#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pf8 n GLU 2 N 0.00 0.10 -0.12 2.12 0.00 -1.26 -1.76 120.64 119.71 1pf8 n GLU 2 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 57.16 57.55 1pf8 n GLU 2 Cb 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 31.44 29.81 1pf8 n GLU 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1pf8 n ASN 3 N -1.88 1.38 -3.75 -1.84 2.85 -1.26 -4.69 115.26 106.06 1pf8 n ASN 3 Ca 0.02 -2.10 -0.19 0.00 -0.11 0.00 0.00 54.58 52.21 1pf8 n ASN 3 Cb 0.17 -0.36 -0.17 0.00 1.24 0.00 0.00 39.78 40.67 1pf8 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1pf8 s PHE 4 N -1.51 0.26 -0.29 1.20 0.08 -0.72 -1.48 117.98 115.51 1pf8 s PHE 4 Ca 0.09 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.09 1pf8 s PHE 4 Cb 0.06 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 1pf8 s PHE 4 CO 0.04 -0.18 0.24 -1.14 -0.10 0.00 0.00 175.22 174.08 1pf8 s GLN 5 N 1.59 3.88 0.56 0.44 2.00 -0.60 -4.87 119.66 122.66 1pf8 s GLN 5 Ca -0.02 -0.30 -0.20 0.00 -2.00 0.00 0.00 55.36 52.85 1pf8 s GLN 5 Cb -0.13 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.95 1pf8 s GLN 5 CO -0.03 -0.25 1.23 0.15 -0.50 0.00 0.00 175.29 175.88 1pf8 s LYS 6 N 1.83 3.13 -0.10 1.67 1.02 -1.26 -1.52 119.74 124.51 1pf8 s LYS 6 Ca 0.09 1.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.95 1pf8 s LYS 6 Cb -0.16 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1pf8 s LYS 6 CO 0.11 -1.10 -0.10 0.28 -0.92 0.00 0.00 175.35 173.61 1pf8 n VAL 7 N -1.31 0.55 -3.62 3.17 0.31 0.16 -4.90 118.33 112.70 1pf8 n VAL 7 Ca 0.12 -0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.27 1pf8 n VAL 7 Cb 0.49 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 32.23 1pf8 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1pf8 s GLU 8 N -2.19 0.38 -0.30 5.55 -1.05 -1.20 -5.01 118.70 114.88 1pf8 s GLU 8 Ca -0.13 -0.20 -0.29 0.00 -0.15 0.00 0.00 54.97 54.19 1pf8 s GLU 8 Cb 0.04 0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1pf8 s GLU 8 CO 0.20 -0.17 1.10 0.21 0.95 0.00 0.00 175.26 177.55 1pf8 s LYS 9 N -2.42 4.09 -0.04 -4.83 2.20 -1.26 -1.37 119.74 116.11 1pf8 s LYS 9 Ca 0.13 1.17 0.15 0.00 -0.36 0.00 0.00 55.97 57.06 1pf8 s LYS 9 Cb 0.04 -3.74 -0.21 0.00 -1.51 0.00 0.00 37.83 32.41 1pf8 s LYS 9 CO -0.04 -0.87 0.61 1.51 -0.36 0.00 0.00 175.35 176.19 1pf8 n ILE 10 N 5.80 1.40 -2.82 5.43 0.13 -0.85 -4.89 119.36 123.56 1pf8 n ILE 10 Ca 0.12 -0.77 0.00 0.00 -1.10 0.00 0.00 62.75 61.01 1pf8 n ILE 10 Cb 0.47 -0.82 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 1pf8 n ILE 10 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pf8 n GLY 11 N 1.53 1.64 0.00 4.50 0.00 -0.73 -4.98 105.19 107.15 1pf8 n GLY 11 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pf8 n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pf8 n GLU 12 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -2.93 120.64 117.48 1pf8 n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pf8 n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1pf8 n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pf8 n GLY 13 N 0.00 3.48 0.19 0.62 0.00 -1.21 -4.31 105.19 103.96 1pf8 n GLY 13 Ca 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 44.20 1pf8 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pf8 h THR 14 N 0.23 0.90 0.10 2.61 2.02 -1.94 -3.25 112.91 113.59 1pf8 h THR 14 Ca 0.00 -1.49 -0.26 0.00 0.77 0.00 0.00 66.41 65.43 1pf8 h THR 14 Cb 0.00 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1pf8 h THR 14 CO 0.00 0.36 -1.18 0.22 0.37 0.00 0.00 175.52 175.30 1pf8 h TYR 15 N 0.00 0.42 -0.61 3.16 3.20 -1.95 -3.44 116.97 117.75 1pf8 h TYR 15 Ca -0.00 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1pf8 h TYR 15 Cb 0.87 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1pf8 h TYR 15 CO 0.00 1.22 0.00 0.41 -1.64 0.00 0.00 178.16 178.15 1pf8 n GLY 16 N 1.45 1.29 3.04 1.82 0.00 -1.23 -4.65 105.19 106.91 1pf8 n GLY 16 Ca -0.07 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 1pf8 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pf8 s VAL 17 N -2.32 1.98 0.06 1.61 1.01 -0.64 -3.35 120.40 118.75 1pf8 s VAL 17 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 61.98 60.22 1pf8 s VAL 17 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1pf8 s VAL 17 CO 0.00 -0.02 0.88 -0.69 0.00 0.00 0.00 175.10 175.27 1pf8 s VAL 18 N 1.19 4.67 0.10 2.92 1.01 -1.15 -2.02 120.40 127.13 1pf8 s VAL 18 Ca -0.07 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1pf8 s VAL 18 Cb -0.19 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1pf8 s VAL 18 CO -0.06 0.30 -0.13 -0.31 0.00 0.00 0.00 175.10 174.90 1pf8 s TYR 19 N 0.20 1.28 -0.37 5.22 2.02 0.05 -1.77 117.35 123.98 1pf8 s TYR 19 Ca 0.44 -0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 56.44 1pf8 s TYR 19 Cb -0.22 -0.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1pf8 s TYR 19 CO 0.26 0.09 0.39 0.21 -1.57 0.00 0.00 175.55 174.94 1pf8 s LYS 20 N -2.36 3.43 0.33 -0.62 2.20 -0.47 -1.10 119.74 121.15 1pf8 s LYS 20 Ca 0.04 -0.50 0.09 0.00 -0.36 0.00 0.00 55.97 55.24 1pf8 s LYS 20 Cb -0.06 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.34 1pf8 s LYS 20 CO 0.02 -0.63 -0.09 0.00 -0.36 0.00 0.00 175.35 174.29 1pf8 s ALA 21 N 2.08 2.83 -0.06 3.13 0.00 -0.60 0.39 121.76 129.52 1pf8 s ALA 21 Ca 0.12 -2.05 0.04 0.00 0.00 0.00 0.00 51.96 50.07 1pf8 s ALA 21 Cb -0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1pf8 s ALA 21 CO 0.12 0.05 -0.18 -0.98 0.00 0.00 0.00 175.76 174.77 1pf8 s ARG 22 N -3.63 2.10 -0.22 0.00 1.70 -0.58 -0.06 118.95 118.27 1pf8 s ARG 22 Ca 0.32 -0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 1pf8 s ARG 22 Cb 0.03 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.64 1pf8 s ARG 22 CO 0.15 0.21 1.55 1.21 -1.08 0.00 0.00 175.30 177.34 1pf8 s ASN 23 N 0.20 6.47 0.58 -2.89 3.84 -0.86 -1.56 114.94 120.71 1pf8 s ASN 23 Ca -0.09 1.60 0.28 0.00 0.21 0.00 0.00 52.86 54.86 1pf8 s ASN 23 Cb -0.14 -2.53 1.61 0.00 -0.55 0.00 0.00 41.25 39.64 1pf8 s ASN 23 CO 0.04 -1.18 2.10 0.11 -2.79 0.00 0.00 177.10 175.38 1pf8 h LYS 24 N 10.29 0.00 0.00 0.43 1.57 -1.62 0.35 116.57 127.59 1pf8 h LYS 24 Ca -0.32 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.19 1pf8 h LYS 24 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1pf8 h LYS 24 CO 1.00 0.00 -1.66 1.28 -0.57 0.00 0.00 179.45 179.50 1pf8 n LEU 25 N -3.91 1.91 0.08 2.94 4.77 -1.26 -4.66 117.00 116.86 1pf8 n LEU 25 Ca 0.02 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1pf8 n LEU 25 Cb 0.33 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1pf8 n LEU 25 CO 0.29 0.22 0.59 0.74 -1.33 0.00 0.00 177.39 177.90 1pf8 h THR 26 N -1.00 0.98 0.00 -5.08 2.02 -1.93 -3.47 112.91 104.43 1pf8 h THR 26 Ca -0.40 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1pf8 h THR 26 Cb 1.29 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1pf8 h THR 26 CO -0.24 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.44 1pf8 n GLY 27 N -0.10 2.38 3.76 2.16 0.00 0.12 -5.01 105.19 108.51 1pf8 n GLY 27 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1pf8 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pf8 n GLU 28 N -0.23 2.56 -3.08 1.61 4.07 -1.26 -4.47 120.64 119.84 1pf8 n GLU 28 Ca 0.00 0.90 -0.39 0.00 -0.06 0.00 0.00 57.16 57.60 1pf8 n GLU 28 Cb 0.00 -2.62 -0.05 0.00 -0.06 0.00 0.00 31.44 28.71 1pf8 n GLU 28 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1pf8 s VAL 29 N -1.12 4.91 0.48 6.31 -7.23 -1.26 -2.03 120.40 120.45 1pf8 s VAL 29 Ca 0.54 1.43 0.02 0.00 -1.81 0.00 0.00 61.98 62.16 1pf8 s VAL 29 Cb -0.48 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.41 1pf8 s VAL 29 CO 0.63 0.34 0.04 0.68 -0.31 0.00 0.00 175.10 176.47 1pf8 s VAL 30 N 0.23 1.04 -0.42 1.32 -7.23 0.91 -4.30 120.40 111.96 1pf8 s VAL 30 Ca 0.36 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1pf8 s VAL 30 Cb -0.19 -2.24 0.11 0.00 0.56 0.00 0.00 36.38 34.63 1pf8 s VAL 30 CO 0.19 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.13 1pf8 s ALA 31 N -2.96 2.90 0.06 1.32 0.00 0.37 -1.56 121.76 121.88 1pf8 s ALA 31 Ca 0.12 -2.77 -0.26 0.00 0.00 0.00 0.00 51.96 49.04 1pf8 s ALA 31 Cb 0.02 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1pf8 s ALA 31 CO 0.07 -1.85 0.80 -1.17 0.00 0.00 0.00 175.76 173.61 1pf8 s LEU 32 N 0.43 4.46 -0.24 0.00 2.96 -0.25 -0.93 118.68 125.11 1pf8 s LEU 32 Ca 0.14 1.51 -0.01 0.00 -0.22 0.00 0.00 54.13 55.55 1pf8 s LEU 32 Cb -0.22 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.20 1pf8 s LEU 32 CO -0.05 -0.00 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.14 1pf8 s LYS 33 N -0.04 2.83 -0.30 1.98 2.20 0.07 -0.77 119.74 125.72 1pf8 s LYS 33 Ca 0.40 -0.97 -0.27 0.00 -0.36 0.00 0.00 55.97 54.77 1pf8 s LYS 33 Cb -0.21 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1pf8 s LYS 33 CO 0.24 -0.37 0.98 0.15 -0.36 0.00 0.00 175.35 175.99 1pf8 s LYS 34 N 1.31 4.08 -0.32 4.03 1.02 -0.86 -1.98 119.74 127.01 1pf8 s LYS 34 Ca 0.00 0.98 0.03 0.00 0.02 0.00 0.00 55.97 57.00 1pf8 s LYS 34 Cb -0.16 -3.71 0.09 0.00 -0.52 0.00 0.00 37.83 33.53 1pf8 s LYS 34 CO -0.06 -0.77 0.04 0.42 -0.92 0.00 0.00 175.35 174.06 1pf8 s ILE 35 N 3.34 2.06 0.50 2.17 1.01 0.16 -1.62 121.20 128.81 1pf8 s ILE 35 Ca 0.41 -2.12 -0.19 0.00 0.00 0.00 0.00 60.65 58.75 1pf8 s ILE 35 Cb -0.13 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.77 1pf8 s ILE 35 CO 0.12 -0.54 1.03 0.00 0.00 0.00 0.00 174.94 175.56 1pf8 s ARG 36 N 1.03 3.76 0.17 2.79 3.03 -1.26 -0.49 118.95 127.98 1pf8 s ARG 36 Ca 0.08 1.31 0.07 0.00 2.03 0.00 0.00 55.73 59.22 1pf8 s ARG 36 Cb -0.19 -2.09 -0.04 0.00 -1.03 0.00 0.00 34.95 31.60 1pf8 s ARG 36 CO -0.10 -0.46 0.02 -0.51 -1.13 0.00 0.00 175.30 173.13 1pf8 s LEU 37 N -3.63 3.41 -0.93 -1.89 1.02 0.14 -2.89 118.68 113.90 1pf8 s LEU 37 Ca 0.66 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.45 1pf8 s LEU 37 Cb -0.16 -2.06 0.24 0.00 0.02 0.00 0.00 46.19 44.24 1pf8 s LEU 37 CO 0.22 0.09 0.90 -0.67 0.02 0.00 0.00 176.35 176.92 1pf8 n ASP 38 N -0.10 4.58 0.00 2.29 4.64 -1.25 -4.66 116.55 122.05 1pf8 n ASP 38 Ca -0.10 -3.18 0.05 0.00 -1.38 0.00 0.00 54.79 50.19 1pf8 n ASP 38 Cb 0.55 -1.09 0.26 0.00 -1.04 0.00 0.00 41.12 39.80 1pf8 n ASP 38 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1pf8 n THR 39 N 2.12 0.89 -0.04 5.18 -1.04 -1.26 -1.14 114.28 118.99 