#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i n GLU 2 N 0.00 2.38 -0.37 0.00 1.02 -1.26 -3.97 120.64 118.44 1s6i n GLU 2 Ca 0.00 -1.83 0.08 0.00 -0.02 0.00 0.00 57.16 55.39 1s6i n GLU 2 Cb 0.00 -1.81 0.26 0.00 -0.02 0.00 0.00 31.44 29.87 1s6i n GLU 2 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s6i n ARG 3 N -0.14 3.10 0.00 3.49 1.74 -1.26 -4.59 116.66 119.00 1s6i n ARG 3 Ca 0.28 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 1s6i n ARG 3 Cb 1.05 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1s6i n ARG 3 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1s6i n LEU 4 N 0.71 0.12 0.00 0.55 4.77 -1.25 -4.96 117.00 116.94 1s6i n LEU 4 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1s6i n LEU 4 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1s6i n LEU 4 CO 0.15 0.00 0.13 -0.24 -1.33 0.00 0.00 177.39 176.10 1s6i n SER 5 N -0.14 0.45 -4.36 -1.43 2.88 -1.26 -4.96 113.62 104.80 1s6i n SER 5 Ca 0.00 -1.05 -0.46 0.00 -1.33 0.00 0.00 58.87 56.03 1s6i n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1s6i n SER 5 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1s6i s GLU 6 N -0.05 3.71 -0.08 -1.46 -1.05 -1.26 -3.19 118.70 115.32 1s6i s GLU 6 Ca 0.00 -2.44 -0.05 0.00 -0.15 0.00 0.00 54.97 52.34 1s6i s GLU 6 Cb 0.00 -4.57 -0.02 0.00 -0.44 0.00 0.00 34.13 29.10 1s6i s GLU 6 CO 0.00 -1.40 -0.09 0.93 0.95 0.00 0.00 175.26 175.65 1s6i h GLU 7 N 7.81 0.00 0.00 -4.83 3.07 -1.92 -3.43 114.58 115.27 1s6i h GLU 7 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1s6i h GLU 7 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1s6i h GLU 7 CO 0.88 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 176.58 1s6i n GLU 8 N -3.58 0.00 0.00 2.33 4.07 -1.26 -4.94 120.64 117.27 1s6i n GLU 8 Ca -0.04 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1s6i n GLU 8 Cb 0.14 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.94 1s6i n GLU 8 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1s6i n ILE 9 N -1.84 0.00 -3.45 6.31 2.08 -1.26 -5.05 119.36 116.14 1s6i n ILE 9 Ca 0.00 0.42 0.01 0.00 0.56 0.00 0.00 62.75 63.74 1s6i n ILE 9 Cb 0.00 -1.36 -0.04 0.00 -0.75 0.00 0.00 39.64 37.49 1s6i n ILE 9 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1s6i s GLY 10 N -2.34 -0.30 0.00 7.39 0.00 -1.26 -4.98 107.32 105.83 1s6i s GLY 10 Ca 0.00 2.90 0.16 0.00 0.00 0.00 0.00 44.72 47.79 1s6i s GLY 10 CO 0.00 3.21 1.41 0.61 0.00 0.00 0.00 173.10 178.33 1s6i n GLY 11 N 5.07 -0.58 0.09 0.20 0.00 -1.19 -1.93 105.19 106.85 1s6i n GLY 11 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1s6i n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6i h LEU 12 N 0.00 0.00 0.12 0.99 4.07 -1.94 -2.69 115.31 115.87 1s6i h LEU 12 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1s6i h LEU 12 Cb 0.