#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb5 s ILE 2 N 0.00 3.96 0.25 3.17 1.01 0.60 -4.90 121.20 125.30 3mb5 s ILE 2 Ca 0.00 1.85 0.11 0.00 0.00 0.00 0.00 60.65 62.61 3mb5 s ILE 2 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3mb5 s ILE 2 CO 0.00 0.39 -0.17 -0.13 0.00 0.00 0.00 174.94 175.03 3mb5 s ARG 3 N -0.88 1.76 0.26 2.79 0.52 -1.26 -0.30 118.95 121.84 3mb5 s ARG 3 Ca 0.44 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 3mb5 s ARG 3 Cb -0.28 -1.87 -0.13 0.00 0.52 0.00 0.00 34.95 33.19 3mb5 s ARG 3 CO 0.34 0.36 1.36 -1.91 0.02 0.00 0.00 175.30 175.47 3mb5 n GLU 4 N -0.41 2.01 0.00 3.54 2.13 -1.26 -1.81 120.64 124.83 3mb5 n GLU 4 Ca -0.07 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.46 3mb5 n GLU 4 Cb 0.59 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.96 3mb5 n GLU 4 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mb5 n GLY 5 N 1.79 3.29 3.77 8.31 0.00 0.12 -5.00 105.19 117.46 3mb5 n GLY 5 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3mb5 n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mb5 s ASP 6 N -1.06 5.52 0.04 1.61 1.01 -0.75 -4.66 116.67 118.38 3mb5 s ASP 6 Ca 0.00 2.12 -0.10 0.00 0.71 0.00 0.00 52.55 55.27 3mb5 s ASP 6 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 3mb5 s ASP 6 CO 0.00 -1.35 0.37 -0.54 0.21 0.00 0.00 175.17 173.86 3mb5 s LYS 7 N -3.56 3.76 0.08 8.23 1.02 -1.26 -0.54 119.74 127.47 3mb5 s LYS 7 Ca 0.71 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3mb5 s LYS 7 Cb -0.23 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3mb5 s LYS 7 CO 0.32 0.61 -0.04 0.14 -0.92 0.00 0.00 175.35 175.45 3mb5 s VAL 8 N -1.30 0.44 -0.19 3.17 -7.23 -0.39 -4.54 120.40 110.36 3mb5 s VAL 8 Ca 0.29 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3mb5 s VAL 8 Cb -0.14 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3mb5 s VAL 8 CO 0.16 -0.92 0.06 -0.69 -0.31 0.00 0.00 175.10 173.40 3mb5 s VAL 9 N -3.78 4.64 -0.16 1.32 1.01 0.17 -1.06 120.40 122.53 3mb5 s VAL 9 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 3mb5 s VAL 9 Cb 0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3mb5 s VAL 9 CO -0.07 0.43 0.03 -0.76 0.00 0.00 0.00 175.10 174.73 3mb5 s LEU 10 N 0.64 3.65 -0.23 3.92 1.43 0.51 -0.21 118.68 128.37 3mb5 s LEU 10 Ca 0.03 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3mb5 s LEU 10 Cb -0.13 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 3mb5 s LEU 10 CO 0.02 0.20 -0.04 -0.69 0.23 0.00 0.00 176.35 176.07 3mb5 s VAL 11 N 0.18 3.32 0.86 -1.59 1.01 0.35 -0.63 120.40 123.91 3mb5 s VAL 11 Ca 0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3mb5 s VAL 11 Cb -0.13 -2.56 0.12 0.00 0.00 0.00 0.00 36.38 33.81 3mb5 s VAL 11 CO 0.01 0.35 1.22 1.51 0.00 0.00 0.00 175.10 178.20 3mb5 s ASP 12 N 1.45 4.01 0.37 3.32 1.47 -0.24 -1.02 116.67 126.04 3mb5 s ASP 12 Ca 0.05 0.63 0.27 0.00 1.18 0.00 0.00 52.55 54.68 3mb5 s ASP 12 Cb -0.15 -0.99 1.28 0.00 -0.34 0.00 0.00 42.92 42.72 3mb5 s ASP 12 CO -0.03 -2.20 1.82 -0.65 0.68 0.00 0.00 175.17 174.78 3mb5 h PRO 13 N -1.27 0.00 -0.01 2.11 0.11 -1.90 -0.78 132.00 130.27 3mb5 h PRO 13 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mb5 h PRO 13 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3mb5 h PRO 13 CO 0.57 0.00 -0.19 0.54 -0.21 0.00 0.00 178.00 178.71 3mb5 n ARG 14 N -2.47 0.78 -0.29 1.05 1.74 -1.26 -4.93 116.66 111.28 3mb5 n ARG 14 Ca 0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3mb5 n ARG 14 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3mb5 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mb5 n GLY 15 N 1.31 0.70 3.75 -0.13 0.00 -0.30 -5.06 105.19 105.46 3mb5 n GLY 15 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3mb5 n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mb5 s LYS 16 N -0.71 4.65 -0.05 1.61 2.20 -1.26 -4.74 119.74 121.44 3mb5 s LYS 16 Ca 0.00 1.72 -0.03 0.00 -0.36 0.00 0.00 55.97 57.30 3mb5 s LYS 16 Cb 0.00 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 3mb5 s LYS 16 CO 0.00 0.19 0.12 1.03 -0.36 0.00 0.00 175.35 176.33 3mb5 s ARG 17 N -0.92 3.28 -0.12 4.03 0.52 -1.26 -1.08 118.95 123.40 3mb5 s ARG 17 Ca 0.46 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3mb5 s ARG 17 Cb -0.30 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.17 3mb5 s ARG 17 CO 0.37 0.70 -0.12 0.71 0.02 0.00 0.00 175.30 176.98 3mb5 s TYR 18 N -1.16 1.80 -0.42 -0.53 2.02 0.20 -4.96 117.35 114.29 3mb5 s TYR 18 Ca 0.21 -0.91 -0.16 0.00 -0.37 0.00 0.00 57.07 55.84 3mb5 s TYR 18 Cb -0.12 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3mb5 s TYR 18 CO 0.12 -0.53 0.38 -1.17 -1.57 0.00 0.00 175.55 172.77 3mb5 s LEU 19 N 1.38 5.04 0.20 -1.29 0.20 -1.26 -0.37 118.68 122.59 3mb5 s LEU 19 Ca 0.01 -0.84 0.07 0.00 0.69 0.00 0.00 54.13 54.06 3mb5 s LEU 19 Cb -0.13 -2.27 -0.05 0.00 -0.43 0.00 0.00 46.19 43.31 3mb5 s LEU 19 CO -0.06 -0.53 -0.13 0.27 -0.29 0.00 0.00 176.35 175.60 3mb5 s ILE 20 N 1.90 1.62 -0.13 6.68 -5.25 -0.22 -4.98 121.20 120.83 3mb5 s ILE 20 Ca 0.08 -2.18 -0.13 0.00 -0.99 0.00 0.00 60.65 57.43 3mb5 s ILE 20 Cb -0.19 -2.05 -0.05 0.00 2.95 0.00 0.00 42.46 43.13 3mb5 s ILE 20 CO 0.11 -0.59 0.30 -0.89 -1.79 0.00 0.00 174.94 172.08 3mb5 s THR 21 N -3.04 5.28 -0.14 8.37 2.01 -1.26 -1.26 115.64 125.61 3mb5 s THR 21 Ca 0.22 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 3mb5 s THR 21 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3mb5 s THR 21 CO 0.06 0.45 1.29 -0.69 -0.69 0.00 0.00 174.62 175.04 3mb5 s VAL 22 N 0.03 4.21 0.22 3.82 1.01 0.30 -4.93 120.40 125.06 3mb5 s VAL 22 Ca 0.18 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3mb5 s VAL 22 Cb -0.13 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3mb5 s VAL 22 CO 0.06 -0.11 0.26 -1.54 0.00 0.00 0.00 175.10 173.77 3mb5 n SER 23 N 6.40 -0.70 -4.19 3.32 3.41 -1.26 0.12 113.62 120.71 3mb5 n SER 23 Ca 0.14 -2.29 -0.44 0.00 -0.26 0.00 0.00 58.87 56.02 3mb5 n SER 23 Cb 0.45 1.40 -0.00 0.00 -0.26 0.00 0.00 64.21 65.80 3mb5 n SER 23 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mb5 n LYS 24 N -0.38 3.85 -3.91 4.33 5.02 -1.26 -2.22 118.16 123.59 3mb5 n LYS 24 Ca 0.02 -4.50 -0.09 0.00 -2.02 0.00 0.00 58.31 51.72 3mb5 n LYS 24 Cb 0.38 -2.52 -0.07 0.00 -0.02 0.00 0.00 35.03 32.80 3mb5 n LYS 24 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3mb5 s ARG 25 N -1.89 1.09 0.20 1.97 1.70 -1.26 -4.95 118.95 115.82 3mb5 s ARG 25 Ca 0.31 -1.08 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 3mb5 s ARG 25 Cb -0.04 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 3mb5 s ARG 25 CO -0.01 -0.40 0.81 -0.51 -1.08 0.00 0.00 175.30 174.11 3mb5 s ASP 26 N -2.93 7.36 -0.19 -2.89 -0.00 -1.26 -2.04 116.67 114.72 3mb5 s ASP 26 Ca 0.13 1.67 0.01 0.00 -0.00 0.00 0.00 52.55 54.36 3mb5 s ASP 26 Cb 0.03 -2.51 0.03 0.00 -0.00 0.00 0.00 42.92 40.47 3mb5 s ASP 26 CO -0.03 0.14 -0.18 0.12 -0.00 0.00 0.00 175.17 175.22 3mb5 s PHE 27 N -1.27 2.87 -0.08 4.23 2.19 0.25 -4.95 117.98 121.22 3mb5 s PHE 27 Ca 0.39 -1.76 -0.22 0.00 0.33 0.00 0.00 56.93 55.67 3mb5 s PHE 27 Cb -0.22 -1.92 -0.04 0.00 -1.31 0.00 0.00 43.02 39.53 3mb5 s PHE 27 CO 0.26 -0.82 0.63 -1.01 1.83 0.00 0.00 175.22 176.11 3mb5 s HIS 28 N 1.26 3.56 0.30 10.12 3.76 -1.26 -0.44 115.29 132.59 3mb5 s HIS 28 Ca 0.03 1.14 0.03 0.00 -0.15 0.00 0.00 55.06 56.10 3mb5 s HIS 28 Cb -0.14 -2.72 -0.06 0.00 1.11 0.00 0.00 32.58 30.77 3mb5 s HIS 28 CO -0.12 0.13 0.07 0.95 -0.85 0.00 0.00 174.74 174.92 3mb5 s THR 29 N 0.69 0.95 -1.58 1.30 -4.23 -0.67 -5.00 115.64 107.10 3mb5 s THR 29 Ca 0.34 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.01 3mb5 s THR 29 Cb -0.17 -2.72 0.34 0.00 1.34 0.00 0.00 72.50 71.29 3mb5 s THR 29 CO 0.16 -0.02 1.45 -0.90 -0.54 0.00 0.00 174.62 174.77 3mb5 n ASP 30 N -0.59 0.00 -0.47 3.99 3.85 -1.26 -1.96 116.55 120.10 3mb5 n ASP 30 Ca -0.01 -0.10 0.08 0.00 -0.71 0.00 0.00 54.79 54.05 3mb5 n ASP 30 Cb 0.66 -0.21 0.18 0.00 -1.35 0.00 0.00 41.12 40.41 3mb5 n ASP 30 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3mb5 n LEU 31 N -1.21 3.05 0.00 -2.12 4.77 -1.26 -5.10 117.00 115.13 3mb5 n LEU 31 Ca 0.09 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 3mb5 n LEU 31 Cb 0.11 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3mb5 n LEU 31 CO 0.12 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3mb5 n GLY 32 N -0.83 -2.11 3.75 -0.72 0.00 -0.83 -4.41 105.19 100.04 3mb5 n GLY 32 Ca 0.17 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 3mb5 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mb5 s ILE 33 N -0.95 5.14 -0.12 -0.61 1.01 -1.26 -1.67 121.20 122.73 3mb5 s ILE 33 Ca 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 3mb5 s ILE 33 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3mb5 s ILE 33 CO 0.00 0.38 0.03 -0.76 0.00 0.00 0.00 174.94 174.60 3mb5 s LEU 