca 0.05 1.11 -0.32 0.00 0.00 0.00 0.00 56.01 56.85 3f2m n LEU 163 Cb 0.55 -1.41 -0.16 0.00 0.00 0.00 0.00 43.42 42.39 3f2m n LEU 163 CO 0.57 -0.41 -0.53 -0.13 0.00 0.00 0.00 177.39 176.89 3f2m s ARG 164 N 0.37 2.79 0.00 1.96 0.52 -1.26 -4.95 118.95 118.38 3f2m s ARG 164 Ca 0.75 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3f2m s ARG 164 Cb -0.68 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3f2m s ARG 164 CO 0.43 -0.10 0.00 -0.40 0.02 0.00 0.00 175.30 175.25 3f2m n ASP 165 N 4.32 0.00 0.00 0.23 5.68 -1.26 -5.00 116.55 120.52 3f2m n ASP 165 Ca -0.20 -0.01 0.10 0.00 -0.50 0.00 0.00 54.79 54.18 3f2m n ASP 165 Cb 0.51 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 3f2m n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3f2m n GLU 166 N 0.00 0.50 0.00 0.11 0.00 -1.26 -1.99 120.64 118.00 3f2m n GLU 166 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.31 3f2m n GLU 166 Cb 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.01 3f2m n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3f2m n TYR 167 N -1.10 0.00 -3.59 -1.84 4.01 -1.26 -4.99 117.16 108.38 3f2m n TYR 167 Ca 0.13 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.50 3f2m n TYR 167 Cb 0.10 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3f2m n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3f2m s THR 168 N -2.26 5.33 0.00 -0.72 2.01 -0.84 -4.92 115.64 114.24 3f2m s THR 168 Ca 0.23 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3f2m s THR 168 Cb 0.19 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3f2m s THR 168 CO 0.44 0.36 0.00 0.35 -0.69 0.00 0.00 174.62 175.08 3f2m n THR 169 N 3.98 0.00 -1.96 -0.82 -2.24 -1.26 -4.84 114.28 107.14 3f2m n THR 169 Ca -0.13 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3f2m n THR 169 Cb 0.52 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3f2m n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3f2m s LEU 170 N -2.21 4.37 0.28 3.22 2.96 -1.26 -4.99 118.68 121.05 3f2m s LEU 170 Ca 0.00 2.61 -0.23 0.00 -0.22 0.00 0.00 54.13 56.29 3f2m s LEU 170 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 3f2m s LEU 170 CO 0.00 -0.79 0.84 -0.54 -1.32 0.00 0.00 176.35 174.54 3f2m s LYS 171 N 0.83 4.43 0.60 1.98 1.02 -1.26 -5.04 119.74 122.30 3f2m s LYS 171 Ca 0.68 1.11 -0.19 0.00 0.02 0.00 0.00 55.97 57.59 3f2m s LYS 171 Cb -0.43 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 3f2m s LYS 171 CO 0.34 0.33 1.22 -1.21 -0.92 0.00 0.00 175.35 175.11 3f2m s GLU 172 N -2.02 2.90 -0.02 1.68 2.02 -1.26 -5.00 118.70 117.00 3f2m s GLU 172 Ca 0.47 1.86 -0.08 0.00 0.02 0.00 0.00 54.97 57.24 3f2m s GLU 172 Cb -0.18 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.15 3f2m s GLU 172 CO 0.22 -1.27 0.17 -0.08 0.02 0.00 0.00 175.26 174.33 3f2m s THR 173 N -1.57 0.06 -0.27 3.63 -1.32 -0.83 -5.00 115.64 110.34 3f2m s THR 173 Ca 0.78 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.80 3f2m s THR 173 Cb -0.31 -0.42 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 3f2m s THR 173 CO 0.34 -0.27 0.89 0.79 -2.21 0.00 0.00 174.62 174.16 3f2m n TRP 174 N 1.80 0.07 -3.17 9.09 8.01 -1.26 -1.39 117.44 130.59 3f2m n TRP 174 Ca -0.20 -0.31 0.03 0.00 -1.31 0.00 0.00 57.50 55.70 3f2m n TRP 174 Cb 0.56 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.31 29.82 3f2m n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3f2m s ASP 175 N -0.71 -1.26 0.28 -0.99 2.15 -1.23 -4.63 116.67 110.27 3f2m s ASP 175 Ca 0.05 0.64 0.03 0.00 0.43 0.00 0.00 52.55 53.70 3f2m s ASP 175 Cb 0.03 2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 44.64 3f2m s ASP 175 CO 0.04 -0.27 0.17 0.00 -0.17 0.00 0.00 175.17 174.93 3f2m s ARG 176 N 2.82 1.51 0.17 4.34 1.70 0.14 -5.00 118.95 124.63 3f2m s ARG 176 Ca 0.18 -1.85 -0.26 0.00 -0.47 0.00 0.00 55.73 53.33 3f2m s ARG 176 Cb -0.14 0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 34.22 3f2m s ARG 176 CO -0.22 -0.46 0.80 0.42 -1.08 0.00 0.00 175.30 174.76 3f2m s ILE 177 N -3.73 4.36 -0.10 4.99 1.01 -1.26 -3.95 121.20 122.52 3f2m s ILE 177 Ca 0.38 1.75 0.03 0.00 0.00 0.00 0.00 60.65 62.80 3f2m s ILE 177 Cb 0.05 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3f2m s ILE 177 CO 0.18 0.51 -0.18 -0.22 0.00 0.00 0.00 174.94 175.23 3f2m s LEU 178 N -1.07 1.86 -0.03 2.97 2.96 -0.69 -4.83 118.68 119.85 3f2m s LEU 178 Ca 0.37 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3f2m s LEU 178 Cb -0.23 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.30 3f2m s LEU 178 CO 0.27 0.07 0.08 -0.55 -1.32 0.00 0.00 176.35 174.89 3f2m s SER 179 N 0.69 -0.07 0.19 3.68 0.15 -1.26 -0.56 113.70 116.51 3f2m s SER 179 Ca -0.12 0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 