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1s6i h LEU 12 CO 0.00 0.77 -0.21 0.50 -1.08 0.00 0.00 178.44 178.41 1s6i h LYS 13 N 0.00 -0.39 -0.37 1.13 3.11 -1.78 1.32 116.57 119.59 1s6i h LYS 13 Ca -0.11 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.69 1s6i h LYS 13 Cb 1.68 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.99 1s6i h LYS 13 CO 0.08 -0.26 -0.01 1.49 -2.81 0.00 0.00 179.45 177.94 1s6i h GLU 14 N -0.41 0.67 -0.04 1.90 4.81 -1.74 -2.07 114.58 117.70 1s6i h GLU 14 Ca 0.02 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1s6i h GLU 14 Cb 0.42 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1s6i h GLU 14 CO -0.11 0.78 0.07 1.25 -0.73 0.00 0.00 179.01 180.27 1s6i h LEU 15 N 0.48 0.00 0.13 1.64 5.85 -1.04 0.50 115.31 122.88 1s6i h LEU 15 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1s6i h LEU 15 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1s6i h LEU 15 CO 0.02 0.00 -0.06 0.15 -0.34 0.00 0.00 178.44 178.21 1s6i h PHE 16 N 0.00 -0.17 0.00 1.25 3.57 0.24 -2.93 116.94 118.91 1s6i h PHE 16 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s6i h PHE 16 Cb 0.15 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1s6i h PHE 16 CO 0.00 0.17 0.00 0.36 -2.23 0.00 0.00 178.31 176.61 1s6i n LYS 17 N -4.87 0.11 -0.05 1.11 2.85 -1.00 -1.74 118.16 114.57 1s6i n LYS 17 Ca -0.05 0.31 -0.11 0.00 -1.05 0.00 0.00 58.31 57.40 1s6i n LYS 17 Cb 0.20 -1.70 0.03 0.00 -0.65 0.00 0.00 35.03 32.92 1s6i n LYS 17 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1s6i h MET 18 N 0.00 0.74 0.60 -1.58 2.86 -0.02 -3.23 114.93 114.30 1s6i h MET 18 Ca 0.00 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1s6i h MET 18 Cb 0.36 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1s6i h MET 18 CO 0.00 1.04 -0.29 0.82 1.06 0.00 0.00 176.91 179.54 1s6i h ILE 19 N 0.59 0.28 -0.15 -1.22 2.04 -1.14 -3.22 117.51 114.69 1s6i h ILE 19 Ca 0.04 -0.30 -0.68 0.00 1.00 0.00 0.00 64.86 64.91 1s6i h ILE 19 Cb 1.01 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1s6i h ILE 19 CO 0.10 0.03 3.61 -0.90 0.00 0.00 0.00 178.15 180.99 1s6i n ASP 20 N -5.36 8.19 0.12 1.72 5.68 -1.20 -3.91 116.55 121.79 1s6i n ASP 20 Ca -0.12 -2.67 0.12 0.00 -0.50 0.00 0.00 54.79 51.62 1s6i n ASP 20 Cb 0.35 -1.54 0.47 0.00 -1.14 0.00 0.00 41.12 39.25 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1s6i n THR 21 N 3.50 0.75 0.00 2.12 5.66 -1.22 -3.99 114.28 121.11 1s6i n THR 21 Ca 0.74 0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.83 1s6i n THR 21 Cb 0.25 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1s6i n THR 21 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1s6i n ASP 22 N -2.22 0.24 0.00 1.09 5.75 -1.26 -4.98 116.55 115.16 1s6i n ASP 22 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1s6i n ASP 22 Cb 0.28 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1s6i n ASN 23 N -0.11 0.00 0.00 -1.12 2.85 -1.26 -4.96 115.26 110.67 1s6i n ASN 23 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1s6i n ASN 23 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1s6i n SER 24 N -0.40 0.00 0.00 1.20 3.41 -1.26 -4.95 113.62 111.61 1s6i n SER 24 Ca 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1s6i n SER 24 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s6i n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 