1pf8 n THR 39 Ca 0.23 0.22 -0.13 0.00 -2.04 0.00 0.00 64.05 62.33 1pf8 n THR 39 Cb 0.37 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 1pf8 n THR 39 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pf8 h GLU 40 N 0.00 0.25 -1.34 -2.82 5.08 -2.00 -3.39 114.58 110.37 1pf8 h GLU 40 Ca 0.00 -0.14 -0.43 0.00 -1.00 0.00 0.00 59.36 57.79 1pf8 h GLU 40 Cb 0.13 0.01 -0.31 0.00 0.50 0.00 0.00 28.75 29.08 1pf8 h GLU 40 CO 0.00 0.70 -0.93 2.41 -1.00 0.00 0.00 179.01 180.19 1pf8 n THR 41 N -4.62 -0.30 -1.69 1.13 -1.04 -1.06 -5.14 114.28 101.56 1pf8 n THR 41 Ca -0.07 -3.36 -0.32 0.00 -2.04 0.00 0.00 64.05 58.26 1pf8 n THR 41 Cb 0.35 -0.28 0.04 0.00 -1.82 0.00 0.00 70.33 68.62 1pf8 n THR 41 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pf8 s GLU 42 N -1.02 2.98 -0.12 -2.82 2.56 -0.29 -4.96 118.70 115.02 1pf8 s GLU 42 Ca 0.34 1.07 -0.06 0.00 0.00 0.00 0.00 54.97 56.32 1pf8 s GLU 42 Cb 0.26 -1.99 0.05 0.00 2.00 0.00 0.00 34.13 34.44 1pf8 s GLU 42 CO -0.12 -1.07 0.29 0.20 -0.56 0.00 0.00 175.26 174.00 1pf8 s GLY 43 N -3.40 -0.19 -1.18 -1.50 0.00 -1.26 -4.99 107.32 94.81 1pf8 s GLY 43 Ca 0.60 1.13 -0.26 0.00 0.00 0.00 0.00 44.72 46.19 1pf8 s GLY 43 CO 0.49 1.40 0.49 3.33 0.00 0.00 0.00 173.10 178.82 1pf8 n VAL 44 N 4.30 -2.07 0.64 1.40 0.24 -1.26 -4.86 118.33 116.72 1pf8 n VAL 44 Ca -0.24 -0.52 0.13 0.00 -2.04 0.00 0.00 64.34 61.67 1pf8 n VAL 44 Cb 0.53 -1.79 0.43 0.00 -1.47 0.00 0.00 33.84 31.54 1pf8 n VAL 44 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1pf8 n PRO 45 N -4.66 0.23 0.01 7.34 -0.04 -1.26 -2.61 135.00 134.01 1pf8 n PRO 45 Ca -0.14 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1pf8 n PRO 45 Cb 0.54 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 1pf8 n PRO 45 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1pf8 n SER 46 N -2.19 0.43 0.09 3.54 7.64 -1.26 -2.57 113.62 119.30 1pf8 n SER 46 Ca 0.05 0.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 1pf8 n SER 46 Cb 0.40 0.95 0.02 0.00 -1.01 0.00 0.00 64.21 64.57 1pf8 n SER 46 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1pf8 h THR 47 N 0.00 1.49 0.04 0.44 2.02 -1.92 -3.23 112.91 111.75 1pf8 h THR 47 Ca -0.15 -2.53 -0.11 0.00 0.77 0.00 0.00 66.41 64.40 1pf8 h THR 47 Cb 1.41 2.39 0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1pf8 h THR 47 CO 0.02 0.74 -0.44 0.00 0.37 0.00 0.00 175.52 176.20 1pf8 h ALA 48 N 1.04 -0.00 -1.09 6.16 0.00 -1.63 -3.16 119.26 120.58 1pf8 h ALA 48 Ca -0.03 -0.56 0.30 0.00 0.00 0.00 0.00 54.91 54.61 1pf8 h ALA 48 Cb 1.43 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1pf8 h ALA 48 CO 0.12 0.21 0.74 0.97 0.00 0.00 0.00 179.25 181.29 1pf8 h ILE 49 N -0.48 0.47 0.16 0.00 2.10 -1.55 0.38 117.51 118.59 1pf8 h ILE 49 Ca -0.07 -0.07 -0.30 0.00 1.08 0.00 0.00 64.86 65.51 1pf8 h ILE 49 Cb 1.26 0.25 0.02 0.00 -1.09 0.00 0.00 36.82 37.26 1pf8 h ILE 49 CO 0.09 0.04 -1.29 0.03 -1.08 0.00 0.00 178.15 175.93 1pf8 h ARG 50 N 0.20 0.46 0.00 2.19 3.08 -1.64 -2.77 114.38 115.91 1pf8 h ARG 50 Ca 0.57 -0.71 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1pf8 h ARG 50 Cb 1.83 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 1pf8 h ARG 50 CO -0.16 1.32 -0.07 1.49 -1.07 0.00 0.00 179.97 181.48 1pf8 h GLU 51 N 0.16 0.00 0.19 0.04 4.81 -0.32 -2.01 114.58 117.46 1pf8 h GLU 51 Ca -0.18 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.78 1pf8 h GLU 51 Cb 1.99 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.39 1pf8 h GLU 51 CO 0.23 0.07 -1.22 0.82 -0.73 0.00 0.00 179.01 178.18 1pf8 h ILE 52 N 0.00 1.33 0.00 2.32 1.08 -1.01 -3.29 117.51 117.94 1pf8 h ILE 52 Ca -0.00 -2.59 -0.01 0.00 -0.39 0.00 0.00 64.86 61.87 1pf8 h ILE 52 Cb 0.51 3.06 -0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1pf8 h ILE 52 CO 0.01 0.77 -0.06 0.28 -0.69 0.00 0.00 178.15 178.46 1pf8 h SER 53 N -0.11 0.00 1.08 1.72 0.02 -1.18 -1.38 113.55 113.70 1pf8 h SER 53 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1pf8 h SER 53 Cb 1.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.45 1pf8 h SER 53 CO 0.20 0.06 0.00 -0.07 -1.14 0.00 0.00 176.83 175.88 1pf8 h LEU 54 N 0.00 0.00 0.00 5.07 -0.00 -1.44 -2.72 115.31 116.21 1pf8 h LEU 54 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1pf8 h LEU 54 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1pf8 h LEU 54 CO 0.01 0.00 -0.44 -0.07 -0.00 0.00 0.00 178.44 177.94 1pf8 h LEU 55 N 0.00 0.00 -1.33 1.67 3.38 -1.35 -3.30 115.31 114.38 1pf8 h LEU 55 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1pf8 h LEU 55 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1pf8 h LEU 55 CO 0.00 0.08 -0.30 0.11 0.09 0.00 0.00 178.44 178.42 1pf8 h LYS 56 N 0.00 0.00 -0.23 1.13 1.57 -1.53 -2.13 116.57 115.38 1pf8 h LYS 56 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pf8 h LYS 56 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1pf8 h LYS 56 CO 0.01 0.30 0.00 0.39 -0.57 0.00 0.00 179.45 179.58 1pf8 n GLU 57 N -3.78 1.97 -2.42 3.15 4.71 -1.24 -4.61 120.64 118.41 1pf8 n GLU 57 Ca -0.01 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.16 55.26 1pf8 n GLU 57 Cb 0.39 -1.43 0.01 0.00 -1.01 0.00 0.00 31.44 29.40 1pf8 n GLU 57 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1pf8 n LEU 58 N 0.69 6.79 -4.69 -4.62 7.94 -0.80 -4.99 117.00 117.31 1pf8 n LEU 58 Ca 0.17 -4.80 -0.38 0.00 -1.11 0.00 0.00 56.01 49.90 1pf8 n LEU 58 Cb 0.42 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 1pf8 n LEU 58 CO 0.14 1.53 0.10 0.20 -1.11 0.00 0.00 177.39 178.25 1pf8 s ASN 59 N 0.25 6.50 -0.17 1.96 0.02 -1.26 -4.94 114.94 117.29 1pf8 s ASN 59 Ca 0.39 0.59 -0.24 0.00 -1.02 0.00 0.00 52.86 52.58 1pf8 s ASN 59 Cb 0.10 -2.24 0.06 0.00 0.02 0.00 0.00 41.25 39.19 1pf8 s ASN 59 CO 0.01 -0.03 0.63 -2.28 0.02 0.00 0.00 177.10 175.45 1pf8 s HIS 60 N 0.99 -0.66 -1.10 2.20 2.46 -1.26 -5.04 115.29 112.89 1pf8 s HIS 60 Ca 0.20 1.45 0.00 0.00 0.47 0.00 0.00 55.06 57.19 1pf8 s HIS 60 Cb -0.14 0.28 0.01 0.00 -0.13 0.00 0.00 32.58 32.60 1pf8 s HIS 60 CO 0.08 -0.42 0.96 -2.30 -2.47 0.00 0.00 174.74 170.58 1pf8 n PRO 61 N 2.10 0.00 -0.26 2.88 -0.02 -1.26 -1.62 135.00 136.82 1pf8 n PRO 61 Ca -0.16 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1pf8 n PRO 61 Cb 0.56 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.68 1pf8 n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pf8 n ASN 62 N -1.45 2.00 -3.80 2.55 4.13 -1.26 -4.82 115.26 112.61 1pf8 n ASN 62 Ca 0.00 -3.17 -0.25 0.00 1.68 0.00 0.00 54.58 52.84 1pf8 n ASN 62 Cb 0.00 -0.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.64 1pf8 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pf8 s ILE 63 N -2.69 0.56 0.11 2.41 1.01 -0.64 -0.64 121.20 121.33 1pf8 s ILE 63 Ca 0.31 -0.08 -0.35 0.00 0.00 0.00 0.00 60.65 60.53 1pf8 s ILE 63 Cb 0.28 -0.74 -0.15 0.00 0.01 0.00 0.00 42.46 41.87 1pf8 s ILE 63 CO 0.00 0.22 1.49 0.55 0.00 0.00 0.00 174.94 177.20 1pf8 n VAL 64 N 5.08 0.03 -2.18 2.92 3.14 -0.52 -4.53 118.33 122.27 1pf8 n VAL 64 Ca -0.09 -0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.87 1pf8 n VAL 64 Cb 0.50 -1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 32.00 1pf8 n VAL 64 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1pf8 s LYS 65 N 0.89 4.34 -0.51 1.45 1.02 -1.26 -4.92 119.74 120.74 1pf8 s LYS 65 Ca 0.82 2.09 -0.17 0.00 0.02 0.00 0.00 55.97 58.73 1pf8 s LYS 65 Cb -0.80 -3.22 0.09 0.00 -0.52 0.00 0.00 37.83 33.38 1pf8 s LYS 65 CO 0.43 -0.36 0.51 -1.17 -0.92 0.00 0.00 175.35 173.83 1pf8 s LEU 66 N 0.51 5.60 0.03 3.17 0.20 -1.26 -1.83 118.68 125.10 1pf8 s LEU 66 Ca 0.61 -1.37 -0.26 0.00 0.69 0.00 0.00 54.13 53.79 1pf8 s LEU 66 Cb -0.37 -2.26 -0.17 0.00 -0.43 0.00 0.00 46.19 42.96 1pf8 s LEU 66 CO 0.34 -0.81 1.39 -0.07 -0.29 0.00 0.00 176.35 176.91 1pf8 h LEU 67 N 9.14 -0.34 -7.00 -0.68 4.07 -0.72 -3.44 115.31 116.35 1pf8 h LEU 67 Ca -0.29 -0.13 0.05 0.00 0.08 0.00 0.00 57.88 57.59 1pf8 h LEU 67 Cb 1.10 0.09 -0.14 0.00 1.08 0.00 0.00 40.66 42.79 1pf8 h LEU 67 CO 0.97 -0.05 0.36 -0.62 -1.08 0.00 0.00 178.44 178.01 1pf8 s ASP 68 N -5.02 -0.46 -0.15 -0.43 2.15 -1.15 -5.02 116.67 106.59 1pf8 s ASP 68 Ca -0.15 0.02 0.02 0.00 0.43 0.00 0.00 52.55 52.87 1pf8 s ASP 68 Cb 0.03 0.49 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 1pf8 s ASP 68 CO 0.59 -0.78 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.92 1pf8 s VAL 69 N -3.36 2.20 -0.25 1.11 1.01 -1.26 -0.96 120.40 118.89 1pf8 s VAL 69 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1pf8 s VAL 69 Cb -0.01 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.53 1pf8 s VAL 69 CO -0.10 0.54 -0.12 0.27 0.00 0.00 0.00 175.10 175.69 1pf8 s ILE 70 N 0.87 2.16 -0.43 2.22 -4.36 -0.78 -5.01 121.20 115.86 1pf8 s ILE 70 Ca -0.05 -1.59 -0.16 0.00 -0.26 0.00 0.00 60.65 58.58 1pf8 s ILE 70 Cb -0.15 -2.25 0.03 0.00 1.25 0.00 0.00 42.46 41.34 1pf8 s ILE 70 CO -0.03 0.00 0.37 -2.28 0.24 0.00 0.00 174.94 173.25 1pf8 s HIS 71 N 1.11 3.21 -0.15 1.37 2.46 -1.26 -2.28 115.29 119.76 1pf8 s HIS 71 Ca -0.08 -0.61 -0.12 0.00 0.47 0.00 0.00 55.06 54.72 1pf8 s HIS 71 Cb -0.20 -2.84 -0.07 0.00 -0.13 0.00 0.00 32.58 29.34 1pf8 s HIS 71 CO -0.06 -0.69 -0.26 -2.37 -2.47 0.00 0.00 174.74 168.90 1pf8 n THR 72 N 5.26 1.27 0.00 0.89 5.66 -1.22 -5.08 114.28 121.07 1pf8 n THR 72 Ca -0.10 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1pf8 n THR 72 Cb 0.46 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 1pf8 n THR 72 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pf8 n GLU 73 N -4.06 0.00 0.00 1.09 -0.58 -1.26 -4.96 120.64 110.87 1pf8 n GLU 73 Ca -0.25 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.58 1pf8 n GLU 73 Cb 0.58 0.00 0.46 0.00 -0.57 0.00 0.00 31.44 31.91 1pf8 n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1pf8 n ASN 74 N 0.00 0.00 -4.49 1.62 5.15 -1.26 -4.73 115.26 111.55 1pf8 n ASN 74 Ca 0.00 -0.02 -0.29 0.00 -0.60 0.00 0.00 54.58 53.67 1pf8 n ASN 74 Cb 0.00 -0.26 -0.11 0.00 -0.53 0.00 0.00 39.78 38.88 1pf8 n ASN 74 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1pf8 s LYS 75 N -2.52 1.77 -0.08 1.20 -0.14 -1.26 0.23 119.74 118.94 1pf8 s LYS 75 Ca 0.18 -1.22 0.02 0.00 -1.36 0.00 0.00 55.97 53.59 1pf8 s LYS 75 Cb 0.12 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 34.20 1pf8 s LYS 75 CO 0.27 0.47 -0.13 -1.17 -0.76 0.00 0.00 175.35 174.03 1pf8 s LEU 76 N -2.25 1.65 0.04 3.17 2.96 0.36 -3.44 