34 N 0.24 3.73 -0.70 2.97 1.43 0.41 -0.88 118.68 125.88 3mb5 s LEU 34 Ca 0.26 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 3mb5 s LEU 34 Cb -0.16 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3mb5 s LEU 34 CO 0.11 0.33 0.88 -0.54 0.23 0.00 0.00 176.35 177.36 3mb5 s LYS 35 N -0.56 3.22 0.61 1.70 -0.14 -1.26 -0.58 119.74 122.73 3mb5 s LYS 35 Ca 0.10 -1.33 0.35 0.00 -1.36 0.00 0.00 55.97 53.73 3mb5 s LYS 35 Cb -0.12 -4.40 2.02 0.00 -1.68 0.00 0.00 37.83 33.65 3mb5 s LYS 35 CO 0.02 -1.67 2.28 -0.07 -0.76 0.00 0.00 175.35 175.16 3mb5 h LEU 36 N 10.38 0.00 -1.87 3.17 3.38 -1.62 -0.90 115.31 127.85 3mb5 h LEU 36 Ca -0.17 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3mb5 h LEU 36 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3mb5 h LEU 36 CO 1.11 0.01 0.28 -0.08 0.09 0.00 0.00 178.44 179.85 3mb5 h GLU 37 N 0.00 0.14 0.00 1.13 4.81 -1.65 -1.54 114.58 117.47 3mb5 h GLU 37 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3mb5 h GLU 37 Cb 0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3mb5 h GLU 37 CO 0.00 0.10 0.00 0.93 -0.73 0.00 0.00 179.01 179.31 3mb5 h GLU 38 N 0.15 0.00 0.00 1.92 5.08 -1.48 -1.99 114.58 118.26 3mb5 h GLU 38 Ca 0.19 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 3mb5 h GLU 38 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3mb5 h GLU 38 CO -0.03 0.00 -0.82 0.82 -1.00 0.00 0.00 179.01 177.99 3mb5 h ILE 39 N 0.00 1.41 -2.51 3.13 2.04 -1.47 -3.43 117.51 116.68 3mb5 h ILE 39 Ca 0.00 -2.98 -0.53 0.00 1.00 0.00 0.00 64.86 62.35 3mb5 h ILE 39 Cb 0.06 2.69 0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3mb5 h ILE 39 CO 0.00 0.80 1.06 -0.38 0.00 0.00 0.00 178.15 179.63 3mb5 n ILE 40 N -3.31 0.23 -0.79 -0.67 5.41 -0.75 -1.37 119.36 118.12 3mb5 n ILE 40 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3mb5 n ILE 40 Cb 0.86 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3mb5 n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mb5 n GLY 41 N 4.10 0.86 3.95 7.39 0.00 0.58 -4.99 105.19 117.08 3mb5 n GLY 41 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3mb5 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mb5 s ARG 42 N -0.21 2.26 0.16 1.61 0.52 -0.47 -4.72 118.95 118.09 3mb5 s ARG 42 Ca 0.00 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 3mb5 s ARG 42 Cb 0.00 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 3mb5 s ARG 42 CO 0.00 -1.07 -0.13 -0.80 0.02 0.00 0.00 175.30 173.33 3mb5 s ASN 43 N -4.51 4.12 0.41 0.23 0.01 -1.26 -0.29 114.94 113.65 3mb5 s ASN 43 Ca 0.60 -0.58 -0.26 0.00 -0.71 0.00 0.00 52.86 51.91 3mb5 s ASN 43 Cb -0.10 -0.66 -0.10 0.00 0.41 0.00 0.00 41.25 40.81 3mb5 s ASN 43 CO 0.42 0.13 1.29 0.49 -1.51 0.00 0.00 177.10 177.92 3mb5 n PHE 44 N 0.29 2.21 0.00 2.20 3.72 -1.26 -2.05 117.46 122.57 3mb5 n PHE 44 Ca -0.12 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 3mb5 n PHE 44 Cb 0.55 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 3mb5 n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mb5 n GLY 45 N 0.78 3.39 2.70 1.37 0.00 0.53 -5.03 105.19 108.93 3mb5 n GLY 45 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3mb5 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mb5 n GLU 46 N -1.57 -0.97 -3.94 1.61 1.02 -0.87 -4.71 120.64 111.21 3mb5 n GLU 46 Ca 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 57.16 55.62 3mb5 n GLU 46 Cb 0.00 -0.97 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 3mb5 n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mb5 s ALA 47 N -3.95 0.03 0.24 0.62 0.00 -1.26 -0.60 121.76 116.85 3mb5 s ALA 47 Ca 0.53 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.73 3mb5 s ALA 47 Cb -0.01 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3mb5 s ALA 47 CO 0.37 -0.46 -0.07 0.96 0.00 0.00 0.00 175.76 176.56 3mb5 s ILE 48 N -3.88 1.52 0.10 0.00 -4.36 -0.36 -4.97 121.20 109.25 3mb5 s ILE 48 Ca 0.06 -2.12 0.09 0.00 -0.26 0.00 0.00 60.65 58.41 3mb5 s ILE 48 Cb 0.06 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 3mb5 s ILE 48 CO -0.11 -0.40 -0.19 -0.54 0.24 0.00 0.00 174.94 173.94 3mb5 s LYS 49 N -3.74 1.81 0.97 0.37 1.02 -1.26 0.16 119.74 119.08 3mb5 s LYS 49 Ca 0.27 -1.15 -0.15 0.00 0.02 0.00 0.00 55.97 54.96 3mb5 s LYS 49 Cb 0.03 -2.10 0.18 0.00 -0.52 0.00 0.00 37.83 35.42 3mb5 s LYS 49 CO 0.09 0.49 1.19 -1.54 -0.92 0.00 0.00 175.35 174.67 3mb5 s SER 50 N -1.93 3.00 0.59 2.83 1.04 -0.06 -4.72 113.70 114.45 3mb5 s SER 50 Ca 0.16 0.67 0.38 0.00 0.48 0.00 0.00 55.95 57.65 3mb5 s SER 50 Cb -0.10 -1.02 1.85 0.00 0.10 0.00 0.00 66.02 66.85 3mb5 s SER 50 CO 0.08 -2.84 2.15 1.12 0.98 0.00 0.00 173.24 174.73 3mb5 h HIS 51 N -1.70 0.00 -0.15 5.02 -0.00 -1.30 -0.43 115.15 116.59 3mb5 h HIS 51 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3mb5 h HIS 51 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3mb5 h HIS 51 CO -0.60 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 178.96 3mb5 n LYS 52 N -3.02 1.69 -0.92 5.12 5.02 -1.26 -4.95 118.16 119.84 3mb5 n LYS 52 Ca -0.01 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 3mb5 n LYS 52 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3mb5 n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mb5 n GLY 53 N 1.11 0.49 3.76 0.72 0.00 -0.17 -5.05 105.19 106.05 3mb5 n GLY 53 Ca 0.16 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3mb5 n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mb5 s HIS 54 N -2.00 3.76 0.03 1.61 3.76 -1.26 -4.77 115.29 116.42 3mb5 s HIS 54 Ca 0.00 1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 56.10 3mb5 s HIS 54 Cb 0.00 -2.72 -0.06 0.00 1.11 0.00 0.00 32.58 30.91 3mb5 s HIS 54 CO 0.00 0.37 0.67 -2.00 -0.85 0.00 0.00 174.74 172.93 3mb5 s GLU 55 N -0.39 4.40 -0.18 1.40 2.12 -1.26 -0.88 118.70 123.90 3mb5 s GLU 55 Ca 0.35 0.89 0.01 0.00 0.36 0.00 0.00 54.97 56.59 3mb5 s GLU 55 Cb -0.20 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3mb5 s GLU 55 CO 0.22 0.36 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.05 3mb5 s PHE 56 N -0.25 2.75 0.12 5.30 0.08 0.12 -3.54 117.98 122.57 3mb5 s PHE 56 Ca 0.34 -1.66 -0.17 0.00 0.12 0.00 0.00 56.93 55.56 3mb5 s PHE 56 Cb -0.19 -1.88 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 3mb5 s PHE 56 CO 0.20 -0.80 0.58 0.15 -0.10 0.00 0.00 175.22 175.25 3mb5 s LYS 57 N 1.30 4.13 -0.25 0.44 1.02 -0.18 -1.22 119.74 124.96 3mb5 s LYS 57 Ca 0.04 0.66 -0.09 0.00 0.02 0.00 0.00 55.97 56.60 3mb5 s LYS 57 Cb -0.14 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3mb5 s LYS 57 CO -0.12 0.55 0.11 0.42 -0.92 0.00 0.00 175.35 175.39 3mb5 s ILE 58 N -1.29 4.73 0.14 2.17 1.01 0.24 -0.50 121.20 127.71 3mb5 s ILE 58 Ca 0.34 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 61.04 3mb5 s ILE 58 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3mb5 s ILE 58 CO 0.19 0.32 -0.19 -0.76 0.00 0.00 0.00 174.94 174.50 3mb5 s LEU 59 N 1.55 2.40 0.06 2.97 1.43 0.70 -0.34 118.68 127.45 3mb5 s LEU 59 Ca 0.06 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 3mb5 s LEU 59 Cb -0.15 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 3mb5 s LEU 59 CO 0.06 -0.02 1.13 -0.60 0.23 0.00 0.00 176.35 177.15 3mb5 s ARG 60 N -2.55 4.49 0.27 1.70 3.52 -1.26 -0.66 118.95 124.46 3mb5 s ARG 60 Ca 0.13 1.67 -0.30 0.00 -0.13 0.00 0.00 55.73 57.10 3mb5 s ARG 60 Cb -0.07 -3.36 -0.11 0.00 -1.56 0.00 0.00 34.95 29.85 3mb5 s ARG 60 CO 0.06 -0.15 1.51 -2.14 -0.81 0.00 0.00 175.30 173.77 3mb5 s PRO 61 N 0.82 4.20 0.42 5.12 0.02 -1.26 -4.80 135.00 139.52 3mb5 s PRO 61 Ca 0.55 2.43 0.07 0.00 0.02 0.00 0.00 61.00 64.07 3mb5 s PRO 61 Cb -0.27 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.12 3mb5 s PRO 61 CO 0.30 -0.52 0.10 1.03 -0.33 0.00 0.00 177.00 177.58 3mb5 s ARG 62 N -0.41 2.11 0.40 5.54 1.81 -1.26 -5.01 118.95 122.13 3mb5 s ARG 62 Ca 0.61 -1.98 0.10 0.00 -1.72 0.00 0.00 55.73 52.74 3mb5 s ARG 62 Cb -0.45 -1.82 0.89 0.00 -0.45 0.00 0.00 34.95 33.13 3mb5 s ARG 62 CO 0.45 -0.11 1.96 0.97 -0.68 0.00 0.00 175.30 177.89 3mb5 h ILE 63 N 1.56 0.94 -0.10 1.52 6.09 -2.00 -0.01 117.51 125.50 3mb5 h ILE 63 Ca -0.43 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 3mb5 h ILE 63 Cb 1.25 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3mb5 h ILE 63 CO 0.75 0.10 -0.02 -0.37 -3.07 0.00 0.00 178.15 175.54 3mb5 h VAL 64 N 0.58 1.08 -0.07 2.19 -1.51 -1.99 -0.34 116.25 116.19 3mb5 h VAL 64 Ca 0.31 -0.33 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 3mb5 h VAL 64 Cb 0.45 1.