25 N 0.00 1.32 3.29 5.00 0.00 -1.26 -5.11 105.19 108.44 1s6i n GLY 25 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1s6i n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6i s THR 26 N -2.00 1.64 -0.41 2.61 -4.23 -1.26 -4.71 115.64 107.29 1s6i s THR 26 Ca 0.00 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1s6i s THR 26 Cb 0.00 -1.64 0.09 0.00 1.34 0.00 0.00 72.50 72.30 1s6i s THR 26 CO 0.00 -0.24 0.22 -0.63 -0.54 0.00 0.00 174.62 173.43 1s6i s ILE 27 N -1.71 3.73 0.14 2.99 1.01 0.77 -4.49 121.20 123.63 1s6i s ILE 27 Ca 0.10 -1.68 0.04 0.00 0.00 0.00 0.00 60.65 59.11 1s6i s ILE 27 Cb -0.07 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1s6i s ILE 27 CO 0.05 -0.55 0.16 0.42 0.00 0.00 0.00 174.94 175.02 1s6i s THR 28 N 1.29 4.76 0.42 2.92 -4.23 -1.25 0.22 115.64 119.77 1s6i s THR 28 Ca 0.04 -0.87 0.24 0.00 -1.18 0.00 0.00 61.69 59.92 1s6i s THR 28 Cb -0.23 -3.40 0.36 0.00 1.34 0.00 0.00 72.50 70.57 1s6i s THR 28 CO -0.01 -0.04 0.98 0.33 -0.54 0.00 0.00 174.62 175.34 1s6i n PHE 29 N -0.18 0.00 0.14 3.99 7.35 -1.07 0.25 117.46 127.94 1s6i n PHE 29 Ca -0.08 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.37 1s6i n PHE 29 Cb 0.54 -0.24 -0.16 0.00 0.35 0.00 0.00 39.48 39.97 1s6i n PHE 29 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1s6i h ASP 30 N 0.00 0.82 0.68 -2.13 3.32 -1.92 -3.35 116.42 113.84 1s6i h ASP 30 Ca 0.46 -0.90 -0.25 0.00 0.02 0.00 0.00 57.03 56.35 1s6i h ASP 30 Cb 2.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 41.53 1s6i h ASP 30 CO -0.00 1.71 -1.44 -0.33 -1.72 0.00 0.00 179.24 177.45 1s6i h GLU 31 N 0.14 0.00 -1.00 3.56 3.07 0.29 -3.27 114.58 117.38 1s6i h GLU 31 Ca -0.26 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.81 1s6i h GLU 31 Cb 2.16 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.89 1s6i h GLU 31 CO 0.27 0.63 -0.21 -0.11 -1.40 0.00 0.00 179.01 178.19 1s6i n LEU 32 N -3.13 -0.32 0.08 1.33 -0.00 0.18 0.10 117.00 115.24 1s6i n LEU 32 Ca -0.11 1.71 -0.17 0.00 -0.00 0.00 0.00 56.01 57.44 1s6i n LEU 32 Cb 1.00 -0.53 -0.09 0.00 -0.00 0.00 0.00 43.42 43.79 1s6i n LEU 32 CO 0.45 -1.65 0.05 0.07 -0.00 0.00 0.00 177.39 176.31 1s6i h LYS 33 N 0.00 0.49 -1.04 1.96 2.10 -1.73 -3.25 116.57 115.10 1s6i h LYS 33 Ca 0.50 -0.61 0.30 0.00 -2.00 0.00 0.00 60.65 58.84 1s6i h LYS 33 Cb 0.80 0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 32.28 1s6i h LYS 33 CO -1.01 1.24 0.90 0.22 -2.00 0.00 0.00 179.45 178.80 1s6i h ASP 34 N 0.24 0.00 -0.16 7.07 1.82 0.60 0.12 116.42 126.10 1s6i h ASP 34 Ca -0.13 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.55 1s6i h ASP 34 Cb 1.77 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.74 1s6i h ASP 34 CO 0.20 0.00 -0.07 1.23 -1.61 0.00 0.00 179.24 178.99 1s6i h GLY 35 N 0.00 0.07 0.74 -0.78 0.00 -1.36 -0.07 103.07 101.67 1s6i h GLY 35 Ca 0.49 0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.65 1s6i h GLY 35 CO -0.01 -0.09 -1.79 1.04 0.00 0.00 0.00 176.54 175.69 1s6i n LEU 36 N -5.22 0.66 -0.07 3.11 7.99 -0.01 -3.68 117.00 119.77 1s6i n LEU 36 Ca -0.03 0.31 -0.07 0.00 -0.01 0.00 0.00 56.01 56.20 1s6i n LEU 36 Cb 0.14 0.21 -0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1s6i n LEU 36 CO 0.24 0.34 0.90 0.11 -1.51 0.00 0.00 177.39 177.47 1s6i h LYS 37 N 0.00 0.17 -0.78 3.23 1.57 -0.81 -0.93 116.57 119.03 1s6i h LYS 37 Ca -0.30 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1s6i h LYS 37 Cb 1.92 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.16 1s6i h LYS 37 CO 0.06 0.11 0.51 -0.09 -0.57 0.00 0.00 179.45 179.47 1s6i h ARG 38 N 0.17 1.00 0.00 3.15 2.43 -1.16 -1.72 114.38 118.26 1s6i h ARG 38 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1s6i h ARG 38 Cb 0.13 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1s6i h ARG 38 CO -0.16 0.66 -0.10 -0.24 -1.51 0.00 0.00 179.97 178.62 1s6i h VAL 39 N 1.03 0.27 0.00 0.20 3.04 -1.29 -3.46 116.25 116.04 1s6i h VAL 39 Ca 0.29 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1s6i h VAL 39 Cb -0.09 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1s6i h VAL 39 CO -0.07 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.20 1s6i n GLY 40 N 0.01 1.13 3.74 3.17 0.00 -0.54 -5.10 105.19 107.60 1s6i n GLY 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1s6i n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s6i s SER 41 N -0.69 4.50 -0.29 1.61 0.01 -0.65 -4.93 113.70 113.25 1s6i s SER 41 Ca 0.00 2.22 0.01 0.00 1.31 0.00 0.00 55.95 59.49 1s6i s SER 41 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.74 1s6i s SER 41 CO 0.00 -2.05 0.04 -1.83 0.41 0.00 0.00 173.24 169.81 1s6i s GLU 42 N -3.99 1.18 0.37 12.44 -1.05 -1.26 -3.67 118.70 122.72 1s6i s GLU 42 Ca 0.71 -1.26 0.08 0.00 -0.15 0.00 0.00 54.97 54.35 1s6i s GLU 42 Cb -0.26 -2.52 -0.04 0.00 -0.44 0.00 0.00 34.13 30.87 1s6i s GLU 42 CO 0.44 -0.86 0.18 -0.48 0.95 0.00 0.00 175.26 175.49 1s6i s LEU 43 N 1.35 3.24 0.34 1.83 0.05 -1.26 -5.12 118.68 119.12 1s6i s LEU 43 Ca 0.06 -0.85 0.08 0.00 0.05 0.00 0.00 54.13 53.47 1s6i s LEU 43 Cb -0.18 -1.70 -0.03 0.00 -2.05 0.00 0.00 46.19 42.23 1s6i s LEU 43 CO -0.14 -0.40 0.25 0.00 -0.55 0.00 0.00 176.35 175.51 1s6i s MET 44 N -3.89 2.61 0.05 1.48 0.23 -1.26 -5.04 119.30 113.47 1s6i s MET 44 Ca 0.40 -1.39 -0.19 0.00 -1.03 0.00 0.00 55.69 53.48 1s6i s MET 44 Cb -0.01 -2.38 -0.08 0.00 -1.53 0.00 0.00 34.83 30.83 1s6i s MET 44 CO 0.23 0.08 1.29 0.93 -2.03 0.00 0.00 175.02 175.52 1s6i h GLU 45 N 1.32 -0.41 0.00 3.16 3.07 -2.00 -1.81 114.58 117.91 1s6i h GLU 45 Ca -0.44 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1s6i h GLU 45 Cb 1.25 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1s6i h GLU 45 CO 0.60 -0.27 0.74 0.77 -1.40 0.00 0.00 179.01 179.44 1s6i h SER 46 N -0.43 0.00 0.17 1.42 0.02 -1.99 1.25 113.55 113.99 1s6i h SER 46 Ca -0.01 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1s6i h SER 46 Cb 0.42 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.97 1s6i h SER 46 CO -0.13 0.00 -1.54 -0.33 -1.14 0.00 0.00 176.83 173.68 1s6i h GLU 47 N 0.00 0.35 -0.21 3.45 5.08 -1.74 -3.20 114.58 118.31 1s6i h GLU 47 Ca 0.00 -0.60 