118.68 121.16 1pf8 s LEU 76 Ca 0.19 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 1pf8 s LEU 76 Cb -0.10 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1pf8 s LEU 76 CO 0.10 0.03 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.67 1pf8 s TYR 77 N 0.76 2.55 -0.16 5.38 2.02 -0.96 -0.67 117.35 126.26 1pf8 s TYR 77 Ca -0.12 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1pf8 s TYR 77 Cb -0.16 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1pf8 s TYR 77 CO 0.03 0.24 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.53 1pf8 s LEU 78 N -1.38 2.09 -0.38 -1.29 1.43 -0.84 -1.87 118.68 116.44 1pf8 s LEU 78 Ca 0.14 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 1pf8 s LEU 78 Cb -0.10 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1pf8 s LEU 78 CO 0.05 0.02 0.46 -0.69 0.23 0.00 0.00 176.35 176.42 1pf8 s VAL 79 N 1.15 5.06 0.32 -1.59 1.01 -0.14 -0.75 120.40 125.47 1pf8 s VAL 79 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1pf8 s VAL 79 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1pf8 s VAL 79 CO -0.09 -0.31 0.16 -0.36 0.00 0.00 0.00 175.10 174.50 1pf8 s PHE 80 N 2.24 2.78 0.73 5.22 0.40 -0.11 0.04 117.98 129.28 1pf8 s PHE 80 Ca 0.15 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 1pf8 s PHE 80 Cb -0.16 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.80 1pf8 s PHE 80 CO 0.14 0.36 1.08 -1.83 0.70 0.00 0.00 175.22 175.66 1pf8 s GLU 81 N -3.85 2.63 -0.08 0.44 -1.05 -0.76 -0.48 118.70 115.54 1pf8 s GLU 81 Ca 0.37 0.69 0.03 0.00 -0.15 0.00 0.00 54.97 55.91 1pf8 s GLU 81 Cb -0.04 -1.98 -0.02 0.00 -0.44 0.00 0.00 34.13 31.65 1pf8 s GLU 81 CO 0.23 -1.25 -0.16 0.12 0.95 0.00 0.00 175.26 175.16 1pf8 s PHE 82 N -3.17 2.70 0.16 4.83 5.36 -1.26 -4.34 117.98 122.26 1pf8 s PHE 82 Ca 0.59 -0.44 0.10 0.00 -0.96 0.00 0.00 56.93 56.22 1pf8 s PHE 82 Cb -0.13 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1pf8 s PHE 82 CO 0.54 -0.04 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.53 1pf8 s LEU 83 N -0.21 2.39 0.00 6.12 1.02 -1.26 -5.06 118.68 121.68 1pf8 s LEU 83 Ca 0.00 -0.81 0.22 0.00 0.02 0.00 0.00 54.13 53.56 1pf8 s LEU 83 Cb -0.13 -1.03 1.04 0.00 0.02 0.00 0.00 46.19 46.08 1pf8 s LEU 83 CO 0.03 0.08 1.72 1.41 0.02 0.00 0.00 176.35 179.61 1pf8 n HIS 84 N 0.54 0.00 -3.59 0.29 8.25 -1.24 -4.88 115.22 114.59 1pf8 n HIS 84 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.19 1pf8 n HIS 84 Cb 0.55 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 1pf8 n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1pf8 s GLN 85 N -2.80 0.72 0.22 -0.41 0.74 -1.17 -4.97 119.66 111.99 1pf8 s GLN 85 Ca 0.16 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.99 1pf8 s GLN 85 Cb 0.15 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.55 1pf8 s GLN 85 CO 0.37 -0.17 0.44 0.16 -0.55 0.00 0.00 175.29 175.55 1pf8 s ASP 86 N -0.48 6.43 0.46 6.67 -4.77 -1.26 -0.57 116.67 123.16 1pf8 s ASP 86 Ca -0.02 0.54 0.31 0.00 -3.30 0.00 0.00 52.55 50.08 1pf8 s ASP 86 Cb -0.02 -2.07 1.68 0.00 -1.09 0.00 0.00 42.92 41.42 1pf8 s ASP 86 CO 0.01 -0.07 1.96 0.25 0.70 0.00 0.00 175.17 178.02 1pf8 h LEU 87 N 2.07 0.00 0.04 2.11 5.85 0.30 -2.74 115.31 122.94 1pf8 h LEU 87 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1pf8 h LEU 87 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1pf8 h LEU 87 CO 0.68 0.00 -0.02 0.50 -0.34 0.00 0.00 178.44 179.27 1pf8 h LYS 88 N 0.00 -0.05 -0.63 1.25 3.64 -1.80 -1.07 116.57 117.92 1pf8 h LYS 88 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1pf8 h LYS 88 Cb 0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1pf8 h LYS 88 CO 0.00 0.60 0.42 -0.22 -2.27 0.00 0.00 179.45 177.98 1pf8 h LYS 89 N -0.78 0.73 -0.16 1.90 3.64 -1.84 0.07 116.57 120.13 1pf8 h LYS 89 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1pf8 h LYS 89 Cb 0.67 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1pf8 h LYS 89 CO 0.01 0.48 -0.39 0.35 -2.27 0.00 0.00 179.45 177.63 1pf8 h PHE 90 N 0.75 0.70 -0.51 1.91 3.04 -1.53 -1.34 116.94 119.97 1pf8 h PHE 90 Ca 0.25 -0.27 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1pf8 h PHE 90 Cb 0.07 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1pf8 h PHE 90 CO -0.00 1.02 0.17 0.52 -2.02 0.00 0.00 178.31 177.99 1pf8 h MET 91 N 0.19 0.78 -0.71 1.11 2.86 -0.56 -2.03 114.93 116.58 1pf8 h MET 91 Ca -0.00 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1pf8 h MET 91 Cb 1.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1pf8 h MET 91 CO 0.09 0.72 0.29 -0.44 1.06 0.00 0.00 176.91 178.62 1pf8 h ASP 92 N 0.69 0.97 0.00 1.22 3.45 -1.02 -0.54 116.42 121.19 1pf8 h ASP 92 Ca 0.16 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pf8 h ASP 92 Cb 0.26 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1pf8 h ASP 92 CO -0.01 0.88 0.00 0.00 -1.57 0.00 0.00 179.24 178.54 1pf8 n ALA 93 N -2.40 2.39 -0.21 3.45 0.00 -0.51 -2.48 120.51 120.76 1pf8 n ALA 93 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pf8 n ALA 93 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1pf8 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pf8 n SER 94 N -0.88 1.27 0.27 0.00 7.64 -0.36 -4.73 113.62 116.82 1pf8 n SER 94 Ca 0.14 -1.48 0.13 0.00 1.01 0.00 0.00 58.87 58.68 1pf8 n SER 94 Cb 0.07 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.01 1pf8 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pf8 h ALA 95 N 0.00 1.28 0.02 -0.43 0.00 -0.84 1.15 119.26 120.45 1pf8 h ALA 95 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1pf8 h ALA 95 Cb 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pf8 h ALA 95 CO 0.00 0.14 -0.62 1.25 0.00 0.00 0.00 179.25 180.01 1pf8 h LEU 96 N 0.00 0.51 0.00 0.00 5.85 -1.85 -3.40 115.31 116.42 1pf8 h LEU 96 Ca -0.00 -0.79 -0.41 0.00 0.84 0.00 0.00 57.88 57.52 1pf8 h LEU 96 Cb 0.32 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1pf8 h LEU 96 CO 0.01 1.24 -2.41 0.35 -0.34 0.00 0.00 178.44 177.29 1pf8 n THR 97 N -4.21 1.40 0.00 1.05 -2.24 -1.11 -5.13 114.28 104.03 1pf8 n THR 97 Ca -0.11 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1pf8 n THR 97 Cb 0.69 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1pf8 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pf8 n GLY 98 N 1.73 2.27 3.69 3.38 0.00 0.40 -4.97 105.19 111.68 1pf8 n GLY 98 Ca -0.48 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1pf8 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pf8 s ILE 99 N -0.50 3.20 0.49 -0.61 1.01 -1.26 -4.94 121.20 118.59 1pf8 s ILE 99 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 60.65 61.03 1pf8 s ILE 99 Cb 0.00 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 1pf8 s ILE 99 CO 0.00 -0.01 1.04 -2.65 0.00 0.00 0.00 174.94 173.32 1pf8 n PRO 100 N 5.74 1.30 -0.33 2.79 -0.02 -1.26 -4.71 135.00 138.52 1pf8 n PRO 100 Ca 0.16 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.14 1pf8 n PRO 100 Cb 0.41 -2.15 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 1pf8 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pf8 h LEU 101 N 1.27 0.86 -1.88 2.45 6.46 -1.98 -0.13 115.31 122.35 1pf8 h LEU 101 Ca -0.47 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1pf8 h LEU 101 Cb 1.34 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1pf8 h LEU 101 CO 0.55 0.53 0.13 -0.65 -0.62 0.00 0.00 178.44 178.38 1pf8 h PRO 102 N 0.98 0.15 0.10 5.25 0.11 -1.98 0.19 132.00 136.80 1pf8 h PRO 102 Ca 0.41 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.24 1pf8 h PRO 102 Cb 0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1pf8 h PRO 102 CO -0.20 0.10 -1.30 1.25 -0.21 0.00 0.00 178.00 177.64 1pf8 h LEU 103 N 0.16 0.32 -0.54 2.35 5.85 -1.59 -1.89 115.31 119.98 1pf8 h LEU 103 Ca 0.08 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 1pf8 h LEU 103 Cb 0.13 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1pf8 h LEU 103 CO -0.01 1.30 -0.20 0.40 -0.34 0.00 0.00 178.44 179.59 1pf8 h ILE 104 N 0.06 1.27 -0.26 4.05 2.04 -0.20 -1.77 117.51 122.69 1pf8 h ILE 104 Ca -0.15 -1.35 -0.18 0.00 1.00 0.00 0.00 64.86 64.18 1pf8 h ILE 104 Cb 1.95 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1pf8 h ILE 104 CO 0.17 0.47 -0.54 0.50 0.00 0.00 0.00 178.15 178.75 1pf8 h LYS 105 N 0.85 0.78 -0.39 2.37 3.64 -0.72 -1.51 116.57 121.59 1pf8 h LYS 105 Ca 0.11 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1pf8 h LYS 105 Cb 0.77 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1pf8 h LYS 105 CO 0.06 1.12 0.19 1.03 -2.27 0.00 0.00 179.45 179.58 1pf8 h SER 106 N 0.60 0.51 -0.25 4.20 0.87 -1.26 -1.88 113.55 116.34 1pf8 h SER 106 Ca 0.01 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1pf8 h SER 106 Cb 1.13 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1pf8 h SER 106 CO 0.11 0.49 0.15 1.88 -0.53 0.00 0.00 176.83 178.93 1pf8 h TYR 107 N 0.49 0.33 -0.64 2.24 0.05 -1.19 -2.22 116.97 116.03 1pf8 h TYR 107 Ca 0.13 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 1pf8 h TYR 107 Cb 0.12 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1pf8 h TYR 107 CO -0.01 0.26 0.24 1.25 -1.05 0.00 0.00 178.16 178.84 1pf8 h LEU 108 N 0.30 0.87 -0.40 3.88 5.85 -1.17 -1.16 115.31 123.48 1pf8 h LEU 108 Ca 0.09 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1pf8 h LEU 108 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1pf8 h LEU 108 CO -0.02 0.79 0.16 0.15 -0.34 0.00 0.00 178.44 179.18 1pf8 h PHE 109 N 0.93 0.62 -0.03 1.25 -0.00 -1.11 -0.71 116.94 117.89 1pf8 h PHE 109 Ca 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.97 58.13 1pf8 h PHE 109 Cb 0.20 -0.18 -0.00 0.00 -0.00 0.00 0.00 35.95 35.97 1pf8 h PHE 109 CO 0.01 0.55 -0.01 1.96 -0.00 0.00 0.00 178.31 180.82 1pf8 h GLN 110 N 0.51 0.05 -0.78 1.11 4.20 -1.18 -1.27 115.11 117.75 1pf8 h GLN 110 Ca 0.13 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.93 1pf8 h GLN 110 Cb 0.19 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 1pf8 h GLN 110 CO -0.01 0.41 0.41 -0.07 -0.67 0.00 0.00 178.83 178.90 1pf8 h LEU 111 N -0.32 0.54 -1.33 1.46 4.07 -1.17 0.45 115.31 119.01 1pf8 h LEU 111 Ca 0.01 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1pf8 h LEU 111 Cb 0.40 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1pf8 h LEU 111 CO 0.00 0.29 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.26 1pf8 h LEU 112 N 0.67 0.00 -0.03 1.67 3.38 -1.01 -0.12 115.31 119.87 1pf8 h LEU 