3f2m s SER 179 Cb -0.16 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 3f2m s SER 179 CO 0.03 -0.04 0.44 0.28 1.20 0.00 0.00 173.24 175.15 3f2m s THR 180 N -0.00 0.04 -0.25 6.45 -1.32 -0.80 -1.29 115.64 118.47 3f2m s THR 180 Ca -0.00 -1.01 -0.05 0.00 -1.21 0.00 0.00 61.69 59.42 3f2m s THR 180 Cb -0.01 -1.69 -0.00 0.00 -1.51 0.00 0.00 72.50 69.29 3f2m s THR 180 CO 0.00 -0.18 -0.00 -1.81 -2.21 0.00 0.00 174.62 170.42 3f2m s ASP 181 N -2.91 4.61 -0.07 8.08 1.01 -1.26 -1.40 116.67 124.73 3f2m s ASP 181 Ca 0.12 -0.54 -0.28 0.00 0.71 0.00 0.00 52.55 52.57 3f2m s ASP 181 Cb 0.00 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 3f2m s ASP 181 CO -0.01 -0.09 0.90 -0.69 0.21 0.00 0.00 175.17 175.49 3f2m s VAL 182 N 1.47 4.89 -0.22 -1.27 1.01 0.93 -4.29 120.40 122.93 3f2m s VAL 182 Ca 0.04 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3f2m s VAL 182 Cb -0.16 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.04 3f2m s VAL 182 CO -0.01 0.11 -0.14 -0.62 0.00 0.00 0.00 175.10 174.44 3f2m s ASP 183 N 1.01 3.85 -0.05 3.32 -1.08 -1.10 -2.81 116.67 119.82 3f2m s ASP 183 Ca 0.45 -0.97 0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3f2m s ASP 183 Cb -0.19 -1.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 3f2m s ASP 183 CO 0.20 -0.10 -0.14 0.00 0.52 0.00 0.00 175.17 175.66 3f2m s ALA 184 N 1.23 1.28 -0.05 3.66 0.00 -0.56 -1.30 121.76 126.02 3f2m s ALA 184 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3f2m s ALA 184 Cb -0.16 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3f2m s ALA 184 CO -0.08 0.19 -0.13 0.99 0.00 0.00 0.00 175.76 176.72 3f2m s THR 185 N 0.30 1.16 -0.11 0.00 2.01 0.19 -1.28 115.64 117.92 3f2m s THR 185 Ca -0.08 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3f2m s THR 185 Cb -0.12 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 3f2m s THR 185 CO 0.02 0.35 -0.17 -1.66 -0.69 0.00 0.00 174.62 172.47 3f2m s TRP 186 N 0.36 2.70 -0.24 4.92 -2.14 0.22 0.17 118.94 124.92 3f2m s TRP 186 Ca -0.09 -0.70 -0.09 0.00 2.66 0.00 0.00 56.10 57.88 3f2m s TRP 186 Cb -0.13 -1.76 -0.04 0.00 -3.10 0.00 0.00 33.47 28.44 3f2m s TRP 186 CO 0.03 -0.22 0.13 -1.14 -2.66 0.00 0.00 176.95 173.09 3f2m s GLN 187 N 0.17 3.93 0.44 3.25 0.74 -0.25 -0.94 119.66 127.01 3f2m s GLN 187 Ca -0.10 -0.34 -0.21 0.00 0.05 0.00 0.00 55.36 54.77 3f2m s GLN 187 Cb -0.16 -3.46 -0.11 0.00 1.10 0.00 0.00 33.01 30.39 3f2m s GLN 187 CO 0.06 -0.01 0.96 -1.58 -0.55 0.00 0.00 175.29 174.17 3f2m s TRP 188 N 1.20 3.29 0.67 1.67 0.52 -0.73 0.14 118.94 125.71 3f2m s TRP 188 Ca 0.06 1.60 -0.17 0.00 0.02 0.00 0.00 56.10 57.61 3f2m s TRP 188 Cb -0.14 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.32 3f2m s TRP 188 CO 0.05 -0.19 1.28 0.36 0.02 0.00 0.00 176.95 178.48 3f2m n LYS 189 N -0.71 0.97 -1.72 4.98 2.85 0.19 -4.61 118.16 120.11 3f2m n LYS 189 Ca 0.07 0.39 -0.42 0.00 -1.05 0.00 0.00 58.31 57.30 3f2m n LYS 189 Cb 0.54 -2.52 -0.01 0.00 -0.65 0.00 0.00 35.03 32.39 3f2m n LYS 189 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3f2m n ASN 190 N -2.13 3.09 -4.71 -5.58 2.85 -1.26 -4.82 115.26 102.71 3f2m n ASN 190 Ca 0.16 1.20 -0.31 0.00 -0.11 0.00 0.00 54.58 55.52 3f2m n ASN 190 Cb 0.48 -1.52 -0.08 0.00 1.24 0.00 0.00 39.78 39.91 3f2m n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3f2m s PHE 191 N -0.91 3.09 0.03 1.20 0.08 -0.56 -4.95 117.98 115.97 3f2m s PHE 191 Ca 0.57 0.05 0.24 0.00 0.12 0.00 0.00 56.93 57.92 3f2m s PHE 191 Cb -0.55 -1.62 0.83 0.00 -0.57 0.00 0.00 43.02 41.12 3f2m s PHE 191 CO 0.60 0.49 1.78 0.66 -0.10 0.00 0.00 175.22 178.66 3f2m h SER 192 N 3.76 0.00 0.00 1.36 4.64 -1.93 0.62 113.55 122.01 3f2m h SER 192 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3f2m h SER 192 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3f2m h SER 192 CO 0.61 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 3f2m n GLY 193 N 0.36 -1.45 0.31 -0.77 0.00 -1.26 -4.31 105.19 98.06 3f2m n GLY 193 Ca 0.01 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 3f2m n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f2m h LEU 194 N 0.00 0.91 -0.88 0.99 6.46 -1.93 -1.88 115.31 118.98 3f2m h LEU 194 Ca 0.00 -0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3f2m h LEU 194 Cb 0.00 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.65 3f2m h LEU 194 CO 0.00 0.90 0.58 -0.61 -0.62 0.00 0.00 178.44 178.69 3f2m h GLN 195 N 0.92 1.15 -0.39 1.25 4.15 -1.99 0.97 115.11 121.16 3f2m h GLN 195 Ca 0.19 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.43 3f2m h GLN 195 Cb 0.37 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3f2m h GLN 195 CO 0.01 0.76 -0.21 1.49 -1.93 0.00 0.00 178.83 178.95 3f2m h GLU 196 N 1.18 