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1s6i h GLU 47 Cb 1.48 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 1s6i h GLU 47 CO 0.00 1.29 -0.03 0.82 -1.00 0.00 0.00 179.01 180.09 1s6i h ILE 48 N -0.06 0.81 -0.05 3.13 5.03 0.17 0.78 117.51 127.32 1s6i h ILE 48 Ca -0.31 -0.01 0.01 0.00 -0.12 0.00 0.00 64.86 64.44 1s6i h ILE 48 Cb 1.96 0.79 -0.00 0.00 -3.03 0.00 0.00 36.82 36.53 1s6i h ILE 48 CO 0.15 0.00 0.11 0.50 -0.68 0.00 0.00 178.15 178.23 1s6i h LYS 49 N 0.03 0.00 0.00 2.37 3.64 -1.51 0.36 116.57 121.45 1s6i h LYS 49 Ca 0.10 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1s6i h LYS 49 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1s6i h LYS 49 CO -0.20 0.00 -0.43 0.22 -2.27 0.00 0.00 179.45 176.77 1s6i h ASP 50 N 0.00 0.00 0.45 4.20 1.82 -0.84 0.40 116.42 122.45 1s6i h ASP 50 Ca 0.02 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.36 1s6i h ASP 50 Cb 0.25 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 1s6i h ASP 50 CO -0.00 0.43 -1.75 -0.11 -1.61 0.00 0.00 179.24 176.21 1s6i n LEU 51 N -3.40 1.02 -0.03 2.28 7.94 0.11 -3.26 117.00 121.65 1s6i n LEU 51 Ca 0.01 0.39 -0.01 0.00 -1.11 0.00 0.00 56.01 55.28 1s6i n LEU 51 Cb 0.60 0.06 -0.00 0.00 0.53 0.00 0.00 43.42 44.61 1s6i n LEU 51 CO 0.38 0.43 -0.10 -0.03 -1.11 0.00 0.00 177.39 176.96 1s6i h MET 52 N 0.01 0.00 -0.43 1.96 4.05 -0.92 -2.02 114.93 117.57 1s6i h MET 52 Ca -0.30 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 58.99 1s6i h MET 52 Cb 2.02 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.81 1s6i h MET 52 CO 0.08 0.00 -0.24 0.22 0.23 0.00 0.00 176.91 177.20 1s6i h ASP 53 N -0.38 0.91 0.80 1.39 3.58 -0.46 0.63 116.42 122.88 1s6i h ASP 53 Ca 0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1s6i h ASP 53 Cb 0.15 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1s6i h ASP 53 CO 0.00 1.10 -0.41 0.00 -2.88 0.00 0.00 179.24 177.05 1s6i n ALA 54 N -2.51 3.00 0.00 -0.78 0.00 -0.92 -4.56 120.51 114.74 1s6i n ALA 54 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1s6i n ALA 54 Cb 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1s6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 55 N -1.63 2.41 -1.66 0.00 0.00 -1.17 -4.94 120.51 113.52 1s6i n ALA 55 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.03 1s6i n ALA 55 Cb 0.38 0.32 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 1s6i n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6i n ASP 56 N -2.41 2.68 0.10 0.00 2.03 0.22 -4.27 116.55 114.89 1s6i n ASP 56 Ca 0.00 1.12 0.13 0.00 0.52 0.00 0.00 54.79 56.56 1s6i n ASP 56 Cb 0.32 -1.39 0.36 0.00 -0.72 0.00 0.00 41.12 39.69 1s6i n ASP 56 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s6i n ILE 57 N 2.45 0.55 -1.90 5.18 2.08 -1.26 -3.67 119.36 122.79 1s6i n ILE 57 Ca 0.14 -0.28 0.05 0.00 0.56 0.00 0.00 62.75 63.22 1s6i n ILE 57 Cb 0.29 -0.50 0.13 0.00 -0.75 0.00 0.00 39.64 38.81 1s6i n ILE 57 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1s6i n ASP 58 N -2.23 1.41 -2.61 4.38 8.00 -1.26 -5.05 116.55 119.20 1s6i n ASP 58 Ca 0.05 -3.06 -0.14 0.00 0.71 0.00 0.00 54.79 52.36 1s6i n ASP 58 Cb 0.43 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.98 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s6i n LYS 59 N -0.51 0.00 -0.21 -1.24 0.00 -1.24 -4.59 118.16 110.37 1s6i n LYS 59 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.49 1s6i n LYS 59 Cb 0.85 -0.60 0.07 0.00 0.00 0.00 0.00 35.03 35.35 1s6i n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6i n SER 60 N 3.39 1.35 0.00 3.14 3.41 -1.26 -4.94 113.62 118.70 1s6i n SER 60 Ca 0.39 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1s6i n SER 60 Cb 0.08 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 61 N -0.76 0.48 3.46 5.00 0.00 -1.26 -5.02 105.19 107.09 1s6i n GLY 61 Ca 0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1s6i n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6i s THR 62 N -2.00 -0.13 -0.09 2.61 2.01 -1.22 -2.60 115.64 114.21 1s6i s THR 62 Ca 0.00 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1s6i s THR 62 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1s6i s THR 62 CO 0.00 0.02 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.25 1s6i s ILE 63 N 1.71 3.62 0.40 1.82 1.01 0.60 -4.79 121.20 125.56 1s6i s ILE 63 Ca -0.09 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1s6i s ILE 63 Cb -0.07 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1s6i s ILE 63 CO -0.16 0.57 0.42 -1.81 0.00 0.00 0.00 174.94 173.95 1s6i s ASP 64 N -0.40 5.30 0.38 3.58 1.11 -1.26 -0.16 116.67 125.22 1s6i s ASP 64 Ca 0.06 -0.59 0.22 0.00 0.18 0.00 0.00 52.55 52.42 1s6i s ASP 64 Cb -0.12 -0.69 1.35 0.00 1.07 0.00 0.00 42.92 44.52 1s6i s ASP 64 CO 0.02 -0.62 1.59 0.22 1.18 0.00 0.00 175.17 177.56 1s6i h TYR 65 N 0.95 0.78 0.20 4.23 3.20 -1.97 0.29 116.97 124.66 1s6i h TYR 65 Ca -0.42 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 1s6i h TYR 65 Cb 1.27 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1s6i h TYR 65 CO 0.48 -0.41 -0.10 0.78 -1.64 0.00 0.00 178.16 177.28 1s6i h GLY 66 N 0.04 -0.28 0.90 1.82 0.00 -2.00 -3.13 103.07 100.41 1s6i h GLY 66 Ca 0.84 0.11 0.02 0.00 0.00 0.00 0.00 47.33 48.30 1s6i h GLY 66 CO -0.69 -0.10 0.53 0.83 0.00 0.00 0.00 176.54 177.10 1s6i h GLU 67 N -1.02 0.00 0.37 4.80 5.08 -1.37 0.52 114.58 122.96 1s6i h GLU 67 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s6i h GLU 67 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1s6i h GLU 67 CO 0.05 0.00 -0.18 0.35 -1.00 0.00 0.00 179.01 178.23 1s6i h PHE 68 N 0.00 -0.47 -0.71 4.33 3.57 -0.49 -1.94 116.94 121.23 1s6i h PHE 68 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1s6i h PHE 68 Cb 1.09 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1s6i h PHE 68 CO 0.00 -0.15 0.26 0.82 -2.23 0.00 0.00 178.31 177.01 1s6i h ILE 69 N -1.00 1.25 0.00 1.41 2.04 -0.91 -0.20 117.51 120.10 1s6i h ILE 69 Ca -0.05 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1s6i h ILE 69 Cb 0.52 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1s6i h ILE 69 CO 0.08 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.56 1s6i n ALA 