112 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1pf8 h LEU 112 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pf8 h LEU 112 CO -0.29 0.32 -0.11 1.56 0.09 0.00 0.00 178.44 180.02 1pf8 h GLN 113 N 0.00 0.13 -0.53 1.13 4.20 0.24 0.08 115.11 120.35 1pf8 h GLN 113 Ca -0.00 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1pf8 h GLN 113 Cb 0.63 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1pf8 h GLN 113 CO 0.04 0.74 -0.02 0.78 -0.67 0.00 0.00 178.83 179.71 1pf8 h GLY 114 N -0.46 1.00 1.13 3.46 0.00 -1.00 -0.32 103.07 106.88 1pf8 h GLY 114 Ca -0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 1pf8 h GLY 114 CO 0.02 0.66 -0.13 -2.00 0.00 0.00 0.00 176.54 175.09 1pf8 h LEU 115 N 0.85 1.02 -0.73 3.11 5.85 -1.07 -2.07 115.31 122.27 1pf8 h LEU 115 Ca 0.15 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1pf8 h LEU 115 Cb 0.53 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1pf8 h LEU 115 CO 0.03 1.14 0.27 0.00 -0.34 0.00 0.00 178.44 179.54 1pf8 h ALA 116 N 0.94 0.95 0.16 1.25 0.00 -0.66 -2.08 119.26 119.81 1pf8 h ALA 116 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pf8 h ALA 116 Cb 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pf8 h ALA 116 CO 0.05 0.59 -0.08 0.35 0.00 0.00 0.00 179.25 180.16 1pf8 h PHE 117 N 1.05 -0.22 -0.06 0.00 3.04 -0.71 -2.36 116.94 117.68 1pf8 h PHE 117 Ca 0.24 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1pf8 h PHE 117 Cb 0.24 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1pf8 h PHE 117 CO 0.02 -0.13 0.16 0.00 -2.02 0.00 0.00 178.31 176.34 1pf8 h HIS 119 N 0.00 1.06 0.00 0.00 3.86 -1.23 -0.56 115.15 118.28 1pf8 h HIS 119 Ca 0.03 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1pf8 h HIS 119 Cb 0.36 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1pf8 h HIS 119 CO 0.00 1.23 0.00 -1.13 0.86 0.00 0.00 177.93 178.89 1pf8 n SER 120 N -3.98 0.00 -0.55 2.45 3.41 -0.31 -0.77 113.62 113.88 1pf8 n SER 120 Ca -0.05 0.10 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 1pf8 n SER 120 Cb 0.67 -0.26 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 1pf8 n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pf8 n HIS 121 N -1.26 0.51 -3.37 7.33 -0.00 -1.08 -4.97 115.22 112.38 1pf8 n HIS 121 Ca 0.05 -0.74 -0.24 0.00 -0.00 0.00 0.00 57.72 56.79 1pf8 n HIS 121 Cb 0.08 -0.17 0.04 0.00 -0.00 0.00 0.00 29.99 29.94 1pf8 n HIS 121 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1pf8 n ARG 122 N -0.38 -5.63 -4.69 -0.41 1.74 0.05 -4.99 116.66 102.36 1pf8 n ARG 122 Ca 0.15 0.78 -0.33 0.00 -0.77 0.00 0.00 57.85 57.67 1pf8 n ARG 122 Cb 0.62 -5.68 -0.15 0.00 -1.02 0.00 0.00 32.46 26.23 1pf8 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pf8 s VAL 123 N -3.20 2.90 0.36 1.55 1.01 -0.24 -5.03 120.40 117.75 1pf8 s VAL 123 Ca 0.45 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1pf8 s VAL 123 Cb -0.21 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1pf8 s VAL 123 CO 0.56 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.53 1pf8 s LEU 124 N 0.53 3.14 -0.26 3.92 1.43 -1.26 -3.64 118.68 122.54 1pf8 s LEU 124 Ca -0.09 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 1pf8 s LEU 124 Cb -0.16 -1.54 -0.13 0.00 0.03 0.00 0.00 46.19 44.39 1pf8 s LEU 124 CO 0.04 -0.34 -0.30 1.57 0.23 0.00 0.00 176.35 177.55 1pf8 n HIS 125 N -1.11 0.00 0.00 0.29 -0.00 -1.26 -4.64 115.22 108.50 1pf8 n HIS 125 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1pf8 n HIS 125 Cb 0.62 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 1pf8 n HIS 125 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1pf8 n ARG 126 N -3.88 0.00 -2.76 1.57 0.00 -1.26 -1.86 116.66 108.47 1pf8 n ARG 126 Ca -0.49 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.15 1pf8 n ARG 126 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 32.46 33.22 1pf8 n ARG 126 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1pf8 n ASP 127 N 0.93 3.19 -4.74 6.15 4.64 -1.26 -4.96 116.55 120.50 1pf8 n ASP 127 Ca 0.00 -3.34 -0.41 0.00 -1.38 0.00 0.00 54.79 49.65 1pf8 n ASP 127 Cb 0.00 -0.53 -0.02 0.00 -1.04 0.00 0.00 41.12 39.53 1pf8 n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1pf8 s LEU 128 N -3.23 4.38 -0.14 -2.67 2.01 -1.26 -4.94 118.68 112.83 1pf8 s LEU 128 Ca 0.42 2.70 -0.30 0.00 0.01 0.00 0.00 54.13 56.95 1pf8 s LEU 128 Cb 0.38 -3.62 0.12 0.00 0.01 0.00 0.00 46.19 43.07 1pf8 s LEU 128 CO -0.10 -0.73 0.95 -1.59 1.01 0.00 0.00 176.35 175.88 1pf8 s LYS 129 N -0.34 0.67 0.51 1.70 -2.85 -1.26 -4.77 119.74 113.40 1pf8 s LYS 129 Ca 0.60 0.15 0.29 0.00 -1.00 0.00 0.00 55.97 56.01 1pf8 s LYS 129 Cb -0.43 0.32 1.39 0.00 -2.06 0.00 0.00 37.83 37.05 1pf8 s LYS 129 CO 0.43 -0.21 1.87 -1.00 0.10 0.00 0.00 175.35 176.54 1pf8 h PRO 130 N 2.61 0.10 0.00 1.78 0.13 -1.94 0.12 132.00 134.80 1pf8 h PRO 130 Ca -0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1pf8 h PRO 130 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pf8 h PRO 130 CO 0.32 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 1pf8 n GLN 131 N -4.33 0.17 0.00 0.86 0.00 -1.26 -1.63 117.38 111.18 1pf8 n GLN 131 Ca 0.20 0.18 0.13 0.00 0.00 0.00 0.00 57.00 57.51 1pf8 n GLN 131 Cb 0.94 -1.71 0.26 0.00 0.00 0.00 0.00 30.24 29.73 1pf8 n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1pf8 n ASN 132 N -2.01 2.25 -4.40 2.61 3.02 0.42 -4.80 115.26 112.35 1pf8 n ASN 132 Ca 0.05 -1.71 -0.36 0.00 -0.03 0.00 0.00 54.58 52.54 1pf8 n ASN 132 Cb 0.37 0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1pf8 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pf8 s LEU 133 N -2.07 3.23 -0.16 3.41 1.43 -1.10 -0.05 118.68 123.37 1pf8 s LEU 133 Ca 0.31 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1pf8 s LEU 133 Cb 0.20 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1pf8 s LEU 133 CO 0.35 -0.02 -0.01 -0.76 0.23 0.00 0.00 176.35 176.14 1pf8 s LEU 134 N 1.48 3.41 0.18 1.79 1.43 -0.07 -0.32 118.68 126.58 1pf8 s LEU 134 Ca 0.06 -0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1pf8 s LEU 134 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1pf8 s LEU 134 CO 0.01 0.18 -0.15 0.27 0.23 0.00 0.00 176.35 176.89 1pf8 s ILE 135 N 0.28 2.89 0.43 -0.59 -4.36 0.27 0.11 121.20 120.22 1pf8 s ILE 135 Ca -0.01 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1pf8 s ILE 135 Cb -0.14 -2.41 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 1pf8 s ILE 135 CO 0.02 -0.09 0.03 0.54 0.24 0.00 0.00 174.94 175.68 1pf8 s ASN 136 N -2.71 3.61 0.50 4.36 2.20 -0.93 -3.03 114.94 118.94 1pf8 s ASN 136 Ca 0.23 -1.48 0.25 0.00 -0.94 0.00 0.00 52.86 50.91 1pf8 s ASN 136 Cb -0.09 0.01 1.33 0.00 -2.00 0.00 0.00 41.25 40.50 1pf8 s ASN 136 CO 0.13 -0.64 2.04 0.71 -2.94 0.00 0.00 177.10 176.40 1pf8 h THR 137 N 1.70 0.68 0.00 0.54 1.35 -1.93 -2.81 112.91 112.45 1pf8 h THR 137 Ca -0.43 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1pf8 h THR 137 Cb 1.27 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1pf8 h THR 137 CO 0.75 0.14 0.00 -0.62 -0.25 0.00 0.00 175.52 175.54 1pf8 n GLU 138 N -3.75 0.95 -0.58 4.72 1.02 -1.26 -4.35 120.64 117.39 1pf8 n GLU 138 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1pf8 n GLU 138 Cb 0.26 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1pf8 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pf8 n GLY 139 N 0.79 0.65 3.88 0.62 0.00 -1.06 -4.77 105.19 105.30 1pf8 n GLY 139 Ca 0.17 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1pf8 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf8 s ALA 140 N -2.00 3.75 -0.04 4.61 0.00 -1.26 -4.85 121.76 121.97 1pf8 s ALA 140 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1pf8 s ALA 140 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1pf8 s ALA 140 CO 0.00 0.21 0.11 -1.50 0.00 0.00 0.00 175.76 174.59 1pf8 s ILE 141 N -2.10 -0.00 0.13 0.00 2.07 -1.26 -2.18 121.20 117.85 1pf8 s ILE 141 Ca 0.35 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.65 1pf8 s ILE 141 Cb -0.08 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1pf8 s ILE 141 CO 0.27 0.00 -0.13 -0.54 -1.91 0.00 0.00 174.94 172.64 1pf8 s LYS 142 N 0.13 1.02 -0.03 3.50 1.02 0.12 -4.62 119.74 120.87 1pf8 s LYS 142 Ca -0.01 -1.29 -0.19 0.00 0.02 0.00 0.00 55.97 54.51 1pf8 s LYS 142 Cb -0.01 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.45 1pf8 s LYS 142 CO -0.00 0.14 0.55 -0.51 -0.92 0.00 0.00 175.35 174.60 1pf8 s LEU 143 N -2.64 4.39 0.05 3.17 1.43 0.18 -0.89 118.68 124.37 1pf8 s LEU 143 Ca 0.11 1.06 0.05 0.00 -1.03 0.00 0.00 54.13 54.31 1pf8 s LEU 143 Cb -0.03 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1pf8 s LEU 143 CO 0.02 0.10 -0.15 0.00 0.23 0.00 0.00 176.35 176.56 1pf8 s ALA 144 N -0.09 1.23 -0.64 4.21 0.00 0.93 -1.44 121.76 125.95 1pf8 s ALA 144 Ca 0.29 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1pf8 s ALA 144 Cb -0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1pf8 s ALA 144 CO 0.15 0.23 0.61 -3.47 0.00 0.00 0.00 175.76 173.27 1pf8 n ASP 145 N 1.75 -7.03 -4.64 0.00 2.03 -1.26 -4.79 116.55 102.61 1pf8 n ASP 145 Ca -0.19 -0.06 -0.43 0.00 0.52 0.00 0.00 54.79 54.64 1pf8 n ASP 145 Cb 0.54 -4.74 -0.03 0.00 -0.72 0.00 0.00 41.12 36.18 1pf8 n ASP 145 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pf8 s PHE 146 N -3.00 2.04 0.61 -0.67 0.40 -1.26 -4.92 117.98 111.18 1pf8 s PHE 146 Ca 0.00 0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 56.62 1pf8 s PHE 146 Cb -0.00 -3.96 -0.03 0.00 0.51 0.00 0.00 43.02 39.55 1pf8 s PHE 146 CO 0.65 -3.20 1.12 0.20 0.70 0.00 0.00 175.22 174.69 1pf8 s GLY 147 N 4.14 2.37 0.69 4.36 0.00 -0.78 -5.03 107.32 113.07 1pf8 s GLY 147 Ca 0.73 0.68 -0.06 0.00 0.00 0.00 0.00 44.72 46.06 1pf8 s GLY 147 CO 0.29 1.03 1.00 1.08 0.00 0.00 0.00 173.10 176.50 1pf8 s LEU 148 N -4.39 2.88 0.58 0.66 1.43 -1.26 -4.73 118.68 113.84 1pf8 s LEU 148 Ca 0.70 0.49 0.31 0.00 -1.03 0.00 0.00 54.13 54.59 1pf8 s LEU 148 Cb -0.22 -3.17 1.80 0.00 0.03 0.00 0.00 46.19 44.63 1pf8 s LEU 148 CO 0.35 -1.52 2.22 0.00 0.23 0.00 0.00 176.35 177.63 1pf8 h ALA 149 N -0.54 1.41 -1.56 4.21 0.00 -1.96 -3.38 119.26 117.44 1pf8 h ALA 149 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pf8 h ALA 149 Cb 1.31 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 1pf8 h ALA 149 CO 0.60 0.04 -0.32 0.50 0.00 0.00 0.00 179.25 180.07 1pf8 s ARG 150 N -4.46 0.48 1.11 0.00 3.52 -1.26 -5.17 118.95 