0.84 -0.51 1.69 4.81 -1.76 -1.70 114.58 119.12 3f2m h GLU 196 Ca 0.32 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3f2m h GLU 196 Cb -0.12 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3f2m h GLU 196 CO -0.07 1.01 0.25 0.28 -0.73 0.00 0.00 179.01 179.74 3f2m h VAL 197 N 0.64 0.94 -0.69 0.32 2.07 -0.65 -1.46 116.25 117.42 3f2m h VAL 197 Ca 0.09 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3f2m h VAL 197 Cb 0.77 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3f2m h VAL 197 CO 0.06 0.09 0.45 0.03 0.02 0.00 0.00 177.57 178.22 3f2m h ARG 198 N 0.48 0.68 0.00 1.57 3.08 -0.55 -2.12 114.38 117.52 3f2m h ARG 198 Ca 0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3f2m h ARG 198 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3f2m h ARG 198 CO -0.17 0.45 0.00 0.66 -1.07 0.00 0.00 179.97 179.84 3f2m h SER 199 N 0.70 0.00 -0.35 7.04 4.64 -0.33 -2.83 113.55 122.42 3f2m h SER 199 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3f2m h SER 199 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3f2m h SER 199 CO -0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.27 3f2m n HIS 200 N -2.81 0.46 -0.27 4.77 8.25 -0.81 -4.79 115.22 120.02 3f2m n HIS 200 Ca 0.01 -0.44 0.08 0.00 -0.26 0.00 0.00 57.72 57.11 3f2m n HIS 200 Cb 0.26 -0.02 0.21 0.00 1.12 0.00 0.00 29.99 31.56 3f2m n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3f2m h VAL 201 N 2.34 0.36 0.00 1.59 2.07 -1.36 0.02 116.25 121.27 3f2m h VAL 201 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3f2m h VAL 201 Cb 0.74 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3f2m h VAL 201 CO 0.00 0.03 -0.05 -0.65 0.02 0.00 0.00 177.57 176.92 3f2m h PRO 202 N 0.17 0.00 0.00 1.57 0.11 -1.86 -1.93 132.00 130.06 3f2m h PRO 202 Ca 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 3f2m h PRO 202 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3f2m h PRO 202 CO -0.63 0.05 -0.07 0.87 -0.21 0.00 0.00 178.00 178.01 3f2m h LYS 203 N 0.00 0.00 0.13 1.05 1.57 -1.37 -3.20 116.57 114.75 3f2m h LYS 203 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3f2m h LYS 203 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3f2m h LYS 203 CO 0.01 0.07 -0.06 0.74 -0.57 0.00 0.00 179.45 179.63 3f2m h PHE 204 N 0.00 -0.16 -0.29 -1.35 0.04 -1.43 -0.75 116.94 113.01 3f2m h PHE 204 Ca -0.00 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3f2m h PHE 204 Cb 0.54 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3f2m h PHE 204 CO 0.00 0.30 -0.24 -0.44 -0.60 0.00 0.00 178.31 177.33 3f2m h ASP 205 N -0.71 0.55 -0.60 2.17 3.32 -1.74 -1.93 116.42 117.47 3f2m h ASP 205 Ca -0.02 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 3f2m h ASP 205 Cb 0.53 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3f2m h ASP 205 CO 0.03 0.78 -0.01 0.00 -1.72 0.00 0.00 179.24 178.32 3f2m h ALA 206 N 1.27 0.84 -0.12 3.45 0.00 -1.54 -1.14 119.26 122.01 3f2m h ALA 206 Ca 0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 3f2m h ALA 206 Cb 0.67 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3f2m h ALA 206 CO 0.05 0.67 -0.82 1.15 0.00 0.00 0.00 179.25 180.30 3f2m h THR 207 N 0.97 1.28 -0.17 0.00 2.02 -0.99 -1.31 112.91 114.73 3f2m h THR 207 Ca 0.17 -2.03 0.04 0.00 0.77 0.00 0.00 66.41 65.36 3f2m h THR 207 Cb 0.57 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 3f2m h THR 207 CO 0.03 0.64 -0.09 -0.25 0.37 0.00 0.00 175.52 176.22 3f2m h TRP 208 N 0.50 -0.21 -0.99 3.16 7.01 -1.27 0.99 115.95 125.14 3f2m h TRP 208 Ca -0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.99 3f2m h TRP 208 Cb 1.45 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.57 3f2m h TRP 208 CO 0.09 -0.14 0.65 0.00 -2.79 0.00 0.00 178.44 176.24 3f2m h ALA 209 N 1.07 1.31 -0.37 2.65 0.00 -1.12 -1.51 119.26 121.28 3f2m h ALA 209 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3f2m h ALA 209 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3f2m h ALA 209 CO -0.22 0.55 0.00 1.15 0.00 0.00 0.00 179.25 180.74 3f2m h THR 210 N 1.26 1.26 -0.48 0.00 2.02 -0.78 -0.60 112.91 115.59 3f2m h THR 210 Ca 0.39 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3f2m h THR 210 Cb -0.01 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3f2m h THR 210 CO -0.12 0.33 0.31 0.00 0.37 0.00 0.00 175.52 176.41 3f2m h ALA 211 N 0.88 0.61 -0.37 6.16 0.00 -0.46 0.47 119.26 126.54 3f2m h ALA 211 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3f2m h ALA 211 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3f2m h ALA 211 CO 0.02 0.04 0.14 -0.09 0.00 0.00 0.00 179.25 179.36 3f2m h ARG 212 N 0.64 0.57 -0.37 0.00 2.43 -1.14 -1.42 114.38 115.08 3f2m h ARG 212 Ca 0.18 