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3mb5 h VAL 64 CO -0.10 0.11 -0.52 0.44 -1.23 0.00 0.00 177.57 176.26 3mb5 h ASP 65 N 0.15 0.58 -0.48 4.19 3.32 -1.40 -1.34 116.42 121.44 3mb5 h ASP 65 Ca 0.04 -0.68 -0.04 0.00 0.02 0.00 0.00 57.03 56.37 3mb5 h ASP 65 Cb 0.14 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3mb5 h ASP 65 CO 0.00 1.17 0.16 1.88 -1.72 0.00 0.00 179.24 180.73 3mb5 h TYR 66 N 0.04 0.76 -0.71 4.55 -1.99 -1.09 -1.25 116.97 117.28 3mb5 h TYR 66 Ca -0.05 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.58 3mb5 h TYR 66 Cb 1.19 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.66 3mb5 h TYR 66 CO 0.12 0.67 0.30 -0.07 -0.00 0.00 0.00 178.16 179.18 3mb5 h LEU 67 N 0.64 0.97 -0.85 3.88 3.38 -1.07 -1.46 115.31 120.79 3mb5 h LEU 67 Ca 0.15 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3mb5 h LEU 67 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3mb5 h LEU 67 CO -0.01 0.86 -0.55 0.44 0.09 0.00 0.00 178.44 179.27 3mb5 h ASP 68 N 1.01 0.00 -0.04 -0.43 3.32 -1.02 -3.31 116.42 115.96 3mb5 h ASP 68 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mb5 h ASP 68 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3mb5 h ASP 68 CO -0.02 0.55 0.00 0.29 -1.72 0.00 0.00 179.24 178.34 3mb5 n LYS 69 N -3.80 0.93 -1.15 3.56 4.76 -0.49 -5.02 118.16 116.95 3mb5 n LYS 69 Ca -0.01 -1.33 -0.32 0.00 -2.87 0.00 0.00 58.31 53.78 3mb5 n LYS 69 Cb 0.57 -1.25 0.12 0.00 -1.84 0.00 0.00 35.03 32.63 3mb5 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mb5 s MET 70 N -1.08 1.78 0.05 1.97 0.23 -0.56 -4.97 119.30 116.71 3mb5 s MET 70 Ca 0.16 1.55 -0.30 0.00 -1.03 0.00 0.00 55.69 56.07 3mb5 s MET 70 Cb 0.11 -1.81 -0.05 0.00 -1.53 0.00 0.00 34.83 31.55 3mb5 s MET 70 CO 0.16 -2.06 1.15 0.21 -2.03 0.00 0.00 175.02 172.45 3mb5 s LYS 71 N -4.37 4.46 -0.15 3.16 2.20 -1.26 -5.03 119.74 118.75 3mb5 s LYS 71 Ca 0.69 1.70 -0.04 0.00 -0.36 0.00 0.00 55.97 57.96 3mb5 s LYS 71 Cb -0.24 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3mb5 s LYS 71 CO 0.52 -0.20 -0.03 1.03 -0.36 0.00 0.00 175.35 176.30 3mb5 s ARG 72 N 1.00 3.65 0.00 4.03 0.52 -1.26 -4.94 118.95 121.95 3mb5 s ARG 72 Ca 0.57 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 3mb5 s ARG 72 Cb -0.28 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.27 3mb5 s ARG 72 CO 0.29 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.29 3mb5 n GLY 73 N 3.45 0.90 3.74 -3.53 0.00 -1.26 -5.06 105.19 103.43 3mb5 n GLY 73 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3mb5 n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mb5 s PRO 74 N 1.12 2.84 -0.27 1.61 0.04 -1.26 -4.83 135.00 134.25 3mb5 s PRO 74 Ca 0.00 2.09 -0.41 0.00 0.04 0.00 0.00 61.00 62.72 3mb5 s PRO 74 Cb 0.00 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 3mb5 s PRO 74 CO 0.00 -1.39 1.65 0.94 0.04 0.00 0.00 177.00 178.25 3mb5 n GLN 75 N -1.52 0.90 -2.26 4.56 -0.06 -1.26 -4.28 117.38 113.46 3mb5 n GLN 75 Ca 0.13 0.33 -0.32 0.00 -2.00 0.00 0.00 57.00 55.14 3mb5 n GLN 75 Cb 0.47 -1.97 -0.02 0.00 -4.06 0.00 0.00 30.24 24.67 3mb5 n GLN 75 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3mb5 s ILE 76 N 2.99 4.30 -0.03 1.69 -4.36 -1.26 -4.85 121.20 119.68 3mb5 s ILE 76 Ca 0.98 1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 62.15 3mb5 s ILE 76 Cb -1.15 -3.61 -0.03 0.00 1.25 0.00 0.00 42.46 38.92 3mb5 s ILE 76 CO 0.66 -0.65 1.04 -0.69 0.24 0.00 0.00 174.94 175.55 3mb5 s VAL 77 N -2.59 4.66 0.44 8.37 1.01 -1.26 -5.02 120.40 126.00 3mb5 s VAL 77 Ca 0.60 1.92 -0.25 0.00 0.00 0.00 0.00 61.98 64.25 3mb5 s VAL 77 Cb -0.12 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 3mb5 s VAL 77 CO 0.34 0.09 1.28 -2.28 0.00 0.00 0.00 175.10 174.54 3mb5 s HIS 78 N 1.42 2.74 0.46 5.22 2.46 -1.26 -4.62 115.29 121.71 3mb5 s HIS 78 Ca 0.52 1.43 0.22 0.00 0.47 0.00 0.00 55.06 57.70 3mb5 s HIS 78 Cb -0.22 -3.63 1.22 0.00 -0.13 0.00 0.00 32.58 29.82 3mb5 s HIS 78 CO 0.25 -2.11 1.88 -1.35 -2.47 0.00 0.00 174.74 170.94 3mb5 h PRO 79 N 2.33 0.25 -0.25 2.88 0.11 -1.99 -0.32 132.00 135.01 3mb5 h PRO 79 Ca -0.50 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3mb5 h PRO 79 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3mb5 h PRO 79 CO 0.61 0.17 -0.07 1.57 -0.21 0.00 0.00 178.00 180.07 3mb5 h LYS 80 N 0.26 0.39 0.20 1.05 2.10 -1.99 0.11 116.57 118.69 3mb5 h LYS 80 Ca 0.43 -0.09 -0.30 0.00 -2.00 0.00 0.00 60.65 58.70 3mb5 h LYS 80 Cb 1.27 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.57 3mb5 h LYS 80 CO -0.11 0.47 -1.36 -0.44 -2.00 0.00 0.00 179.45 176.00 3mb5 h ASP 81 N 0.37 0.67 -0.86 7.07 3.32 -1.46 -2.84 116.42 122.69 3mb5 h ASP 81 Ca 0.08 -0.92 0.05 0.00 0.02 0.00 0.00 57.03 56.26 3mb5 h ASP 81 Cb 0.35 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3mb5 h ASP 81 CO 0.02 1.64 0.56 0.00 -1.72 0.00 0.00 179.24 179.74 3mb5 h ALA 82 N 0.10 1.52 -0.52 3.45 0.00 -1.19 -0.77 119.26 121.86 3mb5 h ALA 82 Ca -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3mb5 h ALA 82 Cb 1.99 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3mb5 h ALA 82 CO 0.20 0.36 0.29 0.00 0.00 0.00 0.00 179.25 180.11 3mb5 h ALA 83 N 1.52 0.66 -0.01 0.00 0.00 -0.74 -1.14 119.26 119.56 3mb5 h ALA 83 Ca 0.36 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 3mb5 h ALA 83 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mb5 h ALA 83 CO -0.12 0.17 -0.72 -0.07 0.00 0.00 0.00 179.25 178.50 3mb5 h LEU 84 N 0.69 0.05 -0.19 0.00 -0.00 -1.18 -0.62 115.31 114.06 3mb5 h LEU 84 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 3mb5 h LEU 84 Cb 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 3mb5 h LEU 84 CO -0.03 0.76 0.12 0.40 -0.00 0.00 0.00 178.44 179.69 3mb5 h ILE 85 N 0.03 1.04 -0.42 1.22 2.04 -0.82 -0.20 117.51 120.40 3mb5 h ILE 85 Ca -0.01 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 3mb5 h ILE 85 Cb 1.28 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3mb5 h ILE 85 CO 0.10 0.05 -0.06 0.58 0.00 0.00 0.00 178.15 178.81 3mb5 h VAL 86 N 0.25 1.27 0.02 1.67 2.07 -1.10 -2.22 116.25 118.20 3mb5 h VAL 86 Ca 0.07 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3mb5 h VAL 86 Cb -0.02 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3mb5 h VAL 86 CO -0.03 0.38 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 3mb5 h ALA 87 N 0.87 -0.02 0.00 1.67 0.00 -0.97 0.03 119.26 120.84 3mb5 h ALA 87 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3mb5 h ALA 87 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3mb5 h ALA 87 CO 0.03 -0.34 -0.51 1.88 0.00 0.00 0.00 179.25 180.32 3mb5 h TYR 88 N -0.37 0.00 -0.01 0.00 -1.99 -1.07 -2.54 116.97 110.99 3mb5 h TYR 88 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3mb5 h TYR 88 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 3mb5 h TYR 88 CO 0.04 0.21 -0.14 0.00 -0.00 0.00 0.00 178.16 178.28 3mb5 n ALA 89 N -2.19 2.84 -3.44 3.88 0.00 -0.84 -4.97 120.51 115.79 3mb5 n ALA 89 Ca 0.01 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.79 3mb5 n ALA 89 Cb 0.63 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 19.04 3mb5 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mb5 n GLY 90 N 1.27 -0.34 3.73 0.00 0.00 -0.67 -4.88 105.19 104.31 3mb5 n GLY 90 Ca 0.15 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3mb5 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mb5 s ILE 91 N -3.28 3.18 0.05 -0.61 1.01 -0.09 -4.97 121.20 116.48 3mb5 s ILE 91 Ca 0.48 0.93 0.00 0.00 0.00 0.00 0.00 60.65 62.06 3mb5 s ILE 91 Cb -0.21 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3mb5 s ILE 91 CO 0.63 0.12 -0.04 -0.44 0.00 0.00 0.00 174.94 175.20 3mb5 s SER 92 N 0.61 0.59 0.14 3.58 0.01 -1.26 -4.91 113.70 112.46 3mb5 s SER 92 Ca 0.60 -0.77 -0.34 0.00 1.31 0.00 0.00 55.95 56.75 3mb5 s SER 92 Cb -0.37 0.12 -0.16 0.00 0.21 0.00 0.00 66.02 65.82 3mb5 s SER 92 CO 0.36 -0.41 1.25 -2.65 0.41 0.00 0.00 173.24 172.20 3mb5 n PRO 93 N 0.78 1.20 -0.00 12.44 -0.02 -1.20 -1.77 135.00 146.42 3mb5 n PRO 93 Ca -0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3mb5 n PRO 93 Cb 0.58 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3mb5 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mb5 n GLY 94 N 2.27 1.03 3.74 -1.23 0.00 0.45 -4.98 105.19 106.46 3mb5 n GLY 94 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3mb5 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mb5 s ASP 95 N -2.69 4.56 -0.27 1.61 1.01 -0.73 -4.49 116.67 115.68 3mb5 s ASP 95 Ca 0.00 2.30 -0.06 0.00 0.71 0.00 0.00 52.55 55.50 3mb5 s ASP 95 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3mb5 s ASP 95 CO 0.00 -2.01 0.04 0.12 0.21 0.00 0.00 175.17 173.53 3mb5 s PHE 96 N -1.97 3.10 -0.05 4.23 5.36 -1.26 -1.46 117.98 125.92 3mb5 s PHE 96 Ca 0.74 -0.96 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 3mb5 s PHE 96 Cb -0.28 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 3mb5 s PHE 96 CO 0.42 -0.56 -0.21 0.42 -1.46 0.00 0.00 175.22 173.84 3mb5 s ILE 97 N 1.49 2.48 -0.21 3.12 1.01 0.22 -0.43 121.20 128.88 3mb5 s ILE 97 Ca 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 3mb5 s ILE 97 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3mb5 s ILE 97 CO 0.01 0.58 0.07 -0.69 0.00 0.00 0.00 174.94 174.90 3mb5 s VAL 98 N -0.41 4.61 0.09 2.92 1.01 -0.53 -0.95 120.40 127.14 3mb5 s VAL 98 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.04 3mb5 s VAL 98 Cb -0.12 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3mb5 s VAL 98 CO 0.02 0.41 -0.27 -0.70 0.00 0.00 0.00 175.10 174.56 3mb5 s GLU 99 N 0.84 1.57 -0.15 2.72 2.12 0.16 -0.54 118.70 125.41 3mb5 s GLU 99 Ca 0.04 -1.24 -0.27 0.00 0.36 0.00 0.00 54.97 53.86 3mb5 s GLU 99 Cb -0.14 -1.92 0.07 0.00 0.26 0.00 0.00 34.13 32.40 3mb5 s GLU 99 CO 0.02 0.47 0.67 0.00 -0.54 0.00 0.00 175.26 175.89 3mb5 s ALA 100 N -0.95 -1.70 0.36 6.30 0.00 -0.76 -0.32 121.76 124.70 3mb5 s ALA 100 Ca 0.13 1.60 -0.07 0.00 0.00 0.00 0.00 51.96 53.62 3mb5 s ALA 100 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3mb5 s ALA 100 CO 0.04 -0.34 0.67 0.20 0.00 0.00 0.00 175.76 176.33 3mb5 s GLY 101 N -0.40 1.83 0.37 0.00 0.00 -0.96 -0.24 107.32 107.93 3mb5 s GLY 101 Ca -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.30 3mb5 s GLY 101 CO 0.05 -0.27 2.01 -0.24 0.00 0.00 0.00 173.10 174.65 3mb5 h VAL 102 N 1.10 1.10 0.00 1.40 3.04 -1.58 -3.45 116.25 117.86 3mb5 h VAL 102 Ca -0.47 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 3mb5 h VAL 102 Cb 1.19 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3mb5 h VAL 102 CO 0.64 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.95 3mb5 n GLY 103 N -1.45 3.88 0.01 3.17 0.00 -1.26 -0.69 105.19 108.85 3mb5 n GLY 103 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3mb5 n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mb5 n SER 104 N 7.23 0.44 0.00 1.61 7.64 -1.26 -4.23 113.62 125.05 3mb5 n SER 104 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3mb5 n SER 104 Cb 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3mb5 n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mb5 n GLY 105 N 1.48 0.65 0.10 0.23 0.00 0.14 -4.18 105.19 103.60 3mb5 n GLY 105 Ca 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3mb5 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mb5 h ALA 106 N 0.00 -0.14 -0.86 4.61 0.00 -1.93 0.49 119.26 121.43 3mb5 h ALA 106 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3mb5 h ALA 106 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3mb5 h ALA 106 CO 0.00 -0.38 0.46 1.25 0.00 0.00 0.00 179.25 180.57 3mb5 h LEU 107 N -0.52 1.09 -0.60 0.00 5.85 -1.88 -2.22 115.31 117.03 3mb5 h LEU 107 Ca -0.01 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3mb5 h LEU 107 Cb 0.43 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3mb5 h LEU 107 CO 0.02 0.88 0.31 0.74 -0.34 0.00 0.00 178.44 180.05 3mb5 h THR 108 N 1.21 0.93 -0.41 1.05 2.02 -1.83 -0.30 112.91 115.60 3mb5 h THR 108 Ca 0.30 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3mb5 h THR 108 Cb 0.05 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3mb5 h THR 108 CO -0.05 0.10 0.13 -0.07 0.37 0.00 0.00 175.52 176.01 3mb5 h LEU 109 N 0.57 0.59 -0.36 2.58 3.38 -0.51 0.16 115.31 121.72 3mb5 h LEU 109 Ca 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mb5 h LEU 109 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3mb5 h LEU 109 CO -0.19 0.64 0.24 0.15 0.09 0.00 0.00 178.44 179.36 3mb5 h PHE 110 N 0.51 0.45 -0.37 1.13 3.57 -0.92 -1.55 116.94 119.76 3mb5 h PHE 110 Ca 0.13 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3mb5 h PHE 110 Cb 0.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3mb5 h PHE 110 CO 0.01 0.29 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.98 3mb5 h LEU 111 N 0.48 0.94 -0.86 0.59 3.38 -0.90 -2.62 115.31 116.32 3mb5 h LEU 111 Ca 0.13 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3mb5 h LEU 111 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3mb5 h LEU 111 CO -0.03 1.20 0.53 0.00 0.09 0.00 0.00 178.44 180.23 3mb5 h ALA 112 N 0.77 1.10 -0.47 1.53 0.00 -0.56 -0.45 119.26 121.17 3mb5 h ALA 112 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mb5 h ALA 112 Cb 0.92 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3mb5 h ALA 112 CO 0.08 0.55 0.29 -0.97 0.00 0.00 0.00 179.25 179.21 3mb5 h ASN 113 N 1.18 0.55 -0.51 0.00 -0.73 -1.16 -2.24 115.58 112.68 3mb5 h ASN 113 Ca 0.31 -0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.37 3mb5 h ASN 113 Cb -0.07 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 3mb5 h ASN 113 CO -0.06 0.43 0.03 0.40 -0.37 0.00 0.00 177.43 177.86 3mb5 h ILE 114 N 0.63 1.26 0.00 2.57 1.08 -1.00 -3.05 117.51 118.99 3mb5 h ILE 114 Ca 0.17 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 3mb5 h ILE 114 Cb -0.03 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3mb5 h ILE 114 CO -0.03 0.37 0.00 -0.37 -0.69 0.00 0.00 178.15 177.42 3mb5 h VAL 115 N 0.76 0.00 -0.56 1.67 -1.51 -0.97 -3.17 116.25 112.48 3mb5 h VAL 115 Ca 0.15 -0.66 0.06 0.00 -1.23 0.00 0.00 66.70 65.02 3mb5 h VAL 115 Cb 0.48 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 3mb5 h VAL 115 CO 0.02 0.00 -0.13 0.61 -1.23 0.00 0.00 177.57 176.84 3mb5 n GLY 116 N 0.48 -1.78 0.27 5.19 0.00 -0.86 -0.42 105.19 108.08 3mb5 n GLY 116 Ca 0.02 -1.45 0.18 0.00 0.00 0.00 0.00 46.02 44.77 3mb5 n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mb5 h PRO 117 N -0.23 0.00 -0.02 1.61 0.13 -1.91 -1.50 132.00 130.09 3mb5 h PRO 117 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3mb5 h PRO 117 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 3mb5 h PRO 117 CO 0.01 0.00 -0.34 0.39 -0.23 0.00 0.00 178.00 177.83 3mb5 n GLU 118 N -2.90 1.36 -2.19 0.86 4.71 -1.26 -4.79 120.64 116.42 3mb5 n GLU 118 Ca -0.01 -1.07 -0.27 0.00 -0.01 0.00 0.00 57.16 55.80 3mb5 n GLU 118 Cb 0.17 -1.48 0.14 0.00 -1.01 0.00 0.00 31.44 29.27 3mb5 n GLU 118 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3mb5 s GLY 119 N -2.38 1.76 -0.09 0.62 0.00 -0.56 -4.69 107.32 101.97 3mb5 s GLY 119 Ca 0.22 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 3mb5 s GLY 119 CO 0.51 -0.69 0.24 0.50 0.00 0.00 0.00 173.10 173.65 3mb5 s ARG 120 N -5.54 0.26 -0.11 2.90 1.81 -0.54 -4.78 118.95 112.94 3mb5 s ARG 120 Ca 0.69 0.38 0.02 0.00 -1.72 0.00 0.00 55.73 55.10 3mb5 s ARG 120 Cb -0.05 0.07 0.01 0.00 -0.45 0.00 0.00 34.95 34.53 3mb5 s ARG 120 CO 0.49 -0.07 -0.17 0.08 -0.68 0.00 0.00 175.30 174.95 3mb5 s VAL 121 N 0.42 1.65 -0.29 3.52 1.01 -0.26 -0.61 120.40 125.84 3mb5 s VAL 121 Ca -0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3mb5 s VAL 121 Cb -0.04 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3mb5 s VAL 121 CO -0.02 0.47 0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3mb5 s VAL 122 N 0.88 3.73 -0.21 2.92 1.01 -0.12 -1.13 120.40 127.48 3mb5 s VAL 122 Ca -0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3mb5 s VAL 122 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3mb5 s VAL 122 CO -0.01 0.08 -0.01 -0.44 0.00 0.00 0.00 175.10 174.72 3mb5 s SER 123 N 1.46 4.69 0.24 3.32 0.01 0.32 -0.67 113.70 123.07 3mb5 s SER 123 Ca 0.02 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 3mb5 s SER 123 Cb -0.17 -1.80 -0.08 0.00 0.21 0.00 0.00 66.02 64.17 3mb5 s SER 123 CO 0.01 0.04 0.68 -0.31 0.41 0.00 0.00 173.24 174.07 3mb5 s TYR 124 N 1.16 3.53 -0.25 2.43 4.12 0.57 -0.87 117.35 128.03 3mb5 s TYR 124 Ca 0.03 1.23 -0.18 0.00 0.02 0.00 0.00 57.07 58.17 3mb5 s TYR 124 Cb -0.14 -2.52 0.07 0.00 -1.52 0.00 0.00 41.96 37.85 3mb5 s TYR 124 CO 0.01 0.26 0.64 -2.00 0.02 0.00 0.00 175.55 174.49 3mb5 s GLU 125 N -2.39 0.70 -0.06 -0.62 2.56 -0.32 -1.60 118.70 116.96 3mb5 s GLU 125 Ca 0.46 1.05 0.16 0.00 0.00 0.00 0.00 54.97 56.65 3mb5 s GLU 125 Cb -0.14 0.21 -0.22 0.00 2.00 0.00 0.00 34.13 35.99 3mb5 s GLU 125 CO 0.19 -0.13 0.51 0.44 -0.56 0.00 0.00 175.26 175.71 3mb5 n ILE 126 N 3.69 1.27 -2.88 -3.70 -5.35 -1.26 -2.51 119.36 108.62 3mb5 n ILE 126 Ca -0.18 -0.76 -0.43 0.00 -0.27 0.00 0.00 62.75 61.11 3mb5 n ILE 126 Cb 0.57 -0.67 -0.05 0.00 -1.74 0.00 0.00 39.64 37.75 3mb5 n ILE 126 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mb5 s ARG 127 N -2.74 3.56 0.38 6.28 1.81 -1.26 -4.93 118.95 122.04 3mb5 s ARG 127 Ca -0.06 0.15 0.16 0.00 -1.72 0.00 0.00 55.73 54.25 3mb5 s ARG 127 Cb 0.08 -3.90 0.75 0.00 -0.45 0.00 0.00 34.95 31.43 3mb5 s ARG 127 CO 0.83 -1.11 1.80 0.93 -0.68 0.00 0.00 175.30 177.07 3mb5 h GLU 128 N 8.91 0.00 -0.14 3.54 5.08 -1.99 -0.55 114.58 129.42 3mb5 h GLU 128 Ca -0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3mb5 h GLU 128 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3mb5 h GLU 128 CO 0.99 0.38 0.02 0.38 -1.00 0.00 0.00 179.01 179.78 3mb5 h ASP 129 N 0.00 0.23 -0.63 1.42 -0.00 -2.00 -1.62 116.42 113.82 3mb5 h ASP 129 Ca -0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 56.74 3mb5 h ASP 129 Cb 0.75 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.99 3mb5 h ASP 129 CO 0.05 0.43 0.28 -0.26 -0.00 0.00 0.00 179.24 179.74 3mb5 