113.17 1pf8 s ARG 150 Ca -0.04 0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 56.34 1pf8 s ARG 150 Cb 0.14 0.28 0.24 0.00 -1.56 0.00 0.00 34.95 34.05 1pf8 s ARG 150 CO 0.54 -0.53 1.08 0.00 -0.81 0.00 0.00 175.30 175.59 1pf8 s ALA 151 N 2.75 0.58 0.27 6.12 0.00 -1.26 -5.04 121.76 125.17 1pf8 s ALA 151 Ca 0.12 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1pf8 s ALA 151 Cb -0.14 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1pf8 s ALA 151 CO -0.18 -3.30 0.50 1.97 0.00 0.00 0.00 175.76 174.75 1pf8 n PHE 152 N -4.53 -1.75 0.00 0.00 -1.74 -1.26 -5.10 117.46 103.08 1pf8 n PHE 152 Ca 0.08 -1.40 0.00 0.00 -0.56 0.00 0.00 57.45 55.57 1pf8 n PHE 152 Cb 0.58 0.58 0.00 0.00 1.52 0.00 0.00 39.48 42.16 1pf8 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pf8 n GLY 153 N -0.38 0.92 2.88 4.97 0.00 -1.26 -4.90 105.19 107.41 1pf8 n GLY 153 Ca -0.04 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 1pf8 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pf8 s VAL 154 N 0.00 -0.11 0.83 1.61 0.11 -1.14 -3.87 120.40 117.82 1pf8 s VAL 154 Ca 0.00 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 1pf8 s VAL 154 Cb 0.00 -0.24 0.10 0.00 -1.53 0.00 0.00 36.38 34.71 1pf8 s VAL 154 CO 0.00 0.10 1.17 -2.84 -3.33 0.00 0.00 175.10 170.20 1pf8 s PRO 155 N 1.52 1.56 -0.10 1.54 0.02 -1.26 -4.78 135.00 133.51 1pf8 s PRO 155 Ca -0.05 1.61 -0.26 0.00 0.02 0.00 0.00 61.00 62.32 1pf8 s PRO 155 Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1pf8 s PRO 155 CO -0.06 -2.24 0.85 0.08 -0.33 0.00 0.00 177.00 175.30 1pf8 s VAL 156 N -2.39 4.91 -0.37 3.83 1.01 -1.26 -4.96 120.40 121.17 1pf8 s VAL 156 Ca 0.70 1.72 0.23 0.00 0.00 0.00 0.00 61.98 64.62 1pf8 s VAL 156 Cb -0.25 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 1pf8 s VAL 156 CO 0.53 0.11 0.94 -2.11 0.00 0.00 0.00 175.10 174.56 1pf8 n ARG 157 N 4.55 0.47 -0.07 2.72 1.85 -1.26 -1.19 116.66 123.72 1pf8 n ARG 157 Ca 0.04 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.69 1pf8 n ARG 157 Cb 0.50 -1.66 -0.12 0.00 -1.05 0.00 0.00 32.46 30.12 1pf8 n ARG 157 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1pf8 h THR 158 N 0.00 1.14 0.00 8.89 2.02 -1.96 -3.34 112.91 119.66 1pf8 h THR 158 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1pf8 h THR 158 Cb 0.87 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1pf8 h THR 158 CO 0.00 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.35 1pf8 n TYR 159 N -4.36 0.64 -0.69 3.16 9.36 -1.26 -4.88 117.16 119.12 1pf8 n TYR 159 Ca -0.26 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1pf8 n TYR 159 Cb 0.68 -0.98 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 1pf8 n TYR 159 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1pf8 n THR 160 N -2.13 -0.85 -3.59 2.97 -2.24 -1.25 -5.07 114.28 102.12 1pf8 n THR 160 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1pf8 n THR 160 Cb 0.10 -1.80 -0.02 0.00 -2.10 0.00 0.00 70.33 66.51 1pf8 n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pf8 n HIS 161 N -0.26 -2.67 -0.04 4.78 8.25 -0.33 -4.82 115.22 120.13 1pf8 n HIS 161 Ca 0.00 0.73 -0.01 0.00 -0.26 0.00 0.00 57.72 58.17 1pf8 n HIS 161 Cb 0.04 -1.17 -0.00 0.00 1.12 0.00 0.00 29.99 29.97 1pf8 n HIS 161 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1pf8 h GLU 162 N 0.00 0.00 -6.28 -0.41 4.11 -1.95 -3.39 114.58 106.67 1pf8 h GLU 162 Ca 0.01 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.88 1pf8 h GLU 162 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1pf8 h GLU 162 CO 0.00 0.00 0.98 0.14 0.07 0.00 0.00 179.01 180.21 1pf8 s VAL 163 N -1.56 4.09 0.00 -1.06 -7.23 -1.26 -4.72 120.40 108.65 1pf8 s VAL 163 Ca -0.04 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 1pf8 s VAL 163 Cb 0.01 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1pf8 s VAL 163 CO 0.06 -0.33 0.00 0.52 -0.31 0.00 0.00 175.10 175.04 1pf8 n VAL 164 N 5.97 0.00 -2.85 1.32 0.31 -1.26 -5.07 118.33 116.75 1pf8 n VAL 164 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 1pf8 n VAL 164 Cb 0.46 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.35 1pf8 n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1pf8 s THR 165 N 0.23 4.71 -0.21 2.52 -1.32 -1.26 -4.91 115.64 115.39 1pf8 s THR 165 Ca 0.00 1.35 0.12 0.00 -1.21 0.00 0.00 61.69 61.95 1pf8 s THR 165 Cb 0.00 -4.23 0.44 0.00 -1.51 0.00 0.00 72.50 67.19 1pf8 s THR 165 CO 0.00 -0.32 1.20 0.00 -2.21 0.00 0.00 174.62 173.29 1pf8 n LEU 166 N 6.41 3.10 0.06 9.08 -0.00 -1.26 -4.81 117.00 129.57 1pf8 n LEU 166 Ca 0.06 -3.92 -0.01 0.00 -0.00 0.00 0.00 56.01 52.14 1pf8 n LEU 166 Cb 0.48 -0.39 0.27 0.00 -0.00 0.00 0.00 43.42 43.78 1pf8 n LEU 166 CO 0.53 1.50 0.78 -0.50 -0.00 0.00 0.00 177.39 179.70 1pf8 h TRP 167 N 1.38 0.39 -0.43 1.47 4.06 -1.84 -3.09 115.95 117.89 1pf8 h TRP 167 Ca 0.07 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1pf8 h TRP 167 Cb 1.24 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 29.24 1pf8 h TRP 167 CO 0.72 0.56 0.06 0.66 -3.56 0.00 0.00 178.44 176.88 1pf8 n TYR 168 N -4.16 1.45 -2.76 0.49 4.02 -1.26 -4.63 117.16 110.31 1pf8 n TYR 168 Ca -0.00 -1.10 -0.42 0.00 -0.01 0.00 0.00 57.90 56.37 1pf8 n TYR 168 Cb 0.36 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 1pf8 n TYR 168 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1pf8 s ARG 169 N -2.96 4.56 0.54 -0.72 3.52 -1.17 -3.89 118.95 118.84 1pf8 s ARG 169 Ca 0.47 1.35 -0.21 0.00 -0.13 0.00 0.00 55.73 57.21 1pf8 s ARG 169 Cb 0.39 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1pf8 s ARG 169 CO 0.09 0.00 1.25 0.00 -0.81 0.00 0.00 175.30 175.83 1pf8 s ALA 170 N 0.84 2.74 0.51 6.12 0.00 -1.26 -4.89 121.76 125.81 1pf8 s ALA 170 Ca 0.49 1.10 0.15 0.00 0.00 0.00 0.00 51.96 53.70 1pf8 s ALA 170 Cb -0.21 -3.47 1.24 0.00 0.00 0.00 0.00 23.12 20.68 1pf8 s ALA 170 CO 0.27 -1.10 2.14 -1.00 0.00 0.00 0.00 175.76 176.06 1pf8 h PRO 171 N 1.37 0.05 -0.29 0.00 0.13 -1.96 -1.95 132.00 129.36 1pf8 h PRO 171 Ca -0.50 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1pf8 h PRO 171 Cb 1.29 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1pf8 h PRO 171 CO 0.57 0.03 -0.15 1.05 -0.23 0.00 0.00 178.00 179.27 1pf8 h GLU 172 N 0.05 0.50 -0.14 0.86 9.09 -1.92 0.21 114.58 123.23 1pf8 h GLU 172 Ca 0.02 -0.15 -0.16 0.00 0.05 0.00 0.00 59.36 59.11 1pf8 h GLU 172 Cb 0.02 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 1pf8 h GLU 172 CO -0.00 0.64 -0.59 0.82 0.05 0.00 0.00 179.01 179.93 1pf8 h ILE 173 N 0.46 1.34 -0.15 -1.06 2.04 -1.62 0.18 117.51 118.69 1pf8 h ILE 173 Ca 0.08 -1.89 -0.15 0.00 1.00 0.00 0.00 64.86 63.90 1pf8 h ILE 173 Cb 0.53 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1pf8 h ILE 173 CO 0.03 0.58 -0.54 -0.07 0.00 0.00 0.00 178.15 178.15 1pf8 h LEU 174 N 0.35 0.50 -0.22 1.44 3.38 -0.99 -2.83 115.31 116.93 1pf8 h LEU 174 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pf8 h LEU 174 Cb 1.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1pf8 h LEU 174 CO 0.11 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.76 1pf8 n LEU 175 N -3.95 0.35 0.00 1.67 4.77 0.69 -4.89 117.00 115.64 1pf8 n LEU 175 Ca -0.03 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1pf8 n LEU 175 Cb 0.59 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1pf8 n LEU 175 CO 0.46 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1pf8 n GLY 176 N 0.99 0.95 3.63 -0.72 0.00 -1.00 -0.96 105.19 108.07 1pf8 n GLY 176 Ca 0.20 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1pf8 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf8 h LYS 178 N 9.78 0.00 -2.25 0.00 2.10 -1.94 -3.38 116.57 120.88 1pf8 h LYS 178 Ca -0.29 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.76 1pf8 h LYS 178 Cb 1.12 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.03 1pf8 h LYS 178 CO 1.01 0.00 -0.60 0.66 -2.00 0.00 0.00 179.45 178.53 1pf8 n TYR 179 N -2.88 3.87 -2.67 0.07 4.02 -1.26 -5.08 117.16 113.22 1pf8 n TYR 179 Ca 0.02 -4.05 -0.32 0.00 -0.01 0.00 0.00 57.90 53.54 1pf8 n TYR 179 Cb 0.53 -0.53 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1pf8 n TYR 179 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1pf8 s TYR 180 N -3.03 3.41 0.00 -0.72 1.13 -1.26 -5.09 117.35 111.79 1pf8 s TYR 180 Ca 0.45 1.41 0.00 0.00 -1.41 0.00 0.00 57.07 57.52 1pf8 s TYR 180 Cb 0.22 -2.72 0.00 0.00 -1.10 0.00 0.00 41.96 38.36 1pf8 s TYR 180 CO -0.08 -0.20 0.00 -1.13 -2.51 0.00 0.00 175.55 171.63 1pf8 n SER 181 N -1.13 0.17 0.16 -0.18 3.41 -1.26 -4.98 113.62 109.81 1pf8 n SER 181 Ca 0.06 -0.68 0.11 0.00 -0.26 0.00 0.00 58.87 58.09 1pf8 n SER 181 Cb 0.54 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.06 1pf8 n SER 181 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pf8 n THR 182 N -0.62 1.05 0.25 6.66 -2.24 -1.26 -2.39 114.28 115.73 1pf8 n THR 182 Ca 0.00 0.70 0.12 0.00 -2.27 0.00 0.00 64.05 62.59 1pf8 n THR 182 Cb 0.00 -1.70 0.66 0.00 -2.10 0.00 0.00 70.33 67.19 1pf8 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pf8 h ALA 183 N 2.02 1.25 -0.45 6.98 0.00 -1.93 -2.92 119.26 124.21 1pf8 h ALA 183 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1pf8 h ALA 183 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1pf8 h ALA 183 CO 0.00 0.19 0.04 -0.39 0.00 0.00 0.00 179.25 179.09 1pf8 h VAL 184 N 0.00 1.22 -0.18 0.00 -1.51 -1.86 -1.94 116.25 111.97 1pf8 h VAL 184 Ca -0.00 -0.87 -0.14 0.00 -1.23 0.00 0.00 66.70 64.47 1pf8 h VAL 184 Cb 0.42 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1pf8 h VAL 184 CO 0.02 0.31 -0.46 0.44 -1.23 0.00 0.00 177.57 176.65 1pf8 h ASP 185 N 0.67 0.49 -0.46 4.19 3.32 -1.74 -2.43 116.42 120.46 1pf8 h ASP 185 Ca 0.14 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1pf8 h ASP 185 Cb 0.36 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1pf8 h ASP 185 CO 0.01 0.88 -0.23 0.40 -1.72 0.00 0.00 179.24 178.58 1pf8 h ILE 186 N 0.37 1.27 0.46 0.35 1.08 -1.51 -0.44 117.51 119.09 1pf8 h ILE 186 Ca 0.02 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1pf8 h ILE 186 Cb 0.95 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1pf8 h ILE 186 CO 0.08 0.48 -0.22 -0.25 -0.69 0.00 0.00 178.15 177.55 1pf8 h TRP 187 N 0.81 -0.58 -0.69 1.37 2.91 -1.27 0.13 115.95 118.63 1pf8 h TRP 187 Ca 0.10 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.23 1pf8 h TRP 187 Cb 0.81 0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.57 