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3f2m h ARG 212 Cb -0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3f2m h ARG 212 CO -0.05 0.56 0.05 1.49 -1.51 0.00 0.00 179.97 180.52 3f2m h GLU 213 N 0.46 0.62 -0.66 0.20 4.81 -0.76 -1.52 114.58 117.74 3f2m h GLU 213 Ca 0.12 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3f2m h GLU 213 Cb 0.22 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3f2m h GLU 213 CO -0.01 0.69 0.33 0.28 -0.73 0.00 0.00 179.01 179.57 3f2m h VAL 214 N 0.46 1.22 -0.03 0.32 2.07 -0.93 -0.78 116.25 118.57 3f2m h VAL 214 Ca 0.11 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3f2m h VAL 214 Cb 0.38 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3f2m h VAL 214 CO 0.01 0.25 -0.02 0.74 0.02 0.00 0.00 177.57 178.57 3f2m h THR 215 N 0.91 0.94 -0.19 2.57 2.02 -0.94 -1.71 112.91 116.50 3f2m h THR 215 Ca 0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 3f2m h THR 215 Cb 0.10 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3f2m h THR 215 CO -0.03 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 175.70 3f2m h LEU 216 N -0.02 0.41 -0.13 2.58 3.38 -1.08 -1.65 115.31 118.81 3f2m h LEU 216 Ca 0.02 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 3f2m h LEU 216 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3f2m h LEU 216 CO -0.04 0.72 0.08 0.50 0.09 0.00 0.00 178.44 179.78 3f2m h LYS 217 N 0.10 0.18 -0.68 1.13 3.64 -1.13 -0.53 116.57 119.28 3f2m h LYS 217 Ca 0.04 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3f2m h LYS 217 Cb 0.56 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3f2m h LYS 217 CO 0.03 0.18 0.11 1.15 -2.27 0.00 0.00 179.45 178.65 3f2m h THR 218 N 0.13 1.26 -0.37 1.00 2.02 -1.31 0.85 112.91 116.49 3f2m h THR 218 Ca 0.05 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3f2m h THR 218 Cb 0.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3f2m h THR 218 CO -0.01 0.39 0.12 0.15 0.37 0.00 0.00 175.52 176.54 3f2m h PHE 219 N 1.04 0.59 -0.20 3.16 3.57 -1.03 0.52 116.94 124.60 3f2m h PHE 219 Ca 0.21 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 3f2m h PHE 219 Cb 0.44 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3f2m h PHE 219 CO 0.03 0.56 -0.55 0.00 -2.23 0.00 0.00 178.31 176.13 3f2m h ALA 220 N 0.96 0.68 0.00 2.41 0.00 -0.85 -3.34 119.26 119.12 3f2m h ALA 220 Ca 0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3f2m h ALA 220 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3f2m h ALA 220 CO -0.00 0.69 -1.69 0.39 0.00 0.00 0.00 179.25 178.64 3f2m n GLU 221 N -3.96 0.64 -2.19 0.00 1.02 0.27 -4.90 120.64 111.52 3f2m n GLU 221 Ca -0.03 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 3f2m n GLU 221 Cb 0.60 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3f2m n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f2m s ASP 222 N -5.09 6.83 -0.78 1.62 2.15 0.16 -4.90 116.67 116.65 3f2m s ASP 222 Ca -0.05 2.22 -0.26 0.00 0.43 0.00 0.00 52.55 54.89 3f2m s ASP 222 Cb 0.11 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 3f2m s ASP 222 CO 0.85 -0.69 1.27 0.21 -0.17 0.00 0.00 175.17 176.64 3f2m s ASN 223 N 1.58 6.23 -0.02 -0.34 2.47 -1.26 -4.84 114.94 118.76 3f2m s ASN 223 Ca 0.65 -0.72 -0.30 0.00 0.42 0.00 0.00 52.86 52.91 3f2m s ASN 223 Cb -0.34 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 36.89 3f2m s ASN 223 CO 0.28 -1.72 0.99 -0.55 -3.72 0.00 0.00 177.10 172.38 3f2m s SER 224 N 3.94 7.34 0.25 -4.21 0.15 -0.92 -4.90 113.70 115.34 3f2m s SER 224 Ca 0.35 1.64 0.20 0.00 0.70 0.00 0.00 55.95 58.84 3f2m s SER 224 Cb -0.08 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.74 3f2m s SER 224 CO 0.10 -0.31 1.21 0.00 1.20 0.00 0.00 173.24 175.44 3f2m h ALA 225 N 6.87 0.69 -1.33 5.45 0.00 -1.92 0.88 119.26 129.89 3f2m h ALA 225 Ca -0.39 -0.26 0.30 0.00 0.00 0.00 0.00 54.91 54.56 3f2m h ALA 225 Cb 1.20 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 3f2m h ALA 225 CO 0.77 0.31 0.87 -1.54 0.00 0.00 0.00 179.25 179.67 3f2m s SER 226 N -5.87 -0.08 0.19 0.00 1.04 -1.25 -4.35 113.70 103.39 3f2m s SER 226 Ca 0.02 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 3f2m s SER 226 Cb 0.08 0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.44 3f2m s SER 226 CO 0.76 -0.18 1.83 0.58 0.98 0.00 0.00 173.24 177.21 3f2m h VAL 227 N 2.00 1.09 -0.52 5.02 2.07 -1.92 -2.48 116.25 121.50 3f2m h VAL 227 Ca -0.16 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.21 3f2m h VAL 227 Cb 1.17 0.