70 N -2.42 1.74 -0.00 1.87 0.00 -0.32 -0.74 120.51 120.65 1s6i n ALA 70 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1s6i n ALA 70 Cb 0.20 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 1s6i n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 71 N -1.33 1.68 -0.11 0.00 0.00 -0.11 -3.68 120.51 116.96 1s6i n ALA 71 Ca 0.06 -0.70 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1s6i n ALA 71 Cb 0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 1s6i n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6i n THR 72 N -2.96 1.50 0.19 0.00 -2.24 -0.61 -4.24 114.28 105.92 1s6i n THR 72 Ca -0.15 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1s6i n THR 72 Cb 0.97 -2.13 0.58 0.00 -2.10 0.00 0.00 70.33 67.66 1s6i n THR 72 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1s6i h VAL 73 N -1.00 0.00 -0.07 2.28 3.04 -1.16 0.10 116.25 119.44 1s6i h VAL 73 Ca -0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 1s6i h VAL 73 Cb 1.19 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1s6i h VAL 73 CO -0.19 0.00 -0.06 -0.74 -1.01 0.00 0.00 177.57 175.57 1s6i h HIS 74 N 0.00 0.20 0.00 3.17 2.76 -1.74 -1.44 115.15 118.10 1s6i h HIS 74 Ca 0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1s6i h HIS 74 Cb 0.24 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1s6i h HIS 74 CO 0.00 0.59 0.00 1.28 -1.30 0.00 0.00 177.93 178.50 1s6i n LEU 75 N -4.73 0.42 -3.72 0.26 4.77 0.32 -3.30 117.00 111.02 1s6i n LEU 75 Ca -0.07 0.65 -0.29 0.00 -0.03 0.00 0.00 56.01 56.26 1s6i n LEU 75 Cb 0.29 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1s6i n LEU 75 CO 0.36 -0.65 0.11 -3.20 -1.33 0.00 0.00 177.39 172.68 1s6i n ASN 76 N -2.01 3.63 0.00 -1.43 4.05 -0.54 -4.97 115.26 113.98 1s6i n ASN 76 Ca 0.01 -3.32 0.00 0.00 0.45 0.00 0.00 54.58 51.72 1s6i n ASN 76 Cb 0.11 -0.77 0.00 0.00 1.23 0.00 0.00 39.78 40.35 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1s6i n LYS 77 N 1.48 0.00 -2.37 1.20 4.76 -1.21 -4.80 118.16 117.23 1s6i n LYS 77 Ca 0.25 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.33 1s6i n LYS 77 Cb 0.38 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.53 1s6i n LYS 77 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6i s LEU 78 N 0.00 3.37 0.64 -0.35 2.01 -1.26 -4.81 118.68 118.28 1s6i s LEU 78 Ca 0.00 -1.14 0.14 0.00 0.01 0.00 0.00 54.13 53.14 1s6i s LEU 78 Cb 0.00 -2.57 0.56 0.00 0.01 0.00 0.00 46.19 44.19 1s6i s LEU 78 CO 0.00 -1.98 1.24 1.05 1.01 0.00 0.00 176.35 177.67 1s6i h GLU 79 N 10.39 0.00 -6.48 1.70 4.11 -1.93 -3.42 114.58 118.95 1s6i h GLU 79 Ca 0.15 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.02 1s6i h GLU 79 Cb 1.01 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.46 1s6i h GLU 79 CO 1.35 0.00 -0.73 0.54 0.07 0.00 0.00 179.01 180.24 1s6i n ARG 80 N -2.88 0.15 -1.28 1.06 5.12 -1.26 -4.87 116.66 112.70 1s6i n ARG 80 Ca 0.09 0.08 -0.36 0.00 -1.93 0.00 0.00 57.85 55.73 1s6i n ARG 80 Cb 1.14 -1.60 0.08 0.00 -1.16 0.00 0.00 32.46 30.92 1s6i n ARG 80 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1s6i