h PHE 130 N 0.02 0.93 -0.86 4.15 0.05 -1.81 -2.47 116.94 116.95 3mb5 h PHE 130 Ca 0.04 -0.06 0.04 0.00 3.82 0.00 0.00 57.97 61.82 3mb5 h PHE 130 Cb 0.30 -0.28 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 3mb5 h PHE 130 CO 0.02 0.72 0.56 0.00 -0.18 0.00 0.00 178.31 179.43 3mb5 h ALA 131 N 1.12 1.48 -0.55 2.45 0.00 -1.01 -0.22 119.26 122.53 3mb5 h ALA 131 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3mb5 h ALA 131 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3mb5 h ALA 131 CO -0.02 0.42 0.15 0.87 0.00 0.00 0.00 179.25 180.66 3mb5 h LYS 132 N 1.05 0.88 -0.21 0.00 1.57 -0.99 -0.55 116.57 118.32 3mb5 h LYS 132 Ca 0.35 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3mb5 h LYS 132 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3mb5 h LYS 132 CO -0.11 0.82 0.07 1.25 -0.57 0.00 0.00 179.45 180.91 3mb5 h LEU 133 N 0.78 0.29 -0.79 2.94 6.46 -0.98 -1.97 115.31 122.04 3mb5 h LEU 133 Ca 0.17 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3mb5 h LEU 133 Cb 0.33 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 3mb5 h LEU 133 CO -0.00 0.39 0.51 0.00 -0.62 0.00 0.00 178.44 178.72 3mb5 h ALA 134 N 0.91 1.01 -0.39 1.25 0.00 -0.97 -1.77 119.26 119.29 3mb5 h ALA 134 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3mb5 h ALA 134 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mb5 h ALA 134 CO -0.00 0.44 -0.09 2.35 0.00 0.00 0.00 179.25 181.94 3mb5 h TRP 135 N 1.08 0.73 -0.61 0.00 2.91 -0.92 0.27 115.95 119.41 3mb5 h TRP 135 Ca 0.29 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3mb5 h TRP 135 Cb -0.10 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.33 3mb5 h TRP 135 CO -0.01 0.74 0.35 0.93 -1.03 0.00 0.00 178.44 179.43 3mb5 h GLU 136 N 0.62 0.83 -0.58 2.65 4.39 -0.94 -0.26 114.58 121.29 3mb5 h GLU 136 Ca 0.11 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3mb5 h GLU 136 Cb 0.52 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 3mb5 h GLU 136 CO 0.03 0.61 0.32 -0.91 -1.16 0.00 0.00 179.01 177.90 3mb5 h ASN 137 N 0.82 0.72 -0.31 1.42 2.35 -0.53 -1.22 115.58 118.83 3mb5 h ASN 137 Ca 0.22 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3mb5 h ASN 137 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3mb5 h ASN 137 CO -0.04 0.61 0.11 0.40 -1.65 0.00 0.00 177.43 176.85 3mb5 h ILE 138 N 0.78 1.20 -0.75 2.81 2.04 -0.66 -1.62 117.51 121.31 3mb5 h ILE 138 Ca 0.20 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 3mb5 h ILE 138 Cb 0.04 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3mb5 h ILE 138 CO -0.03 0.21 0.29 0.11 0.00 0.00 0.00 178.15 178.73 3mb5 h LYS 139 N 0.35 1.12 -0.89 2.37 1.57 -1.00 -0.75 116.57 119.35 3mb5 h LYS 139 Ca 0.10 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3mb5 h LYS 139 Cb 0.23 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3mb5 h LYS 139 CO -0.00 0.93 0.57 2.35 -0.57 0.00 0.00 179.45 182.72 3mb5 h TRP 140 N 1.08 1.07 -0.00 -1.35 7.01 -0.97 -1.68 115.95 121.10 3mb5 h TRP 140 Ca 0.25 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3mb5 h TRP 140 Cb 0.23 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3mb5 h TRP 140 CO 0.02 0.60 -0.10 0.00 -2.79 0.00 0.00 178.44 176.16 3mb5 n ALA 141 N -2.35 2.71 -1.23 2.65 0.00 -0.63 -4.93 120.51 116.73 3mb5 n ALA 141 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3mb5 n ALA 141 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3mb5 n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mb5 n GLY 142 N 1.33 0.49 1.11 0.00 0.00 -0.63 -4.95 105.19 102.53 3mb5 n GLY 142 Ca 0.13 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.33 3mb5 n GLY 142 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mb5 n PHE 143 N -3.19 0.84 0.50 1.61 0.99 -0.35 -4.25 117.46 113.62 3mb5 n PHE 143 Ca 0.00 -0.52 0.06 0.00 -0.00 0.00 0.00 57.45 56.99 3mb5 n PHE 143 Cb 0.17 -0.04 0.28 0.00 -1.00 0.00 0.00 39.48 38.89 3mb5 n PHE 143 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3mb5 n ASP 144 N 1.16 0.00 0.24 4.37 5.75 -1.24 -1.98 116.55 124.85 3mb5 n ASP 144 Ca 0.20 0.28 0.11 0.00 -0.01 0.00 0.00 54.79 55.37 3mb5 n ASP 144 Cb 0.58 -0.38 0.57 0.00 -1.03 0.00 0.00 41.12 40.86 3mb5 n ASP 144 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3mb5 h ASP 145 N 0.00 0.00 0.00 -1.12 2.03 -1.94 -3.38 116.42 112.02 3mb5 h ASP 145 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mb5 h ASP 145 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 3mb5 h ASP 145 CO 0.00 0.18 0.00 -2.11 -1.03 0.00 0.00 179.24 176.28 3mb5 n ARG 146 N -3.45 0.61 -4.88 4.15 1.85 -0.88 -5.03 116.66 109.04 3mb5 n ARG 146 Ca -0.01 -0.06 -0.33 0.00 -1.00 0.00 0.00 57.85 56.46 3mb5 n ARG 146 Cb 0.36 -0.37 -0.14 0.00 -1.05 0.00 0.00 32.46 31.26 3mb5 n ARG 146 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3mb5 s VAL 147 N -0.10 2.94 0.01 8.89 1.01 -0.84 -1.10 120.40 131.21 3mb5 s VAL 147 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3mb5 s VAL 147 Cb 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3mb5 s VAL 147 CO 0.00 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 3mb5 s THR 148 N -0.18 1.84 -0.15 3.92 2.01 -0.29 -4.74 115.64 118.05 3mb5 s THR 148 Ca -0.01 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 60.85 3mb5 s THR 148 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3mb5 s THR 148 CO 0.03 0.41 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.74 3mb5 s ILE 149 N -0.64 4.21 -0.20 1.82 1.01 -1.26 -0.52 121.20 125.61 3mb5 s ILE 149 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 3mb5 s ILE 149 Cb -0.09 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3mb5 s ILE 149 CO 0.00 0.50 0.00 -0.54 0.00 0.00 0.00 174.94 174.90 3mb5 s LYS 150 N 0.17 3.62 -1.26 2.79 1.02 -0.05 -4.94 119.74 121.10 3mb5 s LYS 150 Ca 0.00 -0.52 -0.16 0.00 0.02 0.00 0.00 55.97 55.32 3mb5 s LYS 150 Cb -0.13 -3.08 0.12 0.00 -0.52 0.00 0.00 37.83 34.22 3mb5 s LYS 150 CO 0.02 0.02 1.59 1.28 -0.92 0.00 0.00 175.35 177.34 3mb5 n LEU 151 N 4.23 5.11 -3.81 3.17 4.77 -1.26 -1.18 117.00 128.03 3mb5 n LEU 151 Ca -0.17 -4.20 -0.12 0.00 -0.03 0.00 0.00 56.01 51.49 3mb5 n LEU 151 Cb 0.52 -1.68 -0.10 0.00 -2.33 0.00 0.00 43.42 39.83 3mb5 n LEU 151 CO 0.32 0.46 -0.09 -0.54 -1.33 0.00 0.00 177.39 176.21 3mb5 s LYS 152 N 2.84 0.51 -0.48 3.23 -0.14 -1.04 -4.95 119.74 119.70 3mb5 s LYS 152 Ca 0.48 -0.17 -0.28 0.00 -1.36 0.00 0.00 55.97 54.64 3mb5 s LYS 152 Cb 0.01 0.22 0.03 0.00 -1.68 0.00 0.00 37.83 36.41 3mb5 s LYS 152 CO 0.04 -0.12 1.11 0.34 -0.76 0.00 0.00 175.35 175.96 3mb5 s ASP 153 N -1.04 6.60 0.50 2.83 3.68 -1.26 -3.52 116.67 124.46 3mb5 s ASP 153 Ca -0.11 0.39 0.33 0.00 2.13 0.00 0.00 52.55 55.29 3mb5 s ASP 153 Cb -0.06 -2.54 1.57 0.00 -1.45 0.00 0.00 42.92 40.45 3mb5 s ASP 153 CO 0.02 -1.25 2.00 -0.29 0.13 0.00 0.00 175.17 175.79 3mb5 h ILE 154 N 6.21 0.00 0.00 4.11 2.10 -1.95 -1.34 117.51 126.64 3mb5 h ILE 154 Ca -0.23 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3mb5 h ILE 154 Cb 1.06 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 3mb5 h ILE 154 CO 1.12 0.00 0.00 1.88 -1.08 0.00 0.00 178.15 180.07 3mb5 h TYR 155 N 0.00 0.00 0.00 2.19 0.99 -1.91 -2.01 116.97 116.23 3mb5 h TYR 155 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3mb5 h TYR 155 Cb 0.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.00 3mb5 h TYR 155 CO 0.00 0.00 -0.42 0.39 -0.00 0.00 0.00 178.16 178.13 3mb5 n GLU 156 N -2.97 0.01 0.00 4.88 -0.58 -0.51 -4.93 120.64 116.54 3mb5 n GLU 156 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3mb5 n GLU 156 Cb 0.18 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3mb5 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mb5 n GLY 157 N 1.50 4.17 3.37 0.62 0.00 -0.75 -5.08 105.19 109.01 3mb5 n GLY 157 Ca 0.06 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 3mb5 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mb5 s ILE 158 N -2.00 3.65 0.18 -0.61 1.01 -1.26 -4.61 121.20 117.55 3mb5 s ILE 158 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3mb5 s ILE 158 Cb 0.00 -2.67 -0.11 0.00 0.01 0.00 0.00 42.46 39.69 3mb5 s ILE 158 CO 0.00 0.41 1.44 -0.33 0.00 0.00 0.00 174.94 176.46 3mb5 h GLU 159 N 7.95 0.00 -7.17 2.79 5.08 -1.98 -3.47 114.58 117.79 3mb5 h GLU 159 Ca -0.39 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.48 3mb5 h GLU 159 Cb 1.17 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.47 3mb5 h GLU 159 CO 0.60 0.80 0.38 -1.21 -1.00 0.00 0.00 179.01 178.58 3mb5 s GLU 160 N -3.13 3.51 0.17 2.33 8.01 -1.26 -5.07 118.70 123.26 3mb5 s GLU 160 Ca 0.00 1.19 0.08 0.00 0.01 0.00 0.00 54.97 56.25 3mb5 s GLU 160 Cb 0.11 -2.06 -0.04 0.00 -4.31 0.00 0.00 34.13 27.83 3mb5 s GLU 160 CO 0.79 -0.65 -0.16 -1.21 0.01 0.00 0.00 175.26 174.04 3mb5 s GLU 161 N -3.91 1.25 -1.31 1.61 2.02 -1.26 -4.67 118.70 112.43 3mb5 s GLU 161 Ca 0.64 -1.