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 3f2m h VAL 227 CO 0.24 0.14 -0.08 1.56 0.02 0.00 0.00 177.57 179.44 3f2m h GLN 228 N 0.74 0.04 -0.07 1.57 7.50 -1.97 -0.28 115.11 122.64 3f2m h GLN 228 Ca 0.24 -0.00 -0.17 0.00 0.50 0.00 0.00 58.65 59.21 3f2m h GLN 228 Cb -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 3f2m h GLN 228 CO -0.09 0.02 -0.71 0.00 -1.50 0.00 0.00 178.83 176.56 3f2m h ALA 229 N 1.51 0.66 -0.10 3.87 0.00 -1.89 -2.50 119.26 120.80 3f2m h ALA 229 Ca 0.26 -0.60 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 3f2m h ALA 229 Cb 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3f2m h ALA 229 CO -0.51 0.77 -0.86 1.15 0.00 0.00 0.00 179.25 179.80 3f2m h THR 230 N 0.24 1.28 -0.06 0.00 2.02 -0.96 -2.94 112.91 112.50 3f2m h THR 230 Ca -0.02 -2.07 -0.11 0.00 0.77 0.00 0.00 66.41 64.98 3f2m h THR 230 Cb 1.27 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 3f2m h THR 230 CO 0.12 0.65 -0.47 0.00 0.37 0.00 0.00 175.52 176.19 3f2m h MET 231 N 0.48 0.13 -0.58 6.66 -0.00 -1.03 -2.35 114.93 118.24 3f2m h MET 231 Ca -0.08 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.70 59.52 3f2m h MET 231 Cb 1.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.07 3f2m h MET 231 CO 0.17 0.58 0.24 -0.92 -0.00 0.00 0.00 176.91 176.98 3f2m h TYR 232 N 0.11 0.88 -0.96 -0.10 3.20 -1.43 -1.90 116.97 116.78 3f2m h TYR 232 Ca 0.01 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 3f2m h TYR 232 Cb 0.87 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 3f2m h TYR 232 CO 0.01 0.70 0.59 0.87 -1.64 0.00 0.00 178.16 178.69 3f2m h LYS 233 N 0.80 1.29 0.10 1.82 1.57 -1.29 -1.00 116.57 119.85 3f2m h LYS 233 Ca 0.19 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3f2m h LYS 233 Cb 0.19 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3f2m h LYS 233 CO -0.02 0.88 -0.06 0.52 -0.57 0.00 0.00 179.45 180.21 3f2m h MET 234 N 1.31 -0.15 -0.61 3.15 2.86 -1.14 -2.78 114.93 117.57 3f2m h MET 234 Ca 0.35 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 3f2m h MET 234 Cb -0.08 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3f2m h MET 234 CO -0.07 -0.10 0.08 0.00 1.06 0.00 0.00 176.91 177.89 3f2m h ALA 235 N 0.74 1.00 -0.55 6.32 0.00 -1.02 -2.62 119.26 123.14 3f2m h ALA 235 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3f2m h ALA 235 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3f2m h ALA 235 CO 0.01 0.63 0.26 1.49 0.00 0.00 0.00 179.25 181.64 3f2m h GLU 236 N 0.93 0.48 -0.55 0.00 4.81 -1.18 -2.59 114.58 116.48 3f2m h GLU 236 Ca 0.19 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3f2m h GLU 236 Cb 0.43 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3f2m h GLU 236 CO 0.01 0.32 -0.09 1.96 -0.73 0.00 0.00 179.01 180.48 3f2m h GLN 237 N 0.50 1.03 -0.53 1.92 4.20 -1.19 -2.55 115.11 118.49 3f2m h GLN 237 Ca 0.25 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3f2m h GLN 237 Cb 0.19 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3f2m h GLN 237 CO -0.19 1.07 0.27 0.82 -0.67 0.00 0.00 178.83 180.12 3f2m h ILE 238 N 0.92 1.19 -0.07 2.54 2.04 -1.23 -1.87 117.51 121.04 3f2m h ILE 238 Ca 0.15 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3f2m h ILE 238 Cb 0.66 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3f2m h ILE 238 CO 0.05 0.22 -0.17 -0.07 0.00 0.00 0.00 178.15 178.18 3f2m h LEU 239 N 0.72 0.10 -0.62 1.44 3.38 -1.43 -2.03 115.31 116.86 3f2m h LEU 239 Ca 0.18 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3f2m h LEU 239 Cb 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3f2m h LEU 239 CO -0.03 0.28 -0.69 0.00 0.09 0.00 0.00 178.44 178.10 3f2m h ALA 240 N 1.73 0.86 -0.01 1.53 0.00 -0.99 -3.27 119.26 119.12 3f2m h ALA 240 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3f2m h ALA 240 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f2m h ALA 240 CO 0.02 0.86 -0.38 0.54 0.00 0.00 0.00 179.25 180.29 3f2m n ARG 241 N -3.72 0.72 -3.39 0.00 1.74 -0.75 -4.79 116.66 106.47 3f2m n ARG 241 Ca -0.01 -0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 56.47 3f2m n ARG 241 Cb 0.67 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 3f2m n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3f2m s GLN 242 N -2.61 0.30 0.35 5.56 2.00 -0.98 -5.02 119.66 119.27 3f2m s GLN 242 Ca 0.20 0.43 0.26 0.00 -2.00 0.00 0.00 55.36 54.25 3f2m s GLN 242 Cb 0.19 -0.70 0.80 0.00 0.80 0.00 0.00 33.01 34.10 3f2m s GLN 242 CO 0.58 -0.65 1.75 1.96 -0.50 0.00 0.00 175.29 178.43 3f2m h GLN 243 N 8.22 0.00 0.00 1.67 1.08 -1.87 -2.94 115.11 121.27 3f2m h GLN 243 Ca -0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 3f2m h GLN 243 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3f2m h GLN 243 CO 0.28 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.44 3f2m n LEU 244 N -2.67 0.00 -4.72 1.46 4.32 -1.26 -4.76 117.00 109.37 3f2m n LEU 244 Ca 0.04 0.39 -0.41 0.00 -0.02 0.00 0.00 56.01 56.01 3f2m n LEU 244 Cb 0.40 -0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 41.77 3f2m n LEU 244 CO 0.29 -0.01 0.53 -0.63 -1.22 0.00 0.00 177.39 176.35 3f2m s ILE 245 N -2.78 4.88 -0.14 -0.08 -1.09 -1.11 -0.64 121.20 120.25 3f2m s ILE 245 Ca 0.21 1.75 -0.07 0.00 -2.23 0.00 0.00 60.65 60.31 3f2m s ILE 245 Cb 0.19 -4.18 -0.25 0.00 -1.58 0.00 0.00 42.46 36.65 3f2m s ILE 245 CO 0.48 0.24 0.30 -0.62 -1.23 0.00 0.00 174.94 174.11 3f2m n GLU 246 N 3.57 0.74 -3.91 2.79 1.02 0.12 -4.86 120.64 120.11 3f2m n GLU 246 Ca 0.01 0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3f2m n GLU 246 Cb 0.51 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 3f2m n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3f2m s THR 247 N -2.55 0.13 -0.07 2.62 -4.23 -1.22 -3.99 115.64 106.33 3f2m s THR 247 Ca -0.24 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 3f2m s THR 247 Cb 0.07 -0.89 0.01 0.00 1.34 0.00 0.00 72.50 73.02 3f2m s THR 247 CO 0.74 -0.58 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.39 3f2m s VAL 248 N -2.59 1.42 -0.05 2.29 1.01 -0.50 -1.09 120.40 120.89 3f2m s VAL 248 Ca -0.05 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3f2m s VAL 248 Cb -0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3f2m s VAL 248 CO -0.04 0.42 -0.23 -0.70 0.00 0.00 0.00 175.10 174.54 3f2m s GLU 249 N 0.44 2.46 0.00 2.72 2.12 0.13 -0.83 118.70 125.74 3f2m s GLU 249 Ca -0.13 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.41 3f2m s GLU 249 Cb -0.15 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 3f2m s GLU 249 CO 0.05 0.45 -0.26 0.71 -0.54 0.00 0.00 175.26 175.67 3f2m s TYR 250 N -0.33 2.34 -0.15 5.30 2.02 -0.39 -0.63 117.35 125.52 3f2m s TYR 250 Ca 0.02 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3f2m s TYR 250 Cb -0.12 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3f2m s TYR 250 CO 0.02 0.03 -0.04 0.45 -1.57 0.00 0.00 175.55 174.44 3f2m s SER 251 N -0.83 2.55 -0.17 2.29 0.15 -0.42 -1.73 113.70 115.54 3f2m s SER 251 Ca 0.11 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3f2m s SER 251 Cb -0.10 -0.79 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 3f2m s SER 251 CO 0.00 -0.19 -0.08 -0.76 1.20 0.00 0.00 173.24 173.41 3f2m s LEU 252 N 1.72 1.82 0.48 3.45 1.43 0.34 -2.72 118.68 125.20 3f2m s LEU 252 Ca 0.02 -0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 52.19 3f2m s LEU 252 Cb -0.15 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.97 3f2m s LEU 252 CO -0.07 -0.16 1.16 -2.16 0.23 0.00 0.00 176.35 175.35 3f2m s PRO 253 N 1.55 3.67 -0.49 1.29 0.04 -1.26 -1.40 135.00 138.40 3f2m s PRO 253 Ca 0.01 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 3f2m s PRO 253 Cb -0.15 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.14 3f2m s PRO 253 CO -0.08 -0.62 0.45 1.21 0.04 0.00 0.00 177.00 178.00 3f2m s ASN 254 N -1.44 6.17 -0.54 6.66 2.47 -0.02 -4.33 114.94 123.92 3f2m s ASN 254 Ca 0.65 -1.33 -0.21 0.00 0.42 0.00 0.00 52.86 52.40 3f2m s ASN 254 Cb -0.28 -2.21 0.06 0.00 -1.45 0.00 0.00 41.25 37.38 3f2m s ASN 254 CO 0.33 -0.73 0.74 -0.54 -3.72 0.00 0.00 177.10 173.19 3f2m s LYS 255 N 1.81 3.16 0.24 0.43 1.02 -0.41 -3.02 119.74 122.98 3f2m s LYS 255 Ca 0.06 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3f2m s LYS 255 Cb -0.24 -4.12 -0.09 0.00 -0.52 0.00 0.00 37.83 32.86 3f2m s LYS 255 CO 0.07 -1.38 1.06 -1.01 -0.92 0.00 0.00 175.35 173.18 3f2m s HIS 256 N 3.08 3.67 -0.22 3.18 3.76 -1.26 -4.25 115.29 123.25 3f2m s HIS 256 Ca 0.19 1.72 -0.01 0.00 -0.15 0.00 0.00 55.06 56.81 3f2m s HIS 256 Cb -0.18 -3.21 0.02 0.00 1.11 0.00 0.00 32.58 30.32 3f2m s HIS 256 CO 0.13 -0.34 -0.11 0.71 -0.85 0.00 0.00 174.74 174.28 3f2m s TYR 257 N -0.92 2.97 -0.07 1.40 1.51 -1.26 -0.88 117.35 120.10 3f2m s TYR 257 Ca 0.45 -1.55 -0.12 0.00 -1.01 0.00 0.00 57.07 54.84 3f2m s TYR 257 Cb -0.30 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 3f2m s TYR 257 CO 0.37 -0.74 0.29 -0.06 -1.11 0.00 0.00 175.55 174.31 3f2m s PHE 258 N 1.32 3.63 0.63 2.71 0.40 -0.17 -4.85 117.98 121.65 3f2m s PHE 258 Ca 0.02 0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 56.92 3f2m s PHE 258 Cb -0.15 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 3f2m s PHE 258 CO -0.07 0.59 1.16 0.39 0.70 0.00 0.00 175.22 177.99 3f2m n GLU 259 N 2.25 1.02 -4.04 0.44 1.02 -1.26 -0.93 120.64 119.14 3f2m n GLU 259 Ca -0.16 0.40 -0.33 0.00 -0.02 0.00 0.00 57.16 57.05 3f2m n GLU 259 Cb 0.53 -2.39 -0.15 0.00 -0.02 0.00 0.00 31.44 29.41 3f2m n GLU 259 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3f2m s ILE 260 N -1.44 2.43 -0.19 -3.67 1.01 -1.25 -4.79 121.20 113.30 3f2m s ILE 260 Ca 0.80 -1.