1pf8 h TRP 187 CO 0.06 -0.35 0.26 0.77 -1.03 0.00 0.00 178.44 178.15 1pf8 h SER 188 N -0.64 0.24 -0.19 2.65 0.02 -1.37 0.82 113.55 115.08 1pf8 h SER 188 Ca -0.06 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1pf8 h SER 188 Cb 0.49 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1pf8 h SER 188 CO 0.10 0.11 -0.13 0.25 -1.14 0.00 0.00 176.83 176.02 1pf8 h LEU 189 N 0.42 0.56 -1.00 5.07 5.85 -0.79 -1.89 115.31 123.53 1pf8 h LEU 189 Ca 0.37 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1pf8 h LEU 189 Cb 0.52 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1pf8 h LEU 189 CO -0.37 0.73 0.09 1.23 -0.34 0.00 0.00 178.44 179.78 1pf8 h GLY 190 N 0.96 0.88 1.99 3.75 0.00 0.15 0.35 103.07 111.14 1pf8 h GLY 190 Ca 0.09 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1pf8 h GLY 190 CO 0.03 0.49 -0.49 0.00 0.00 0.00 0.00 176.54 176.57 1pf8 h ILE 192 N 0.01 1.37 -0.13 0.00 2.04 -0.74 -2.80 117.51 117.26 1pf8 h ILE 192 Ca -0.00 -2.61 0.02 0.00 1.00 0.00 0.00 64.86 63.27 1pf8 h ILE 192 Cb 0.87 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 1pf8 h ILE 192 CO 0.06 0.78 -0.02 0.15 0.00 0.00 0.00 178.15 179.12 1pf8 h PHE 193 N 0.21 -0.04 -0.15 1.37 -0.00 -0.74 -1.61 116.94 115.98 1pf8 h PHE 193 Ca -0.14 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 57.84 1pf8 h PHE 193 Cb 1.82 0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 37.81 1pf8 h PHE 193 CO 0.08 -0.04 0.08 0.00 -0.00 0.00 0.00 178.31 178.43 1pf8 h ALA 194 N 1.12 0.19 -0.90 2.41 0.00 -1.50 -2.79 119.26 117.79 1pf8 h ALA 194 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1pf8 h ALA 194 Cb 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1pf8 h ALA 194 CO -0.12 -0.27 0.59 1.49 0.00 0.00 0.00 179.25 180.93 1pf8 h GLU 195 N 0.13 1.03 -0.06 0.00 4.81 -1.31 -0.51 114.58 118.67 1pf8 h GLU 195 Ca 0.05 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1pf8 h GLU 195 Cb 0.08 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1pf8 h GLU 195 CO -0.01 0.68 -0.26 0.52 -0.73 0.00 0.00 179.01 179.22 1pf8 h MET 196 N 1.06 0.11 0.05 1.92 2.86 -1.06 0.14 114.93 120.00 1pf8 h MET 196 Ca 0.37 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.88 1pf8 h MET 196 Cb 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1pf8 h MET 196 CO -0.13 0.36 -0.51 0.28 1.06 0.00 0.00 176.91 177.98 1pf8 h VAL 197 N 0.10 1.54 0.00 -2.22 2.07 -1.08 -3.39 116.25 113.26 1pf8 h VAL 197 Ca 0.02 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1pf8 h VAL 197 Cb 0.51 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1pf8 h VAL 197 CO 0.04 0.61 -0.62 0.71 0.02 0.00 0.00 177.57 178.32 1pf8 h THR 198 N -0.78 0.00 -4.00 2.57 1.35 -1.16 -3.45 112.91 107.44 1pf8 h THR 198 Ca -0.11 -0.95 -0.23 0.00 -0.55 0.00 0.00 66.41 64.56 1pf8 h THR 198 Cb 1.27 1.63 0.09 0.00 -1.73 0.00 0.00 68.15 69.42 1pf8 h THR 198 CO 0.02 0.00 -0.42 0.54 -0.25 0.00 0.00 175.52 175.40 1pf8 n ARG 199 N -2.77 -4.67 -3.64 4.72 1.74 0.47 -5.01 116.66 107.50 1pf8 n ARG 199 Ca 0.02 0.51 -0.03 0.00 -0.77 0.00 0.00 57.85 57.57 1pf8 n ARG 199 Cb 0.53 -4.55 -0.07 0.00 -1.02 0.00 0.00 32.46 27.36 1pf8 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1pf8 s ARG 200 N -5.58 0.40 0.18 5.56 3.52 -1.20 -5.07 118.95 116.76 1pf8 s ARG 200 Ca 0.28 0.66 -0.33 0.00 -0.13 0.00 0.00 55.73 56.21 1pf8 s ARG 200 Cb -0.12 0.09 -0.15 0.00 -1.56 0.00 0.00 34.95 33.21 1pf8 s ARG 200 CO 0.44 -0.08 1.33 0.00 -0.81 0.00 0.00 175.30 176.19 1pf8 n ALA 201 N 3.54 0.20 0.19 6.12 0.00 -1.26 -4.31 120.51 124.98 1pf8 n ALA 201 Ca -0.18 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1pf8 n ALA 201 Cb 0.57 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 1pf8 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pf8 h LEU 202 N 4.20 -0.38 -6.97 0.00 6.46 -1.92 -3.39 115.31 113.31 1pf8 h LEU 202 Ca -0.45 -0.08 -0.61 0.00 -0.12 0.00 0.00 57.88 56.62 1pf8 h LEU 202 Cb 1.30 0.10 -0.40 0.00 -0.73 0.00 0.00 40.66 40.93 1pf8 h LEU 202 CO 0.76 -0.15 -0.72 -0.36 -0.62 0.00 0.00 178.44 177.35 1pf8 s PHE 203 N -5.49 2.44 -1.34 1.25 2.99 -1.26 -5.02 117.98 111.55 1pf8 s PHE 203 Ca -0.15 -2.76 -0.09 0.00 0.00 0.00 0.00 56.93 53.93 1pf8 s PHE 203 Cb 0.04 -2.09 0.12 0.00 0.00 0.00 0.00 43.02 41.09 1pf8 s PHE 203 CO 0.60 -0.72 2.12 -0.35 -0.00 0.00 0.00 175.22 176.88 1pf8 n PRO 204 N 2.95 3.79 -2.57 0.24 -0.04 -1.26 -4.61 135.00 133.50 1pf8 n PRO 204 Ca 0.14 -3.31 -0.36 0.00 -0.04 0.00 0.00 63.50 59.93 1pf8 n PRO 204 Cb 0.36 -2.88 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 1pf8 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1pf8 s GLY 205 N 1.07 2.70 -0.03 0.55 0.00 -1.26 -4.98 107.32 105.37 1pf8 s GLY 205 Ca 0.46 0.67 -0.15 0.00 0.00 0.00 0.00 44.72 45.70 1pf8 s GLY 205 CO -0.04 1.08 0.78 -0.55 0.00 0.00 0.00 173.10 174.38 1pf8 h ASP 206 N 2.43 0.63 -3.42 1.64 3.45 -1.95 -3.44 116.42 115.75 1pf8 h ASP 206 Ca -0.48 -0.92 -0.18 0.00 0.43 0.00 0.00 57.03 55.87 1pf8 h ASP 206 Cb 1.21 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.74 1pf8 h ASP 206 CO 0.62 1.68 -0.14 -1.54 -1.57 0.00 0.00 179.24 178.29 1pf8 n SER 207 N -3.78 1.80 0.15 6.45 3.41 -1.26 -4.95 113.62 115.43 1pf8 n SER 207 Ca -0.21 -1.65 -0.13 0.00 -0.26 0.00 0.00 58.87 56.62 1pf8 n SER 207 Cb 1.01 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 65.08 1pf8 n SER 207 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pf8 h GLU 208 N 0.00 -0.39 -0.61 4.33 3.07 -1.97 -0.06 114.58 118.95 1pf8 h GLU 208 Ca -0.11 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1pf8 h GLU 208 Cb 0.37 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1pf8 h GLU 208 CO 0.18 -0.06 0.39 0.97 -1.40 0.00 0.00 179.01 179.10 1pf8 h ILE 209 N -0.77 1.16 -0.05 3.13 6.09 -1.97 -0.87 117.51 124.23 1pf8 h ILE 209 Ca -0.04 -0.32 -0.18 0.00 -1.37 0.00 0.00 64.86 62.95 1pf8 h ILE 209 Cb 0.51 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1pf8 h ILE 209 CO 0.07 0.16 -0.74 -0.78 -3.07 0.00 0.00 178.15 173.79 1pf8 h ASP 210 N 0.83 0.36 -0.04 2.19 3.58 -1.95 -1.50 116.42 119.90 1pf8 h ASP 210 Ca 0.22 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1pf8 h ASP 210 Cb -0.07 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1pf8 h ASP 210 CO -0.05 0.98 0.01 1.56 -2.88 0.00 0.00 179.24 178.86 1pf8 h GLN 211 N 0.20 0.06 -0.60 0.28 1.08 -0.30 0.89 115.11 116.72 1pf8 h GLN 211 Ca -0.03 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1pf8 h GLN 211 Cb 1.31 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.70 1pf8 h GLN 211 CO 0.12 0.28 0.37 1.25 -0.95 0.00 0.00 178.83 179.90 1pf8 h LEU 212 N -0.16 0.71 -0.88 1.46 5.85 -1.16 -1.84 115.31 119.29 1pf8 h LEU 212 Ca 0.01 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1pf8 h LEU 212 Cb 0.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1pf8 h LEU 212 CO 0.00 0.55 -0.29 -0.26 -0.34 0.00 0.00 178.44 178.10 1pf8 h PHE 213 N 0.82 0.00 -0.02 1.25 0.05 -1.23 -0.57 116.94 117.24 1pf8 h PHE 213 Ca 0.22 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.88 1pf8 h PHE 213 Cb -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.89 1pf8 h PHE 213 CO -0.02 0.29 -0.59 -0.09 -0.18 0.00 0.00 178.31 177.72 1pf8 h ARG 214 N 0.00 0.08 0.24 1.51 9.65 -0.21 -0.90 114.38 124.75 1pf8 h ARG 214 Ca -0.00 -0.06 -0.32 0.00 -1.10 0.00 0.00 59.98 58.50 1pf8 h ARG 214 Cb 0.88 0.01 0.04 0.00 -1.39 0.00 0.00 29.97 29.50 1pf8 h ARG 214 CO 0.04 0.65 -1.40 0.82 2.80 0.00 0.00 179.97 182.87 1pf8 h ILE 215 N 0.06 1.29 0.01 1.20 2.04 -1.02 -3.31 117.51 117.79 1pf8 h ILE 215 Ca -0.01 -2.66 -0.00 0.00 1.00 0.00 0.00 64.86 63.19 1pf8 h ILE 215 Cb 1.06 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1pf8 h ILE 215 CO 0.08 0.80 -0.01 -0.26 0.00 0.00 0.00 178.15 178.76 1pf8 h PHE 216 N 0.07 -0.02 -0.56 1.37 0.05 -0.99 -0.58 116.94 116.28 1pf8 h PHE 216 Ca -0.25 -0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.70 1pf8 h PHE 216 Cb 2.09 0.01 -0.02 0.00 2.00 0.00 0.00 35.95 40.02 1pf8 h PHE 216 CO 0.14 0.07 0.40 0.00 -0.18 0.00 0.00 178.31 178.74 1pf8 h ARG 217 N -0.10 0.02 0.01 1.51 3.08 -1.30 0.86 114.38 118.46 1pf8 h ARG 217 Ca -0.00 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 1pf8 h ARG 217 Cb 0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1pf8 h ARG 217 CO 0.00 0.01 -1.41 2.41 -1.07 0.00 0.00 179.97 179.92 1pf8 n THR 218 N -4.38 1.56 0.63 2.04 -1.04 -1.10 -4.44 114.28 107.55 1pf8 n THR 218 Ca 0.10 -0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1pf8 n THR 218 Cb 0.62 -2.00 0.22 0.00 -1.82 0.00 0.00 70.33 67.34 1pf8 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pf8 n LEU 219 N -4.34 3.09 0.00 -4.42 4.77 -0.24 -1.46 117.00 114.39 1pf8 n LEU 219 Ca -0.34 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1pf8 n LEU 219 Cb 0.73 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1pf8 n LEU 219 CO 0.20 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1pf8 n GLY 220 N 1.42 -2.22 3.72 -0.72 0.00 0.30 -4.55 105.19 103.13 1pf8 n GLY 220 Ca 0.18 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1pf8 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pf8 s THR 221 N -3.31 3.71 0.49 2.61 2.01 -1.06 -4.58 115.64 115.51 1pf8 s THR 221 Ca 0.00 1.26 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 1pf8 s THR 221 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1pf8 s THR 221 CO 0.00 0.12 1.03 -2.16 -0.69 0.00 0.00 174.62 172.91 1pf8 s PRO 222 N 0.85 3.82 0.18 4.92 0.04 -1.26 -4.93 135.00 138.61 1pf8 s PRO 222 Ca 0.60 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1pf8 s PRO 222 Cb -0.32 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 1pf8 s PRO 222 CO 0.31 -0.41 0.21 -0.40 0.04 0.00 0.00 177.00 176.75 1pf8 n ASP 223 N -1.02 -0.57 0.10 6.66 3.85 -1.26 -4.93 116.55 119.38 1pf8 n ASP 223 Ca 0.09 -2.07 0.09 0.00 -0.71 0.00 0.00 54.79 52.19 1pf8 n ASP 223 Cb 0.53 1.14 0.42 0.00 -1.35 0.00 0.00 41.12 41.86 1pf8 n ASP 223 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1pf8 n GLU 224 N -0.32 0.12 -0.02 0.11 -0.58 -1.26 -0.62 120.64 118.08 1pf8 n GLU 224 Ca 0.02 0.47 -0.13 0.00 -0.42 0.00 0.00 57.16 57.11 1pf8 n GLU 224 Cb 0.31 -1.79 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 1pf8 n GLU 224 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pf8 h VAL 225 N 0.00 1.39 0.00 2.62 2.07 -2.00 -3.31 116.25 117.02 1pf8 h