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 3mb5 s GLU 161 Cb -0.15 -1.18 0.01 0.00 0.10 0.00 0.00 34.13 32.91 3mb5 s GLU 161 CO 0.33 0.22 0.79 0.09 0.02 0.00 0.00 175.26 176.71 3mb5 n ASN 162 N 0.10 -1.78 -4.79 -0.19 5.03 -0.67 -4.95 115.26 108.00 3mb5 n ASN 162 Ca -0.12 -0.77 -0.39 0.00 0.87 0.00 0.00 54.58 54.17 3mb5 n ASN 162 Cb 0.58 -4.26 -0.06 0.00 -1.02 0.00 0.00 39.78 35.02 3mb5 n ASN 162 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mb5 s VAL 163 N -3.57 4.55 0.08 2.41 1.01 -0.33 -4.65 120.40 119.90 3mb5 s VAL 163 Ca 0.08 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.37 3mb5 s VAL 163 Cb -0.04 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 3mb5 s VAL 163 CO 0.80 0.52 1.27 0.44 0.00 0.00 0.00 175.10 178.12 3mb5 h ASP 164 N 4.35 0.88 -4.44 3.32 5.19 -1.08 -0.17 116.42 124.47 3mb5 h ASP 164 Ca -0.48 -0.65 -0.14 0.00 -0.62 0.00 0.00 57.03 55.14 3mb5 h ASP 164 Cb 1.21 -0.26 -0.23 0.00 0.18 0.00 0.00 39.33 40.23 3mb5 h ASP 164 CO 0.65 1.40 -0.35 -1.00 -3.12 0.00 0.00 179.24 176.82 3mb5 s HIS 165 N -3.65 -0.22 -0.23 4.55 3.76 -1.13 -2.10 115.29 116.26 3mb5 s HIS 165 Ca -0.11 0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 55.25 3mb5 s HIS 165 Cb 0.08 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.87 3mb5 s HIS 165 CO 0.89 -0.27 -0.07 0.08 -0.85 0.00 0.00 174.74 174.52 3mb5 s VAL 166 N -0.63 2.87 -0.19 -0.90 1.01 -0.09 -1.46 120.40 121.01 3mb5 s VAL 166 Ca -0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3mb5 s VAL 166 Cb -0.04 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3mb5 s VAL 166 CO 0.02 0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 3mb5 s ILE 167 N 1.35 2.56 -0.06 2.22 -1.09 0.30 -0.78 121.20 125.71 3mb5 s ILE 167 Ca 0.02 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.73 3mb5 s ILE 167 Cb -0.16 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 3mb5 s ILE 167 CO -0.05 0.50 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.15 3mb5 s LEU 168 N 1.29 2.05 -0.37 2.97 1.43 0.53 -1.83 118.68 124.75 3mb5 s LEU 168 Ca 0.04 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3mb5 s LEU 168 Cb -0.14 -1.33 0.15 0.00 0.03 0.00 0.00 46.19 44.90 3mb5 s LEU 168 CO -0.08 0.23 0.25 -0.62 0.23 0.00 0.00 176.35 176.36 3mb5 s ASP 169 N -0.14 2.58 0.28 2.29 2.15 0.67 -0.62 116.67 123.88 3mb5 s ASP 169 Ca -0.04 -2.46 -0.14 0.00 0.43 0.00 0.00 52.55 50.35 3mb5 s ASP 169 Cb -0.13 -0.44 0.01 0.00 -0.30 0.00 0.00 42.92 42.05 3mb5 s ASP 169 CO 0.04 -0.27 0.57 -1.48 -0.17 0.00 0.00 175.17 173.86 3mb5 s LEU 170 N 0.75 0.22 0.28 -1.34 0.05 -1.26 -2.26 118.68 115.12 3mb5 s LEU 170 Ca 0.22 -0.94 0.08 0.00 0.05 0.00 0.00 54.13 53.54 3mb5 s LEU 170 Cb -0.16 2.08 0.41 0.00 -2.05 0.00 0.00 46.19 46.47 3mb5 s LEU 170 CO -0.05 -1.27 1.65 -0.65 -0.55 0.00 0.00 176.35 175.49 3mb5 h PRO 171 N 2.15 0.15 -2.10 1.48 0.11 -1.97 -3.37 132.00 128.45 3mb5 h PRO 171 Ca -0.25 -0.08 -0.58 0.00 0.11 0.00 0.00 66.00 65.19 3mb5 h PRO 171 Cb 1.25 0.01 -0.41 0.00 0.11 0.00 0.00 31.00 31.96 3mb5 h PRO 171 CO 0.33 0.63 -0.83 1.04 -0.21 0.00 0.00 178.00 178.96 3mb5 n GLN 172 N -3.94 1.71 0.31 1.05 6.02 -1.26 -4.93 117.38 116.34 3mb5 n GLN 172 Ca -0.02 -4.01 0.19 0.00 -0.01 0.00 0.00 57.00 53.15 3mb5 n GLN 172 Cb 0.54 -1.78 1.00 0.00 1.02 0.00 0.00 30.24 31.02 3mb5 n GLN 172 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3mb5 h PRO 173 N 4.07 0.00 -0.29 -1.09 0.13 -1.95 -0.71 132.00 132.16 3mb5 h PRO 173 Ca 0.14 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.35 3mb5 h PRO 173 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3mb5 h PRO 173 CO 0.67 0.02 0.23 1.05 -0.23 0.00 0.00 178.00 179.74 3mb5 h GLU 174 N 0.00 0.00 0.00 0.86 9.09 -1.91 0.03 114.58 122.66 3mb5 h GLU 174 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3mb5 h GLU 174 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3mb5 h GLU 174 CO 0.00 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.60 3mb5 n ARG 175 N -4.25 0.53 0.00 1.06 1.74 -0.27 -2.88 116.66 112.58 3mb5 n ARG 175 Ca 0.04 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.19 3mb5 n ARG 175 Cb 0.39 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 3mb5 n ARG 175 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3mb5 n VAL 176 N -1.11 0.00 -0.05 1.55 0.31 -0.01 -4.69 118.33 114.34 3mb5 n VAL 176 Ca 0.14 -0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 3mb5 n VAL 176 Cb 0.11 1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 34.03 3mb5 n VAL 176 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3mb5 h VAL 177 N 0.16 0.92 -0.59 2.52 2.07 -1.50 0.16 116.25 119.99 3mb5 h VAL 177 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3mb5 h VAL 177 Cb 0.17 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3mb5 h VAL 177 CO 0.00 0.03 0.27 -0.08 0.02 0.00 0.00 177.57 177.81 3mb5 h GLU 178 N 0.14 0.85 -0.60 1.57 4.81 -1.85 -0.44 114.58 119.06 3mb5 h GLU 178 Ca 0.09 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3mb5 h GLU 178 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3mb5 h GLU 178 CO -0.12 0.70 0.14 0.45 -0.73 0.00 0.00 179.01 179.45 3mb5 h HIS 179 N 0.80 1.01 -0.68 0.92 3.86 -1.74 -2.43 115.15 116.89 3mb5 h HIS 179 Ca 0.20 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3mb5 h HIS 179 Cb 0.14 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3mb5 h HIS 179 CO 0.00 0.86 0.22 0.00 0.86 0.00 0.00 177.93 179.87 3mb5 h ALA 180 N 1.03 1.10 -0.66 2.45 0.00 -0.40 -1.39 119.26 121.39 3mb5 h ALA 180 Ca 0.19 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3mb5 h ALA 180 Cb 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3mb5 h ALA 180 CO 0.00 0.62 0.33 0.00 0.00 0.00 0.00 179.25 180.21 3mb5 h ALA 181 N 1.23 0.89 -0.50 0.00 0.00 -0.78 0.08 119.26 120.17 3mb5 h ALA 181 Ca 0.22 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3mb5 h ALA 181 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mb5 h ALA 181 CO -0.01 -0.04 -0.15 -0.22 0.00 0.00 0.00 179.25 178.83 3mb5 h LYS 182 N 0.60 0.97 0.03 0.00 3.64 -1.09 -3.31 116.57 117.41 3mb5 h LYS 182 Ca 0.31 -0.38 -0.24 0.00 -1.27 0.00 0.00 60.65 59.08 3mb5 h LYS 182 Cb 0.28 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3mb5 h LYS 182 CO -0.23 1.05 -1.14 0.00 -2.27 0.00 0.00 179.45 176.86 3mb5 h ALA 183 N 0.96 0.32 -2.75 5.00 0.00 -0.60 -3.45 119.26 118.74 3mb5 h ALA 183 Ca 0.13 -0.96 -0.51 0.00 0.00 0.00 0.00 54.91 53.57 3mb5 h ALA 183 Cb 0.71 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3mb5 h ALA 183 CO 0.05 1.21 0.48 -0.51 0.00 0.00 0.00 179.25 180.48 3mb5 s LEU 184 N -6.78 4.53 0.67 0.00 1.43 -0.05 -1.18 118.68 117.31 3mb5 s LEU 184 Ca -0.01 2.21 -0.17 0.00 -1.03 0.00 0.00 54.13 55.13 3mb5 s LEU 184 Cb 0.09 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 3mb5 s LEU 184 CO 0.84 -0.18 1.04 0.29 0.23 0.00 0.00 176.35 178.57 3mb5 n LYS 185 N 1.64 0.74 -1.63 1.70 5.02 -0.08 -4.75 118.16 120.81 3mb5 n LYS 185 Ca 0.00 0.30 -0.51 0.00 -2.02 0.00 0.00 58.31 56.09 3mb5 n LYS 185 Cb 0.45 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 3mb5 n LYS 185 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3mb5 n PRO 186 N -1.67 1.47 -0.29 1.97 -0.02 -1.26 -1.05 135.00 134.13 3mb5 n PRO 186 Ca 0.14 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3mb5 n PRO 186 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3mb5 n PRO 186 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mb5 n GLY 187 N 2.99 1.36 3.81 -1.23 0.00 0.89 -5.00 105.19 108.01 3mb5 n GLY 187 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3mb5 n GLY 187 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mb5 s GLY 188 N -1.82 1.65 -0.08 -0.02 0.00 -0.22 -4.60 107.32 102.23 3mb5 s GLY 188 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 3mb5 s GLY 188 CO 0.00 0.37 -0.01 -1.36 0.00 0.00 0.00 173.10 172.09 3mb5 s PHE 189 N -3.06 3.11 -0.19 1.90 0.40 -0.89 -0.29 117.98 118.96 3mb5 s PHE 189 Ca 0.59 0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.93 3mb5 s PHE 189 Cb -0.15 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 3mb5 s PHE 189 CO 0.55 0.42 0.28 0.12 0.70 0.00 0.00 175.22 177.29 3mb5 s PHE 190 N -0.82 3.41 -0.04 0.36 5.36 0.10 -0.91 117.98 125.44 3mb5 s PHE 190 Ca 0.12 0.51 0.02 0.00 -0.96 0.00 0.00 56.93 56.62 3mb5 s PHE 190 Cb -0.11 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.23 3mb5 s PHE 190 CO 0.02 0.16 -0.07 0.08 -1.46 0.00 0.00 175.22 173.95 3mb5 s VAL 191 N 0.74 0.68 -0.04 3.12 1.01 0.04 -0.89 120.40 125.07 3mb5 s VAL 191 Ca 0.15 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3mb5 s VAL 191 Cb -0.13 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3mb5 s VAL 191 CO 0.04 0.24 -0.06 0.00 0.00 0.00 0.00 175.10 175.32 3mb5 s ALA 192 N 0.59 0.74 -0.17 5.51 0.00 -0.07 -0.35 121.76 128.01 