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3f2m s ILE 260 Cb -0.39 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 3f2m s ILE 260 CO 0.43 0.29 1.08 -0.62 0.00 0.00 0.00 174.94 176.12 3f2m s ASP 261 N 1.27 7.10 0.00 3.58 -1.08 -1.26 -4.61 116.67 121.66 3f2m s ASP 261 Ca 0.00 1.49 0.06 0.00 -0.52 0.00 0.00 52.55 53.58 3f2m s ASP 261 Cb -0.16 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 38.93 3f2m s ASP 261 CO -0.08 -0.64 1.09 0.18 0.52 0.00 0.00 175.17 176.24 3f2m n LEU 262 N 6.07 2.42 0.28 -1.34 4.77 -1.26 -4.70 117.00 123.25 3f2m n LEU 262 Ca 0.12 -1.86 0.17 0.00 -0.03 0.00 0.00 56.01 54.40 3f2m n LEU 262 Cb 0.46 -0.12 0.78 0.00 -2.33 0.00 0.00 43.42 42.22 3f2m n LEU 262 CO 0.53 0.60 1.01 0.77 -1.33 0.00 0.00 177.39 178.96 3f2m h SER 263 N 1.24 0.00 0.27 -1.43 4.64 -1.74 0.60 113.55 117.13 3f2m h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f2m h SER 263 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3f2m h SER 263 CO 0.00 0.06 0.00 4.11 -0.87 0.00 0.00 176.83 180.13 3f2m h TRP 264 N 0.00 0.00 -3.42 4.77 5.08 -1.85 -2.44 115.95 118.09 3f2m h TRP 264 Ca -0.00 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 59.24 3f2m h TRP 264 Cb 0.39 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 26.24 3f2m h TRP 264 CO 0.00 0.00 -0.34 -1.58 -1.28 0.00 0.00 178.44 175.24 3f2m s HIS 265 N -3.88 3.48 -1.55 0.12 5.04 0.20 -4.69 115.29 114.02 3f2m s HIS 265 Ca -0.03 -2.09 -0.04 0.00 -1.54 0.00 0.00 55.06 51.37 3f2m s HIS 265 Cb 0.11 -3.46 0.01 0.00 0.04 0.00 0.00 32.58 29.28 3f2m s HIS 265 CO 0.40 -0.97 0.41 1.63 -2.34 0.00 0.00 174.74 173.87 3f2m n LYS 266 N 4.52 -3.79 -2.56 2.88 5.02 -1.26 -1.90 118.16 121.07 3f2m n LYS 266 Ca -0.02 0.86 -0.18 0.00 -2.02 0.00 0.00 58.31 56.95 3f2m n LYS 266 Cb 0.41 -5.65 -0.00 0.00 -0.02 0.00 0.00 35.03 29.77 3f2m n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f2m n GLY 267 N -1.31 -0.50 3.74 0.72 0.00 -0.92 -4.92 105.19 101.99 3f2m n GLY 267 Ca -0.14 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3f2m n GLY 267 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2m s LEU 268 N -5.98 4.39 -0.33 0.99 2.96 -0.80 -4.81 118.68 115.10 3f2m s LEU 268 Ca 0.06 2.59 -0.10 0.00 -0.22 0.00 0.00 54.13 56.46 3f2m s LEU 268 Cb -0.03 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3f2m s LEU 268 CO 0.08 -0.65 0.17 -1.10 -1.32 0.00 0.00 176.35 173.52 3f2m s GLN 269 N -0.26 3.21 0.00 1.98 -1.52 -1.26 -2.11 119.66 119.69 3f2m s GLN 269 Ca 0.59 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 53.25 3f2m s GLN 269 Cb -0.40 -3.62 0.10 0.00 -0.22 0.00 0.00 33.01 28.87 3f2m s GLN 269 CO 0.41 -0.49 1.01 -1.71 -0.25 0.00 0.00 175.29 174.26 3f2m n ASN 270 N 4.99 0.21 -4.42 5.90 5.15 -1.26 -4.74 115.26 121.09 3f2m n ASN 270 Ca -0.13 -1.93 -0.21 0.00 -0.60 0.00 0.00 54.58 51.70 3f2m n ASN 270 Cb 0.48 -0.20 -0.10 0.00 -0.53 0.00 0.00 39.78 39.43 3f2m n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3f2m s THR 271 N 0.00 1.90 0.00 -0.44 -4.23 -1.26 -3.79 115.64 107.82 3f2m s THR 271 Ca 0.08 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3f2m s THR 271 Cb 0.09 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3f2m s THR 271 CO -0.04 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3f2m n GLY 272 N -0.54 3.50 0.19 3.99 0.00 -1.26 -1.05 105.19 110.02 3f2m n GLY 272 Ca -0.06 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3f2m n GLY 272 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f2m h LYS 273 N 0.00 0.00 -0.22 1.61 6.56 -1.99 -2.09 116.57 120.44 3f2m h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3f2m h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3f2m h LYS 273 CO 0.00 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.48 3f2m n ASN 274 N -2.50 2.97 -4.67 0.86 5.03 -0.22 -4.96 115.26 111.78 3f2m n ASN 274 Ca 0.01 -1.93 -0.43 0.00 0.87 0.00 0.00 54.58 53.10 3f2m n ASN 274 Cb 0.19 -0.14 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 3f2m n ASN 274 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f2m s ALA 275 N -1.73 3.62 0.00 5.41 0.00 -0.79 -4.24 121.76 124.03 3f2m s ALA 275 Ca 0.35 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3f2m s ALA 275 Cb 0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3f2m s ALA 275 CO 0.31 -1.10 0.00 0.39 0.00 0.00 0.00 175.76 175.36 3f2m n GLU 276 N 6.27 0.30 -4.32 0.00 1.02 -1.26 -4.96 120.64 117.70 3f2m n GLU 276 Ca 0.14 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 3f2m n GLU 276 Cb 0.45 -0.89 -0.12 0.00 -0.02 0.00 0.00 31.44 30.85 3f2m n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f2m s VAL 277 N -1.79 3.90 0.19 2.62 1.01 -1.26 -5.10 120.40 119.98 3f2m s VAL 277 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3f2m s