VAL 225 Ca 0.00 -1.52 -0.20 0.00 0.82 0.00 0.00 66.70 65.80 1pf8 h VAL 225 Cb 0.18 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1pf8 h VAL 225 CO 0.00 0.38 -1.84 1.33 0.02 0.00 0.00 177.57 177.45 1pf8 n VAL 226 N -4.79 1.03 -3.53 2.57 0.24 -1.15 -4.76 118.33 107.95 1pf8 n VAL 226 Ca -0.09 -0.71 -0.29 0.00 -2.04 0.00 0.00 64.34 61.22 1pf8 n VAL 226 Cb 0.32 -0.52 -0.12 0.00 -1.47 0.00 0.00 33.84 32.05 1pf8 n VAL 226 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1pf8 s TRP 227 N -2.89 1.28 -0.01 6.34 -0.11 0.21 -4.42 118.94 119.33 1pf8 s TRP 227 Ca -0.06 -2.10 -0.30 0.00 1.22 0.00 0.00 56.10 54.86 1pf8 s TRP 227 Cb 0.09 -1.24 -0.09 0.00 -1.50 0.00 0.00 33.47 30.73 1pf8 s TRP 227 CO 0.84 -0.80 2.00 -2.30 -4.62 0.00 0.00 176.95 172.07 1pf8 n PRO 228 N 3.48 2.67 0.00 5.86 -0.02 -1.25 -1.66 135.00 144.09 1pf8 n PRO 228 Ca 0.16 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 1pf8 n PRO 228 Cb 0.39 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 1pf8 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pf8 n GLY 229 N 4.72 0.52 0.30 -1.23 0.00 -1.26 -4.98 105.19 103.26 1pf8 n GLY 229 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1pf8 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pf8 h VAL 230 N 0.00 1.22 0.00 1.61 3.04 -1.61 -2.65 116.25 117.86 1pf8 h VAL 230 Ca 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1pf8 h VAL 230 Cb 0.00 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1pf8 h VAL 230 CO 0.00 0.25 0.00 0.71 -1.01 0.00 0.00 177.57 177.52 1pf8 h THR 231 N 1.00 0.00 -0.01 3.17 1.35 -1.91 -2.65 112.91 113.87 1pf8 h THR 231 Ca 0.26 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1pf8 h THR 231 Cb 0.04 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1pf8 h THR 231 CO -0.04 0.00 -0.30 -1.20 -0.25 0.00 0.00 175.52 173.73 1pf8 n SER 232 N -2.92 0.94 -4.77 5.36 7.64 -1.01 -4.83 113.62 114.02 1pf8 n SER 232 Ca 0.01 -0.79 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 1pf8 n SER 232 Cb 0.33 0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1pf8 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1pf8 s MET 233 N -2.59 4.16 0.29 1.43 -1.94 -1.00 -4.92 119.30 114.74 1pf8 s MET 233 Ca 0.22 2.42 0.17 0.00 -1.71 0.00 0.00 55.69 56.79 1pf8 s MET 233 Cb 0.19 -2.98 1.07 0.00 2.01 0.00 0.00 34.83 35.12 1pf8 s MET 233 CO 0.55 -0.43 1.24 -2.30 -0.01 0.00 0.00 175.02 174.07 1pf8 n PRO 234 N 0.52 -0.05 -0.03 2.03 -0.02 -1.24 -1.50 135.00 134.72 1pf8 n PRO 234 Ca 0.01 1.08 0.03 0.00 -2.02 0.00 0.00 63.50 62.60 1pf8 n PRO 234 Cb 0.40 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1pf8 n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pf8 n ASP 235 N -4.74 1.88 -4.77 2.55 10.43 -0.14 -4.98 116.55 116.78 1pf8 n ASP 235 Ca 0.30 -1.50 -0.35 0.00 2.57 0.00 0.00 54.79 55.81 1pf8 n ASP 235 Cb 1.03 -0.04 0.01 0.00 1.84 0.00 0.00 41.12 43.96 1pf8 n ASP 235 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1pf8 s TYR 236 N -0.71 2.62 -0.03 1.24 5.04 -0.56 -4.99 117.35 119.97 1pf8 s TYR 236 Ca 0.10 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1pf8 s TYR 236 Cb 0.06 -3.31 0.03 0.00 0.35 0.00 0.00 41.96 39.10 1pf8 s TYR 236 CO 0.09 -1.68 0.01 0.15 -1.34 0.00 0.00 175.55 172.79 1pf8 s LYS 237 N -3.37 0.18 0.57 4.97 1.02 -1.26 -4.96 119.74 116.90 1pf8 s LYS 237 Ca 0.73 0.12 0.28 0.00 0.02 0.00 0.00 55.97 57.12 1pf8 s LYS 237 Cb -0.24 -0.41 1.51 0.00 -0.52 0.00 0.00 37.83 38.16 1pf8 s LYS 237 CO 0.29 -0.16 1.98 -1.35 -0.92 0.00 0.00 175.35 175.19 1pf8 h PRO 238 N 7.33 0.00 0.00 -1.68 0.11 -1.96 -1.22 132.00 134.58 1pf8 h PRO 238 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pf8 h PRO 238 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pf8 h PRO 238 CO 0.46 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 1pf8 n SER 239 N -3.92 0.00 -4.69 -2.05 3.41 -1.26 -4.86 113.62 100.25 1pf8 n SER 239 Ca 0.07 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 1pf8 n SER 239 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1pf8 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1pf8 s PHE 240 N -2.00 2.59 0.36 7.33 0.08 -0.46 -4.93 117.98 120.94 1pf8 s PHE 240 Ca 0.07 0.44 -0.27 0.00 0.12 0.00 0.00 56.93 57.29 1pf8 s PHE 240 Cb 0.03 -3.92 -0.12 0.00 -0.57 0.00 0.00 43.02 38.45 1pf8 s PHE 240 CO 0.05 -3.60 1.17 -2.30 -0.10 0.00 0.00 175.22 170.45 1pf8 n PRO 241 N 5.28 1.78 -3.44 0.24 -0.02 -1.26 -4.92 135.00 132.66 1pf8 n PRO 241 Ca 0.15 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 1pf8 n PRO 241 Cb 0.41 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 1pf8 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pf8 s LYS 242 N -1.89 2.75 0.32 -0.52 1.02 -1.26 -4.82 119.74 115.33 1pf8 s LYS 242 Ca 0.58 -1.67 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 1pf8 s LYS 242 Cb -0.58 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 32.60 1pf8 s LYS 242 CO 0.60 -1.21 0.54 -1.58 -0.92 0.00 0.00 175.35 172.78 1pf8 s TRP 243 N 1.49 3.50 0.36 3.18 0.51 -1.26 -4.94 118.94 121.77 1pf8 s TRP 243 Ca 0.04 0.45 -0.14 0.00 -2.12 0.00 0.00 56.10 54.33 1pf8 s TRP 243 Cb -0.27 -1.96 -0.08 0.00 -0.81 0.00 0.00 33.47 30.34 1pf8 s TRP 243 CO 0.02 0.15 0.76 0.00 -0.51 0.00 0.00 176.95 177.37 1pf8 s ALA 244 N -2.22 3.31 0.14 0.98 0.00 -1.26 -2.56 121.76 120.14 1pf8 s ALA 244 Ca 0.41 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 1pf8 s ALA 244 Cb -0.10 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 1pf8 s ALA 244 CO 0.34 0.21 0.83 0.50 0.00 0.00 0.00 175.76 177.65 1pf8 s ARG 245 N -3.26 4.63 0.11 0.00 3.52 -1.26 -3.64 118.95 119.05 1pf8 s ARG 245 Ca 0.54 1.25 0.02 0.00 -0.13 0.00 0.00 55.73 57.40 1pf8 s ARG 245 Cb -0.10 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1pf8 s ARG 245 CO 0.21 0.43 0.22 -0.65 -0.81 0.00 0.00 175.30 174.71 1pf8 s GLN 246 N -0.70 3.32 0.34 5.12 -1.52 -0.54 -4.91 119.66 120.77 1pf8 s GLN 246 Ca 0.39 -0.59 -0.28 0.00 -1.95 0.00 0.00 55.36 52.94 1pf8 s GLN 246 Cb -0.23 -2.93 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 1pf8 s GLN 246 CO 0.27 0.55 1.17 -0.51 -0.25 0.00 0.00 175.29 176.52 1pf8 s ASP 247 N -2.90 6.88 0.15 5.90 -0.00 -1.26 -4.88 116.67 120.56 1pf8 s ASP 247 Ca 0.34 2.39 0.20 0.00 -0.00 0.00 0.00 52.55 55.47 1pf8 s ASP 247 Cb -0.12 -2.63 0.84 0.00 -0.00 0.00 0.00 42.92 41.02 1pf8 s ASP 247 CO 0.27 -0.43 1.62 0.49 -0.00 0.00 0.00 175.17 177.12 1pf8 n PHE 248 N 0.67 0.49 0.02 4.23 0.99 -1.26 -1.60 117.46 121.00 1pf8 n PHE 248 Ca 0.01 0.19 -0.07 0.00 -0.00 0.00 0.00 57.45 57.58 1pf8 n PHE 248 Cb 0.45 -0.81 0.11 0.00 -1.00 0.00 0.00 39.48 38.23 1pf8 n PHE 248 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1pf8 h SER 249 N 0.00 0.52 0.77 4.37 4.64 -1.92 0.66 113.55 122.60 1pf8 h SER 249 Ca 0.00 -0.25 -0.25 0.00 -0.47 0.00 0.00 61.79 60.82 1pf8 h SER 249 Cb 0.33 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1pf8 h SER 249 CO 0.00 0.91 -1.23 0.50 -0.87 0.00 0.00 176.83 176.13 1pf8 h LYS 250 N 0.38 0.08 0.06 4.77 1.63 -1.68 -3.29 116.57 118.52 1pf8 h LYS 250 Ca 0.02 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1pf8 h LYS 250 Cb 0.97 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1pf8 h LYS 250 CO 0.09 0.98 -0.03 0.28 -3.45 0.00 0.00 179.45 177.31 1pf8 h VAL 251 N 0.02 1.25 -1.62 2.00 2.07 -1.11 -3.41 116.25 115.45 1pf8 h VAL 251 Ca -0.11 -1.51 -0.56 0.00 0.82 0.00 0.00 66.70 65.34 1pf8 h VAL 251 Cb 1.88 2.18 -0.42 0.00 -1.52 0.00 0.00 31.29 33.41 1pf8 h VAL 251 CO 0.14 0.35 -0.78 1.33 0.02 0.00 0.00 177.57 178.63 1pf8 n VAL 252 N -4.80 2.26 -2.82 2.57 0.24 0.21 -5.01 118.33 110.98 1pf8 n VAL 252 Ca -0.08 -4.83 -0.32 0.00 -2.04 0.00 0.00 64.34 57.07 1pf8 n VAL 252 Cb 0.31 -1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 31.61 1pf8 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pf8 s PRO 253 N -3.44 3.93 -0.99 7.34 0.04 -1.24 -1.43 135.00 139.21 1pf8 s PRO 253 Ca 0.45 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 1pf8 s PRO 253 Cb 0.38 -2.32 0.33 0.00 0.04 0.00 0.00 34.50 32.93 1pf8 s PRO 253 CO -0.15 -0.04 1.83 -0.35 0.04 0.00 0.00 177.00 178.34 1pf8 n PRO 254 N -1.03 4.97 -2.50 0.56 -0.04 -1.26 -4.65 135.00 131.04 1pf8 n PRO 254 Ca 0.04 -4.50 -0.41 0.00 -0.04 0.00 0.00 63.50 58.59 1pf8 n PRO 254 Cb 0.54 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 1pf8 n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pf8 s LEU 255 N -4.27 4.46 1.10 1.53 0.20 -0.52 -5.02 118.68 116.17 1pf8 s LEU 255 Ca 0.41 2.06 -0.13 0.00 0.69 0.00 0.00 54.13 57.17 1pf8 s LEU 255 Cb 0.23 -3.60 0.25 0.00 -0.43 0.00 0.00 46.19 42.64 1pf8 s LEU 255 CO -0.18 -0.27 1.06 1.51 -0.29 0.00 0.00 176.35 178.18 1pf8 s ASP 256 N 0.15 1.63 0.35 3.68 1.47 -1.26 -4.66 116.67 118.02 1pf8 s ASP 256 Ca 0.51 1.28 0.06 0.00 1.18 0.00 0.00 52.55 55.57 1pf8 s ASP 256 Cb -0.29 -1.99 0.71 0.00 -0.34 0.00 0.00 42.92 41.01 1pf8 s ASP 256 CO 0.34 -3.76 1.92 -0.08 0.68 0.00 0.00 175.17 174.27 1pf8 h GLU 257 N -2.32 0.78 -0.58 2.11 4.57 -1.99 -1.21 114.58 115.94 1pf8 h GLU 257 Ca -0.58 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.53 1pf8 h GLU 257 Cb 1.34 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1pf8 h GLU 257 CO 0.54 0.51 0.29 -0.44 -1.18 0.00 0.00 179.01 178.73 1pf8 h ASP 258 N 0.80 0.72 0.03 1.04 3.32 -1.99 -1.38 116.42 118.96 1pf8 h ASP 258 Ca 0.37 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 1pf8 h ASP 258 Cb 0.37 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1pf8 h ASP 258 CO -0.14 0.60 -0.55 1.23 -1.72 0.00 0.00 179.24 178.66 1pf8 h GLY 259 N 0.89 0.37 1.64 2.75 0.00 -1.59 -3.04 103.07 104.09 1pf8 h GLY 259 Ca 0.20 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1pf8 h GLY 259 CO -0.03 0.61 0.20 3.21 0.00 0.00 0.00 176.54 180.53 1pf8 h ARG 260 N -0.26 0.48 0.15 4.80 3.08 -1.16 -0.60 114.38 120.87 1pf8 h ARG 260 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1pf8 h ARG 260 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1pf8 h ARG 260 CO 0.11 0.35 -0.07 1.03 -1.07 0.00 0.00 179.97 180.31 1pf8 h SER 261 N 0.48 -0.17 -0.48 7.04 0.87 -1.33 -0.97 113.55 118.99 1pf8 h SER 261 Ca 0.13 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1pf8 h SER 261 Cb 0.01 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1pf8 h SER 261 CO -0.02 0.20 0.31 0.25 -0.53 0.00 0.00 176.83 177.04 1pf8 h LEU 262 N -0.57 0.54 -0.95 2.23 5.85 -1.36 -2.02 115.31 119.02 1pf8 h LEU 262 Ca -0.02 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1pf8 h LEU 262 Cb 0.44 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1pf8 h LEU 262 CO 0.03 0.39 -0.05 0.25 -0.34 0.00 0.00 178.44 178.72 1pf8 h LEU 263 N 0.64 0.68 -1.43 2.25 7.12 -1.15 -2.51 115.31 120.91 1pf8 h LEU 263 Ca 0.18 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1pf8 h LEU 263 Cb -0.06 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 1pf8 h LEU 263 CO -0.05 0.79 -0.04 -1.28 -0.13 0.00 0.00 178.44 177.73 1pf8 h SER 264 N 0.66 0.30 1.42 1.25 0.87 -0.65 -1.42 113.55 115.98 1pf8 h SER 264 Ca 0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1pf8 h SER 264 Cb 0.48 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1pf8 h SER 264 CO 0.02 0.39 -0.15 1.56 -0.53 0.00 0.00 176.83 178.13 1pf8 h GLN 265 N 0.31 0.00 0.00 2.24 4.20 -0.97 -3.25 115.11 117.64 1pf8 h GLN 265 Ca 0.07 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1pf8 h GLN 265 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1pf8 h GLN 265 CO 0.01 0.00 -1.18 0.52 -0.67 0.00 0.00 178.83 177.51 1pf8 h MET 266 N 0.00 0.00 -0.71 1.46 2.86 -0.89 -0.65 114.93 117.00 1pf8 h MET 266 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 1pf8 h MET 266 Cb 0.79 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.19 1pf8 h MET 266 CO 0.00 0.24 0.13 1.28 1.06 0.00 0.00 176.91 179.61 1pf8 n LEU 267 N -2.88 5.66 -4.72 1.22 4.77 -0.73 -3.69 117.00 116.63 1pf8 n LEU 267 Ca -0.06 -4.10 -0.41 0.00 -0.03 0.00 0.00 56.01 51.40 1pf8 n LEU 267 Cb 0.75 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1pf8 n LEU 267 CO 0.42 1.47 0.75 -1.00 -1.33 0.00 0.00 177.39 177.70 1pf8 s HIS 268 N -3.49 3.64 0.15 -1.77 3.76 -1.24 -4.96 115.29 111.39 1pf8 s HIS 268 Ca 0.53 1.62 -0.17 0.00 -0.15 0.00 0.00 55.06 56.90 1pf8 s HIS 268 Cb 0.45 -3.21 0.05 0.00 1.11 0.00 0.00 32.58 30.98 1pf8 s HIS 268 CO 0.02 -0.38 1.74 1.88 -0.85 0.00 0.00 174.74 177.15 1pf8 h TYR 269 N 5.90 0.15 -2.88 1.40 0.99 -1.93 -3.40 116.97 117.19 1pf8 h TYR 269 Ca -0.43 0.02 -0.57 0.00 2.00 0.00 0.00 58.73 59.75 1pf8 h TYR 269 Cb 1.21 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 38.89 1pf8 h TYR 269 CO 0.65 0.05 1.13 0.34 -0.00 0.00 0.00 178.16 180.33 1pf8 s ASP 270 N -5.32 6.30 0.28 3.88 -1.08 -1.26 -4.82 116.67 114.64 1pf8 s ASP 270 Ca -0.13 1.36 0.02 0.00 -0.52 0.00 0.00 52.55 53.27 1pf8 s ASP 270 Cb 0.12 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.63 1pf8 s ASP 270 CO 0.71 -1.37 1.80 -0.65 0.52 0.00 0.00 175.17 176.18 1pf8 h PRO 271 N 11.03 0.81 0.00 4.34 0.11 -1.96 0.43 132.00 146.76 1pf8 h PRO 271 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pf8 h PRO 271 Cb 1.14 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1pf8 h PRO 271 CO 1.03 0.54 0.00 -0.97 -0.21 0.00 0.00 178.00 178.38 1pf8 h ASN 272 N 0.84 0.00 0.06 -2.05 -0.73 -1.95 -2.72 115.58 109.04 1pf8 h ASN 272 Ca 0.51 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.68 1pf8 h ASN 272 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.22 1pf8 h ASN 272 CO -0.32 0.00 -0.96 1.17 -0.37 0.00 0.00 177.43 176.95 1pf8 n LYS 273 N -2.39 0.01 -2.36 6.67 4.81 0.01 -4.95 118.16 119.97 1pf8 n LYS 273 Ca 0.03 -0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.08 1pf8 n LYS 273 Cb 0.33 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 1pf8 n LYS 273 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1pf8 s ARG 274 N -3.01 4.33 0.36 1.64 3.52 -0.41 -4.95 118.95 120.43 1pf8 s ARG 274 Ca 0.08 1.85 -0.28 0.00 -0.13 0.00 0.00 55.73 57.25 1pf8 s ARG 274 Cb 0.16 -2.91 -0.10 0.00 -1.56 0.00 0.00 34.95 30.53 1pf8 s ARG 274 CO 0.85 -0.08 1.37 -1.50 -0.81 0.00 0.00 175.30 175.13 1pf8 s ILE 275 N -1.31 2.47 0.44 4.11 2.07 -0.25 -5.02 121.20 123.71 1pf8 s ILE 275 Ca 0.51 0.46 -0.12 0.00 -1.41 0.00 0.00 60.65 60.09 1pf8 s ILE 275 Cb -0.32 -3.29 -0.07 0.00 0.13 0.00 0.00 42.46 38.91 1pf8 s ILE 275 CO 0.40 0.11 0.83 -0.94 -1.91 0.00 0.00 174.94 173.44 1pf8 s SER 276 N -0.39 6.56 0.16 4.50 1.04 -1.26 -4.90 113.70 119.41 1pf8 s SER 276 Ca 0.51 1.27 -0.17 0.00 0.48 0.00 0.00 55.95 58.04 1pf8 s SER 276 Cb -0.42 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.39 1pf8 s SER 276 CO 0.56 -0.45 1.69 0.00 0.98 0.00 0.00 173.24 176.02 1pf8 h ALA 277 N 1.18 0.27 0.00 5.32 0.00 -1.94 0.28 119.26 124.37 1pf8 h ALA 277 Ca -0.47 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1pf8 h ALA 277 Cb 1.19 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1pf8 h ALA 277 CO 0.63 -0.43 -0.21 1.57 0.00 0.00 0.00 179.25 180.81 1pf8 h LYS 278 N 0.04 0.00 -0.00 0.00 2.10 -1.91 -2.72 116.57 114.08 1pf8 h LYS 278 Ca 0.17 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.60 1pf8 h LYS 278 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1pf8 h LYS 278 CO -0.33 0.21 -0.94 0.00 -2.00 0.00 0.00 179.45 176.40 1pf8 h ALA 279 N 1.79 0.37 0.00 0.07 0.00 -1.77 -3.14 119.26 116.58 1pf8 h ALA 279 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1pf8 h ALA 279 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pf8 h ALA 279 CO 0.03 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1pf8 h ALA 280 N 0.75 1.00 0.00 0.00 0.00 -0.65 -2.63 119.26 117.72 1pf8 h ALA 280 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1pf8 h ALA 280 Cb 1.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1pf8 h ALA 280 CO 0.16 0.00 -0.18 -0.07 0.00 0.00 0.00 179.25 179.17 1pf8 h LEU 281 N 0.00 0.00 -1.38 0.00 3.38 -1.46 -3.10 115.31 112.75 1pf8 h LEU 281 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pf8 h LEU 281 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1pf8 h LEU 281 CO 0.00 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1pf8 n ALA 282 N -2.15 2.52 -1.76 1.53 0.00 -0.99 -4.85 120.51 114.81 1pf8 n ALA 282 Ca 0.02 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 52.51 1pf8 n ALA 282 Cb 0.54 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.00 1pf8 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pf8 s HIS 283 N -1.98 2.40 0.18 0.00 5.04 -1.18 -4.86 115.29 114.89 1pf8 s HIS 283 Ca 0.34 1.30 0.32 0.00 -1.54 0.00 0.00 55.06 55.48 1pf8 s HIS 283 Cb 0.21 -3.87 1.73 0.00 0.04 0.00 0.00 32.58 30.68 1pf8 s HIS 283 CO 0.32 -2.92 1.97 -1.00 -2.34 0.00 0.00 174.74 170.77 1pf8 h PRO 284 N 2.01 0.00 0.00 2.88 0.13 -1.92 -2.31 132.00 132.80 1pf8 h PRO 284 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1pf8 h PRO 284 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1pf8 h PRO 284 CO 0.60 0.00 -0.08 0.35 -0.23 0.00 0.00 178.00 178.63 1pf8 h PHE 285 N 0.00 0.00 -0.55 1.56 3.04 -1.89 -1.76 116.94 117.34 1pf8 h PHE 285 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pf8 h PHE 285 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1pf8 h PHE 285 CO 0.00 0.08 0.00 1.19 -2.02 0.00 0.00 178.31 177.56 1pf8 n PHE 286 N -3.81 1.36 0.07 0.41 3.72 -0.87 -4.48 117.46 113.86 1pf8 n PHE 286 Ca -0.02 -0.53 -0.11 0.00 -0.05 0.00 0.00 57.45 56.74 1pf8 n PHE 286 Cb 0.18 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 1pf8 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1pf8 h GLN 287 N 3.50 -0.24 -1.39 -1.08 -0.00 -1.49 -3.12 115.11 111.29 1pf8 h GLN 287 Ca 0.00 0.02 -0.69 0.00 -0.00 0.00 0.00 58.65 57.98 1pf8 h GLN 287 Cb 1.35 0.06 -0.31 0.00 0.00 0.00 0.00 27.48 28.57 1pf8 h GLN 287 CO 0.23 -0.16 0.59 -0.40 0.00 0.00 0.00 178.83 179.09 1pf8 n ASP 288 N -5.27 7.02 -4.81 -0.69 3.85 -1.26 -5.02 116.55 110.37 1pf8 n ASP 288 Ca -0.06 -3.80 -0.34 0.00 -0.71 0.00 0.00 54.79 49.88 1pf8 n ASP 288 Cb 0.19 -0.89 -0.06 0.00 -1.35 0.00 0.00 41.12 39.01 1pf8 n ASP 288 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1pf8 s VAL 289 N -4.97 4.18 0.33 2.12 -7.23 -1.18 -5.07 120.40 108.58 1pf8 s VAL 289 Ca 0.57 1.46 0.01 0.00 -1.81 0.00 0.00 61.98 62.21 1pf8 s VAL 289 Cb 0.46 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 1pf8 s VAL 289 CO -0.17 -0.19 0.38 0.42 -0.31 0.00 0.00 175.10 175.22 1pf8 s THR 290 N -1.99 0.00 -0.58 5.32 -4.23 -1.26 -5.12 115.64 107.78 1pf8 s THR 290 Ca 0.61 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1pf8 s THR 290 Cb -0.13 -2.57 0.16 0.00 1.34 0.00 0.00 72.50 71.29 1pf8 s THR 290 CO 0.18 0.00 0.39 -0.75 -0.54 0.00 0.00 174.62 173.89 1pf8 s LYS 291 N -3.28 1.94 0.66 3.99 2.20 -1.26 -4.44 119.74 119.55 1pf8 s LYS 291 Ca 0.35 -2.81 -0.11 0.00 -0.36 0.00 0.00 55.97 53.04 1pf8 s LYS 291 Cb 0.01 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1pf8 s LYS 291 CO 0.23 -1.25 1.05 -1.25 -0.36 0.00 0.00 175.35 173.77 1pf8 s PRO 292 N -0.71 3.27 0.01 4.03 0.04 -1.26 -4.98 135.00 135.40 1pf8 s PRO 292 Ca 0.23 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 1pf8 s PRO 292 Cb -0.10 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1pf8 s PRO 292 CO -0.11 -0.80 0.16 0.14 0.04 0.00 0.00 177.00 176.42 1pf8 s VAL 293 N -3.19 5.18 0.55 -0.36 -7.23 -1.26 -4.54 120.40 109.55 1pf8 s VAL 293 Ca 0.56 -0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 60.33 1pf8 s VAL 293 Cb -0.12 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 1pf8 s VAL 293 CO 0.54 0.27 0.90 -2.16 -0.31 0.00 0.00 175.10 174.34 1pf8 s PRO 294 N -2.06 3.57 -0.34 4.82 0.04 -1.26 -4.96 135.00 134.81 1pf8 s PRO 294 Ca 0.28 0.47 -0.19 0.00 0.04 0.00 0.00 61.00 61.60 1pf8 s PRO 294 Cb -0.13 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1pf8 s PRO 294 CO 0.20 -0.38 0.56 -1.58 0.04 0.00 0.00 177.00 175.84 1pf8 s HIS 295 N -2.95 3.18 -0.08 0.56 2.46 -1.26 -4.95 115.29 112.24 1pf8 s HIS 295 Ca 0.51 0.28 0.05 0.00 0.47 0.00 0.00 55.06 56.37 1pf8 s HIS 295 Cb -0.11 -2.99 -0.00 0.00 -0.13 0.00 0.00 32.58 29.35 1pf8 s HIS 295 CO 0.49 -0.55 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.47 1pf8 s LEU 296 N 2.50 2.05 -0.35 8.88 1.43 -1.26 -5.09 118.68 126.84 1pf8 s LEU 296 Ca 0.21 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1pf8 s LEU 296 Cb -0.15 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.79 1pf8 s LEU 296 CO 0.13 0.19 0.12 -0.13 0.23 0.00 0.00 176.35 176.90 1pf8 s ARG 297 N 0.12 2.56 0.00 1.70 1.81 -1.26 -5.15 118.95 118.74 1pf8 s ARG 297 Ca -0.11 -1.26 0.18 0.00 -1.72 0.00 0.00 55.73 52.82 1pf8 s ARG 297 Cb -0.16 -3.49 0.14 0.00 -0.45 0.00 0.00 34.95 31.00 1pf8 s ARG 297 CO 0.06 -0.72 1.08 1.28 -0.68 0.00 0.00 175.30 176.32