3mb5 s ALA 192 Ca -0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 3mb5 s ALA 192 Cb -0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3mb5 s ALA 192 CO 0.01 0.05 0.20 -0.47 0.00 0.00 0.00 175.76 175.55 3mb5 s TYR 193 N 0.64 3.45 -0.15 0.00 6.14 0.21 -0.70 117.35 126.94 3mb5 s TYR 193 Ca -0.09 0.47 -0.04 0.00 0.64 0.00 0.00 57.07 58.04 3mb5 s TYR 193 Cb -0.12 -2.22 0.07 0.00 0.42 0.00 0.00 41.96 40.11 3mb5 s TYR 193 CO 0.01 0.30 0.24 0.95 0.64 0.00 0.00 175.55 177.69 3mb5 s THR 194 N 0.29 -0.38 0.38 4.34 -4.23 -0.04 -4.39 115.64 111.61 3mb5 s THR 194 Ca 0.12 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 3mb5 s THR 194 Cb -0.12 -0.50 0.31 0.00 1.34 0.00 0.00 72.50 73.53 3mb5 s THR 194 CO 0.01 0.03 1.94 -0.65 -0.54 0.00 0.00 174.62 175.40 3mb5 h PRO 195 N 8.30 0.62 -5.90 3.99 0.11 -1.84 -0.16 132.00 137.11 3mb5 h PRO 195 Ca -0.15 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.26 3mb5 h PRO 195 Cb 1.13 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.00 3mb5 h PRO 195 CO 0.18 0.41 -0.56 0.00 -0.21 0.00 0.00 178.00 177.82 3mb5 h SER 197 N 4.49 0.28 -0.94 0.00 4.64 -2.01 -2.04 113.55 117.97 3mb5 h SER 197 Ca -0.51 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 60.85 3mb5 h SER 197 Cb 1.19 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 3mb5 h SER 197 CO 0.60 0.28 0.61 0.78 -0.87 0.00 0.00 176.83 178.23 3mb5 h ASN 198 N 0.32 0.95 -0.29 4.97 4.21 -1.98 -1.08 115.58 122.68 3mb5 h ASN 198 Ca 0.08 0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.45 3mb5 h ASN 198 Cb 0.10 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 3mb5 h ASN 198 CO -0.01 0.61 -0.36 1.56 -1.29 0.00 0.00 177.43 177.94 3mb5 h GLN 199 N 1.08 0.83 -0.64 0.81 4.20 -1.76 -1.58 115.11 118.04 3mb5 h GLN 199 Ca 0.40 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3mb5 h GLN 199 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3mb5 h GLN 199 CO -0.15 1.05 0.41 0.28 -0.67 0.00 0.00 178.83 179.75 3mb5 h VAL 200 N 0.68 1.18 -0.16 -0.54 2.07 -1.10 -0.34 116.25 118.04 3mb5 h VAL 200 Ca 0.06 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3mb5 h VAL 200 Cb 0.92 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3mb5 h VAL 200 CO 0.08 0.18 0.07 0.24 0.02 0.00 0.00 177.57 178.16 3mb5 h MET 201 N 0.87 0.15 -0.72 1.57 2.86 -1.00 -0.81 114.93 117.85 3mb5 h MET 201 Ca 0.23 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3mb5 h MET 201 Cb -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3mb5 h MET 201 CO -0.05 0.10 0.23 0.00 1.06 0.00 0.00 176.91 178.25 3mb5 h ARG 202 N 0.15 1.10 -0.48 1.72 3.08 -1.04 -1.80 114.38 117.11 3mb5 h ARG 202 Ca 0.06 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3mb5 h ARG 202 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3mb5 h ARG 202 CO -0.05 0.94 0.11 1.25 -1.07 0.00 0.00 179.97 181.15 3mb5 h LEU 203 N 1.06 0.74 -1.17 3.04 5.85 -0.81 -2.55 115.31 121.47 3mb5 h LEU 203 Ca 0.23 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3mb5 h LEU 203 Cb 0.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3mb5 h LEU 203 CO -0.01 0.79 -0.32 0.45 -0.34 0.00 0.00 178.44 179.00 3mb5 h HIS 204 N 0.66 0.18 -0.53 1.25 3.86 -0.93 0.66 115.15 120.30 3mb5 h HIS 204 Ca 0.15 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3mb5 h HIS 204 Cb 0.34 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3mb5 h HIS 204 CO 0.02 0.47 0.32 1.49 0.86 0.00 0.00 177.93 181.09 3mb5 h GLU 205 N 0.14 0.62 -0.25 2.45 4.81 -1.07 -0.41 114.58 120.86 3mb5 h GLU 205 Ca 0.02 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.02 3mb5 h GLU 205 Cb 0.65 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3mb5 h GLU 205 CO 0.05 0.41 -0.60 -0.22 -0.73 0.00 0.00 179.01 177.92 3mb5 h LYS 206 N 0.64 0.84 -0.35 1.92 1.63 -1.00 -2.30 116.57 117.94 3mb5 h LYS 206 Ca 0.21 -0.56 -0.05 0.00 -0.85 0.00 0.00 60.65 59.40 3mb5 h LYS 206 Cb 0.01 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3mb5 h LYS 206 CO -0.09 1.19 0.01 -0.07 -3.45 0.00 0.00 179.45 177.04 3mb5 h LEU 207 N 0.63 0.51 -0.53 5.20 3.38 -0.66 -1.35 115.31 122.49 3mb5 h LEU 207 Ca -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3mb5 h LEU 207 Cb 1.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3mb5 h LEU 207 CO 0.13 0.57 0.19 0.03 0.09 0.00 0.00 178.44 179.46 3mb5 h ARG 208 N 0.52 0.80 -0.83 1.13 3.08 -0.91 -0.97 114.38 117.20 3mb5 h ARG 208 Ca 0.11 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3mb5 h ARG 208 Cb 0.32 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3mb5 h ARG 208 CO 0.01 0.72 0.54 1.49 -1.07 0.00 0.00 179.97 181.66 3mb5 h GLU 209 N 0.72 0.86 -0.93 0.04 4.81 -0.97 -2.27 114.58 116.84 3mb5 h GLU 209 Ca 0.17 -0.05 -0.45 0.00 -0.13 0.00 0.00 59.36 58.90 3mb5 h GLU 209 Cb 0.23 -0.19 -0.27 0.00 0.63 0.00 0.00 28.75 29.15 3mb5 h GLU 209 CO -0.01 0.57 0.56 1.19 -0.73 0.00 0.00 179.01 180.58 3mb5 n PHE 210 N -4.49 2.89 0.05 0.92 3.01 -0.55 -4.73 117.46 114.56 3mb5 n PHE 210 Ca 0.13 -1.72 0.16 0.00 1.01 0.00 0.00 57.45 57.04 3mb5 n PHE 210 Cb 0.24 -0.88 0.65 0.00 -0.01 0.00 0.00 39.48 39.48 3mb5 n PHE 210 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3mb5 h LYS 211 N 1.33 0.06 -0.24 -1.08 2.10 -0.58 -0.73 116.57 117.43 3mb5 h LYS 211 Ca 0.55 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3mb5 h LYS 211 Cb 2.73 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 34.05 3mb5 h LYS 211 CO 1.01 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 178.25 3mb5 n ASP 212 N -4.43 1.20 -0.00 7.07 8.00 -1.26 -3.25 116.55 123.88 3mb5 n ASP 212 Ca 0.07 -2.01 0.02 0.00 0.71 0.00 0.00 54.79 53.58 3mb5 n ASP 212 Cb 0.46 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3mb5 n ASP 212 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3mb5 n TYR 213 N 0.14 0.00 -4.15 1.24 4.01 -0.28 -3.31 117.16 114.81 3mb5 n TYR 213 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 3mb5 n TYR 213 Cb 0.19 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 3mb5 n TYR 213 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3mb5 s PHE 214 N -1.76 0.90 1.02 -0.72 0.40 -1.20 -1.21 117.98 115.40 3mb5 s PHE 214 Ca 0.00 -0.76 -0.13 0.00 -0.60 0.00 0.00 56.93 55.44 3mb5 s PHE 214 Cb 0.03 -0.51 0.20 0.00 0.51 0.00 0.00 43.02 43.25 3mb5 s PHE 214 CO 0.19 -0.09 1.11 -1.64 0.70 0.00 0.00 175.22 175.48 3mb5 s MET 215 N -3.10 0.28 0.14 0.44 -1.94 0.65 -4.81 119.30 110.97 3mb5 s MET 215 Ca 0.06 0.37 -0.32 0.00 -1.71 0.00 0.00 55.69 54.08 3mb5 s MET 215 Cb -0.00 -1.73 -0.12 0.00 2.01 0.00 0.00 34.83 34.99 3mb5 s MET 215 CO -0.02 -2.80 1.74 1.17 -0.01 0.00 0.00 175.02 175.10 3mb5 n LYS 216 N -4.20 2.57 -1.77 2.03 4.81 -1.26 -4.45 118.16 115.89 3mb5 n LYS 216 Ca 0.06 0.93 -0.32 0.00 -0.87 0.00 0.00 58.31 58.11 3mb5 n LYS 216 Cb 0.58 -2.78 0.04 0.00 0.02 0.00 0.00 35.03 32.89 3mb5 n LYS 216 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3mb5 s PRO 217 N 1.89 2.97 -0.03 1.64 0.04 -1.26 -4.77 135.00 135.47 3mb5 s PRO 217 Ca 0.80 1.19 0.01 0.00 0.04 0.00 0.00 61.00 63.04 3mb5 s PRO 217 Cb -0.56 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.02 3mb5 s PRO 217 CO 0.37 -1.09 -0.04 0.50 0.04 0.00 0.00 177.00 176.77 3mb5 s ARG 218 N -4.39 0.70 -0.09 4.56 3.52 -0.49 -4.98 118.95 117.78 3mb5 s ARG 218 Ca 0.63 -0.10 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 3mb5 s ARG 218 Cb -0.17 -0.72 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 3mb5 s ARG 218 CO 0.44 -0.05 -0.22 0.99 -0.81 0.00 0.00 175.30 175.66 3mb5 s THR 219 N 0.73 2.27 0.24 4.11 2.01 -1.26 -0.48 115.64 123.25 3mb5 s THR 219 Ca -0.09 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 60.99 3mb5 s THR 219 Cb -0.12 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3mb5 s THR 219 CO -0.00 0.56 -0.05 0.27 -0.69 0.00 0.00 174.62 174.71 3mb5 s ILE 220 N 0.09 1.35 0.01 1.82 -4.36 0.07 -4.95 121.20 115.22 3mb5 s ILE 220 Ca -0.10 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.20 3mb5 s ILE 220 Cb -0.16 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 3mb5 s ILE 220 CO 0.06 -0.38 -0.01 0.54 0.24 0.00 0.00 174.94 175.38 3mb5 s ASN 221 N -3.35 0.13 -0.11 4.36 4.22 -1.26 -0.68 114.94 118.25 3mb5 s ASN 221 Ca 0.27 -0.28 0.01 0.00 -2.14 0.00 0.00 52.86 50.72 3mb5 s ASN 221 Cb 0.04 0.06 -0.01 0.00 1.28 0.00 0.00 41.25 42.62 3mb5 s ASN 221 CO 0.09 -0.18 -0.16 -0.69 -2.04 0.00 0.00 177.10 174.12 3mb5 s VAL 222 N -0.85 2.77 -0.08 3.54 1.01 -1.26 -5.07 120.40 120.45 3mb5 s VAL 222 Ca -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3mb5 s VAL 222 Cb -0.06 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 3mb5 s VAL 222 CO -0.01 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 174.66 3mb5 s LEU 223 N 0.24 2.00 -0.20 3.92 1.02 -1.26 -4.85 118.68 119.55 3mb5 s LEU 223 Ca -0.11 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.56 