VAL 277 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3f2m s VAL 277 CO 0.00 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 3f2m s PHE 278 N 0.52 1.70 -0.39 5.22 0.40 -1.26 -3.86 117.98 120.31 3f2m s PHE 278 Ca -0.03 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 55.66 3f2m s PHE 278 Cb -0.14 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.64 3f2m s PHE 278 CO 0.03 0.34 0.21 0.00 0.70 0.00 0.00 175.22 176.50 3f2m s ALA 279 N -2.80 3.22 0.30 5.36 0.00 -0.11 -4.90 121.76 122.84 3f2m s ALA 279 Ca 0.21 -1.99 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 3f2m s ALA 279 Cb -0.02 -2.54 -0.10 0.00 0.00 0.00 0.00 23.12 20.46 3f2m s ALA 279 CO 0.07 -1.53 1.43 -2.14 0.00 0.00 0.00 175.76 173.58 3f2m s PRO 280 N 1.43 4.24 -0.21 0.00 0.02 -1.26 -1.00 135.00 138.22 3f2m s PRO 280 Ca 0.02 2.37 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 3f2m s PRO 280 Cb -0.21 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3f2m s PRO 280 CO 0.03 -0.40 0.07 -0.65 -0.33 0.00 0.00 177.00 175.72 3f2m s GLN 281 N -1.14 3.88 0.22 5.54 -1.52 -0.06 -4.92 119.66 121.65 3f2m s GLN 281 Ca 0.55 -0.38 0.01 0.00 -1.95 0.00 0.00 55.36 53.59 3f2m s GLN 281 Cb -0.43 -3.28 0.19 0.00 -0.22 0.00 0.00 33.01 29.28 3f2m s GLN 281 CO 0.51 0.10 1.54 0.77 -0.25 0.00 0.00 175.29 177.96 3f2m h SER 282 N 7.27 0.43 -4.73 5.90 0.02 -1.94 -3.39 113.55 117.12 3f2m h SER 282 Ca -0.37 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.41 3f2m h SER 282 Cb 1.17 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.44 3f2m h SER 282 CO 0.65 0.91 0.41 1.51 -1.14 0.00 0.00 176.83 179.17 3f2m s ASP 283 N -6.91 -0.43 1.23 3.07 1.47 -1.26 -4.81 116.67 109.02 3f2m s ASP 283 Ca -0.06 0.04 -0.20 0.00 1.18 0.00 0.00 52.55 53.51 3f2m s ASP 283 Cb 0.12 0.45 0.30 0.00 -0.34 0.00 0.00 42.92 43.44 3f2m s ASP 283 CO 0.82 -0.71 1.12 -0.81 0.68 0.00 0.00 175.17 176.27 3f2m n PRO 284 N -0.20 -2.98 -3.81 2.11 -0.04 -1.26 -5.12 135.00 123.69 3f2m n PRO 284 Ca -0.11 -1.79 -0.12 0.00 -0.04 0.00 0.00 63.50 61.44 3f2m n PRO 284 Cb 0.62 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 3f2m n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f2m s ASN 285 N -4.60 -0.16 0.66 3.54 4.22 -1.26 -4.73 114.94 112.59 3f2m s ASN 285 Ca 0.72 0.27 -0.18 0.00 -2.14 0.00 0.00 52.86 51.52 3f2m s ASN 285 Cb -0.07 0.37 -0.01 0.00 1.28 0.00 0.00 41.25 42.83 3f2m s ASN 285 CO 0.55 -0.15 1.29 -0.83 -2.04 0.00 0.00 177.10 175.92 3f2m s GLY 286 N -0.28 2.84 -0.05 0.45 0.00 -1.17 -4.83 107.32 104.29 3f2m s GLY 286 Ca -0.04 1.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 3f2m s GLY 286 CO 0.01 1.64 0.03 -2.27 0.00 0.00 0.00 173.10 172.50 3f2m s LEU 287 N -4.43 0.49 -0.09 0.66 2.96 -1.26 -0.84 118.68 116.17 3f2m s LEU 287 Ca 0.82 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3f2m s LEU 287 Cb -0.37 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.07 3f2m s LEU 287 CO 0.40 -0.20 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.46 3f2m s ILE 288 N 1.89 1.39 0.08 6.68 -1.09 -0.49 -4.99 121.20 124.66 3f2m s ILE 288 Ca 0.02 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 3f2m s ILE 288 Cb -0.12 -1.27 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 3f2m s ILE 288 CO -0.04 0.42 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.38 3f2m s LYS 289 N 0.88 0.97 -0.05 2.79 1.02 -1.26 -0.50 119.74 123.58 3f2m s LYS 289 Ca -0.09 -1.03 -0.28 0.00 0.02 0.00 0.00 55.97 54.59 3f2m s LYS 289 Cb -0.15 -1.09 0.06 0.00 -0.52 0.00 0.00 37.83 36.13 3f2m s LYS 289 CO 0.01 0.25 0.62 0.00 -0.92 0.00 0.00 175.35 175.31 3f2m s THR 291 N -1.16 1.61 -0.07 0.00 2.01 -1.26 -1.26 115.64 115.51 3f2m s THR 291 Ca -0.11 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3f2m s THR 291 Cb -0.01 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 3f2m s THR 291 CO 0.09 0.46 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.59 3f2m s VAL 292 N 0.87 2.53 0.00 3.82 1.01 -0.01 -4.97 120.40 123.64 3f2m s VAL 292 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3f2m s VAL 292 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3f2m s VAL 292 CO -0.00 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3f2m n GLY 293 N 2.90 4.73 3.82 4.51 0.00 -1.26 -1.42 105.19 118.47 3f2m n GLY 293 Ca -0.17 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 3f2m n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f2m s ARG 294 N -0.81 3.93 0.00 1.61 0.52 -1.26 -5.03 118.95 117.91 3f2m s ARG 294 Ca 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3f2m s ARG 294 Cb 0.00 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3f2m s ARG 294 CO 0.00 0.59 0.00 0.43 0.02 0.00 0.00 175.30 176.34