3mb5 s LEU 223 Cb -0.16 -1.27 0.03 0.00 0.02 0.00 0.00 46.19 44.81 3mb5 s LEU 223 CO 0.06 0.16 -0.16 -0.69 0.02 0.00 0.00 176.35 175.74 3mb5 s VAL 224 N 0.23 2.24 -0.15 -1.59 1.01 -1.26 -5.11 120.40 115.77 3mb5 s VAL 224 Ca -0.13 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 3mb5 s VAL 224 Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3mb5 s VAL 224 CO 0.06 0.40 0.24 -0.36 0.00 0.00 0.00 175.10 175.45 3mb5 s PHE 225 N 1.27 3.49 0.16 5.22 0.40 -1.26 -4.75 117.98 122.52 3mb5 s PHE 225 Ca 0.02 0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 56.70 3mb5 s PHE 225 Cb -0.15 -2.24 -0.08 0.00 0.51 0.00 0.00 43.02 41.07 3mb5 s PHE 225 CO -0.10 0.35 0.68 -0.51 0.70 0.00 0.00 175.22 176.34 3mb5 s ASP 226 N 0.11 7.13 -0.11 1.36 1.01 -1.26 -5.02 116.67 119.88 3mb5 s ASP 226 Ca 0.15 1.41 -0.04 0.00 0.71 0.00 0.00 52.55 54.78 3mb5 s ASP 226 Cb -0.13 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3mb5 s ASP 226 CO 0.03 0.16 0.03 -1.10 0.21 0.00 0.00 175.17 174.50 3mb5 s GLN 227 N -1.50 3.29 -0.29 8.23 -1.52 -1.26 -0.96 119.66 125.65 3mb5 s GLN 227 Ca 0.37 -0.37 -0.14 0.00 -1.95 0.00 0.00 55.36 53.27 3mb5 s GLN 227 Cb -0.19 -2.93 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 3mb5 s GLN 227 CO 0.22 0.59 0.31 -2.00 -0.25 0.00 0.00 175.29 174.16 3mb5 s GLU 228 N -0.57 3.91 -0.47 2.91 2.12 0.98 -4.79 118.70 122.80 3mb5 s GLU 228 Ca 0.10 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.30 3mb5 s GLU 228 Cb -0.12 -3.68 0.12 0.00 0.26 0.00 0.00 34.13 30.71 3mb5 s GLU 228 CO 0.02 -0.29 0.21 0.08 -0.54 0.00 0.00 175.26 174.74 3mb5 s VAL 229 N 1.95 2.41 0.21 3.70 1.01 -1.26 -1.38 120.40 127.03 3mb5 s VAL 229 Ca 0.12 -3.01 0.05 0.00 0.00 0.00 0.00 61.98 59.13 3mb5 s VAL 229 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3mb5 s VAL 229 CO 0.11 -0.76 0.30 -0.54 0.00 0.00 0.00 175.10 174.21 3mb5 s LYS 230 N 0.07 3.34 0.32 2.72 1.02 -0.27 -4.98 119.74 121.96 3mb5 s LYS 230 Ca 0.15 -0.76 0.10 0.00 0.02 0.00 0.00 55.97 55.48 3mb5 s LYS 230 Cb -0.24 -2.85 0.92 0.00 -0.52 0.00 0.00 37.83 35.14 3mb5 s LYS 230 CO -0.02 0.45 1.70 -0.22 -0.92 0.00 0.00 175.35 176.34 3mb5 h LYS 231 N 1.55 0.43 -0.13 1.68 3.64 -2.04 -1.91 116.57 119.78 3mb5 h LYS 231 Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3mb5 h LYS 231 Cb 1.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3mb5 h LYS 231 CO 0.63 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 178.49 3mb5 n GLU 232 N -4.99 1.41 -3.28 1.90 -0.58 -1.26 -4.92 120.64 108.92 3mb5 n GLU 232 Ca 0.28 -1.53 -0.01 0.00 -0.42 0.00 0.00 57.16 55.47 3mb5 n GLU 232 Cb 0.81 -1.27 -0.04 0.00 -0.57 0.00 0.00 31.44 30.37 3mb5 n GLU 232 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mb5 s MET 234 N 2.75 3.87 0.13 0.00 1.75 -1.26 -1.11 119.30 125.43 3mb5 s MET 234 Ca 0.15 -0.39 -0.21 0.00 -1.25 0.00 0.00 55.69 53.99 3mb5 s MET 234 Cb -0.15 -3.20 0.06 0.00 2.84 0.00 0.00 34.83 34.38 3mb5 s MET 234 CO -0.19 0.17 0.53 -0.98 -0.65 0.00 0.00 175.02 173.91 3mb5 s ARG 235 N 0.63 1.17 0.54 4.11 1.70 -0.48 -5.01 118.95 121.60 3mb5 s ARG 235 Ca 0.03 -0.48 -0.22 0.00 -0.47 0.00 0.00 55.73 54.58 3mb5 s ARG 235 Cb -0.13 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3mb5 s ARG 235 CO 0.02 -0.48 1.32 -2.14 -1.08 0.00 0.00 175.30 172.93 3mb5 s PRO 236 N -3.49 3.22 0.38 3.89 0.02 -1.26 -0.01 135.00 137.74 3mb5 s PRO 236 Ca 0.00 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.90 3mb5 s PRO 236 Cb -0.00 -2.25 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 3mb5 s PRO 236 CO -0.10 -1.10 0.97 -2.13 -0.33 0.00 0.00 177.00 174.31 3mb5 n ARG 237 N -0.99 1.29 -0.30 5.54 0.63 -0.13 -4.65 116.66 118.04 3mb5 n ARG 237 Ca 0.10 0.46 -0.04 0.00 -0.92 0.00 0.00 57.85 57.45 3mb5 n ARG 237 Cb 0.46 -1.93 0.07 0.00 0.45 0.00 0.00 32.46 31.51 3mb5 n ARG 237 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3mb5 h THR 238 N 1.62 1.23 -4.08 5.15 2.02 -1.92 -3.43 112.91 113.50 3mb5 h THR 238 Ca -0.43 -0.53 -0.69 0.00 0.77 0.00 0.00 66.41 65.53 3mb5 h THR 238 Cb 1.34 0.10 -0.24 0.00 -1.74 0.00 0.00 68.15 67.62 3mb5 h THR 238 CO 0.57 0.25 -0.87 -0.89 0.37 0.00 0.00 175.52 174.95 3mb5 s THR 239 N -5.94 2.27 0.05 3.16 2.01 -1.26 -5.14 115.64 110.79 3mb5 s THR 239 Ca -0.13 -1.55 -0.00 0.00 0.31 0.00 0.00 61.69 60.32 3mb5 s THR 239 Cb 0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3mb5 s THR 239 CO 0.81 0.23 -0.04 0.00 -0.69 0.00 0.00 174.62 174.92 3mb5 s ALA 240 N -0.95 0.51 -0.54 7.40 0.00 -1.26 -4.92 121.76 122.00 3mb5 s ALA 240 Ca 0.13 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 3mb5 s ALA 240 Cb -0.10 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3mb5 s ALA 240 CO 0.04 -0.29 1.46 -1.17 0.00 0.00 0.00 175.76 175.80 3mb5 s LEU 241 N -2.59 3.41 -0.01 0.00 2.96 -1.26 -4.88 118.68 116.31 3mb5 s LEU 241 Ca 0.02 0.37 0.22 0.00 -0.22 0.00 0.00 54.13 54.52 3mb5 s LEU 241 Cb 0.03 -3.08 -0.27 0.00 0.50 0.00 0.00 46.19 43.37 3mb5 s LEU 241 CO -0.07 -1.73 0.71 1.33 -1.32 0.00 0.00 176.35 175.27 3mb5 n VAL 242 N 6.92 0.01 -3.73 1.68 0.24 -1.26 -4.56 118.33 117.62 3mb5 n VAL 242 Ca 0.14 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 3mb5 n VAL 242 Cb 0.49 0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 33.24 3mb5 n VAL 242 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3mb5 s HIS 243 N -3.24 -0.26 0.03 6.34 5.65 -1.26 -4.85 115.29 117.70 3mb5 s HIS 243 Ca 0.01 0.66 -0.01 0.00 0.25 0.00 0.00 55.06 55.96 3mb5 s HIS 243 Cb 0.15 -0.02 -0.00 0.00 -1.18 0.00 0.00 32.58 31.53 3mb5 s HIS 243 CO 0.89 -0.21 -0.02 0.25 -0.65 0.00 0.00 174.74 175.00 3mb5 n THR 244 N 4.27 0.61 -3.70 0.89 -2.24 -1.26 -5.15 114.28 107.70 3mb5 n THR 244 Ca -0.25 0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 3mb5 n THR 244 Cb 0.52 -1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.38 3mb5 n THR 244 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mb5 s GLY 245 N -3.53 -0.28 0.38 3.38 0.00 -1.26 -4.39 107.32 101.62 3mb5 s GLY 245 Ca -0.02 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.74 3mb5 s GLY 245 CO 0.02 0.05 0.78 -0.19 0.00 0.00 0.00 173.10 173.76 3mb5 s TYR 246 N -3.53 3.42 -0.12 1.90 1.51 -0.07 -4.62 117.35 115.83 3mb5 s TYR 246 Ca 0.09 1.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.34 3mb5 s TYR 246 Cb -0.03 -2.52 0.02 0.00 -0.11 0.00 0.00 41.96 39.32 3mb5 s TYR 246 CO -0.00 -0.04 -0.14 0.42 -1.11 0.00 0.00 175.55 174.68 3mb5 s ILE 247 N -2.21 1.46 -0.13 2.71 1.01 0.14 -0.86 121.20 123.32 3mb5 s ILE 247 Ca 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3mb5 s ILE 247 Cb -0.10 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3mb5 s ILE 247 CO 0.24 0.44 -0.14 -0.89 0.00 0.00 0.00 174.94 174.59 3mb5 s THR 248 N 1.17 2.99 -0.05 2.92 2.01 0.12 -0.75 115.64 124.05 3mb5 s THR 248 Ca -0.03 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.33 3mb5 s THR 248 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3mb5 s THR 248 CO -0.04 0.53 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.88 3mb5 s PHE 249 N 0.36 2.62 -0.11 4.92 0.40 0.37 -0.89 117.98 125.66 3mb5 s PHE 249 Ca -0.11 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 3mb5 s PHE 249 Cb -0.16 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.81 3mb5 s PHE 249 CO 0.06 0.10 0.22 0.00 0.70 0.00 0.00 175.22 176.30 3mb5 s ALA 250 N -0.62 -0.45 -0.10 5.36 0.00 -0.06 -1.40 121.76 124.49 3mb5 s ALA 250 Ca 0.09 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3mb5 s ALA 250 Cb -0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3mb5 s ALA 250 CO 0.01 -0.42 0.40 0.50 0.00 0.00 0.00 175.76 176.24 3mb5 s ARG 251 N 1.86 4.18 0.12 0.00 3.52 -1.26 -0.72 118.95 126.64 3mb5 s ARG 251 Ca -0.03 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.59 3mb5 s ARG 251 Cb -0.11 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 3mb5 s ARG 251 CO -0.08 0.35 1.23 0.50 -0.81 0.00 0.00 175.30 176.48 3mb5 s ARG 252 N 0.06 4.44 -0.06 5.12 6.06 0.60 -0.25 118.95 134.92 3mb5 s ARG 252 Ca 0.22 1.86 -0.05 0.00 -2.50 0.00 0.00 55.73 55.26 3mb5 s ARG 252 Cb -0.15 -3.28 0.02 0.00 0.06 0.00 0.00 34.95 31.60 3mb5 s ARG 252 CO 0.09 -0.21 0.15 -1.50 -2.50 0.00 0.00 175.30 171.34 3mb5 s ILE 253 N 0.57 -0.01 -0.15 4.11 2.07 -0.35 -0.08 121.20 127.37 3mb5 s ILE 253 Ca 0.57 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.62 3mb5 s ILE 253 Cb -0.32 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3mb5 s ILE 253 CO 0.33 0.01 0.65 -0.76 -1.91 0.00 0.00 174.94 173.26 3mb5 s LEU 254 N 0.23 4.21 0.00 8.50 1.02 -1.26 -4.03 118.68 127.35 3mb5 s LEU 254 Ca -0.01 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.11 3mb5 s LEU 254 Cb -0.02 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.23 3mb5 s LEU 254 CO -0.01 -0.20 0.00 -0.62 0.02 0.00 0.00 176.35 175.54