n GLU 81 N -0.07 0.35 0.00 5.56 -0.58 -1.26 -5.03 120.64 119.61 1s6i n GLU 81 Ca 0.08 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1s6i n GLU 81 Cb 0.51 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1s6i n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1s6i n GLU 82 N -1.18 3.06 -0.00 3.49 4.71 -1.26 -5.12 120.64 124.34 1s6i n GLU 82 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1s6i n GLU 82 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1s6i n GLU 82 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1s6i n ASN 83 N 0.00 0.00 0.00 1.62 3.02 -1.26 -5.00 115.26 113.64 1s6i n ASN 83 Ca 0.00 -0.47 -0.04 0.00 -0.03 0.00 0.00 54.58 54.03 1s6i n ASN 83 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1s6i n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s6i n LEU 84 N 0.00 0.87 0.25 3.41 -0.00 -1.26 -3.94 117.00 116.34 1s6i n LEU 84 Ca 0.00 0.40 0.15 0.00 -0.00 0.00 0.00 56.01 56.56 1s6i n LEU 84 Cb 0.00 0.12 0.49 0.00 -0.00 0.00 0.00 43.42 44.03 1s6i n LEU 84 CO 0.00 0.27 0.92 1.62 -0.00 0.00 0.00 177.39 180.20 1s6i h VAL 85 N 0.00 0.00 -1.11 1.47 3.04 -2.00 -3.14 116.25 114.52 1s6i h VAL 85 Ca -0.22 -0.69 0.32 0.00 -1.01 0.00 0.00 66.70 65.10 1s6i h VAL 85 Cb 1.80 1.68 -0.05 0.00 -2.01 0.00 0.00 31.29 32.72 1s6i h VAL 85 CO 0.06 0.00 0.79 0.28 -1.01 0.00 0.00 177.57 177.70 1s6i h SER 86 N 0.00 0.03 0.00 3.17 0.02 -1.95 0.10 113.55 114.91 1s6i h SER 86 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1s6i h SER 86 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1s6i h SER 86 CO 0.00 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 175.53 1s6i h ALA 87 N 1.45 0.03 -1.12 3.77 0.00 -1.81 -2.34 119.26 119.25 1s6i h ALA 87 Ca 0.53 -0.49 0.32 0.00 0.00 0.00 0.00 54.91 55.27 1s6i h ALA 87 Cb 2.09 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1s6i h ALA 87 CO -0.02 0.10 1.11 0.35 0.00 0.00 0.00 179.25 180.78 1s6i h PHE 88 N -1.00 0.00 0.00 0.00 3.57 -1.15 1.10 116.94 119.47 1s6i h PHE 88 Ca -0.04 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1s6i h PHE 88 Cb 0.83 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1s6i h PHE 88 CO 0.19 0.00 -0.58 1.03 -2.23 0.00 0.00 178.31 176.72 1s6i h SER 89 N 0.00 0.00 0.09 0.41 0.87 -1.38 -3.31 113.55 110.23 1s6i h SER 89 Ca 0.53 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1s6i h SER 89 Cb 2.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.70 1s6i h SER 89 CO -0.01 0.85 -0.04 0.22 -0.53 0.00 0.00 176.83 177.32 1s6i h TYR 90 N -1.00 -0.12 0.46 2.24 3.20 -0.26 -3.24 116.97 118.25 1s6i h TYR 90 Ca -0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1s6i h TYR 90 Cb 0.60 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1s6i h TYR 90 CO -0.15 -0.07 -0.42 0.74 -1.64 0.00 0.00 178.16 176.62 1s6i h PHE 91 N -0.65 -1.15 0.00 -3.82 -1.00 0.87 -2.29 116.94 108.90 1s6i h PHE 91 Ca -0.01 0.01 -0.50 0.00 2.81 0.00 0.00 57.97 60.28 1s6i h PHE 91 Cb 0.10 0.44 0.02 0.00 3.61 0.00 0.00 35.95 40.12 1s6i h PHE 91 CO 0.01 -0.57 3.07 -0.25 -1.61 0.00 0.00 178.31 178.97 1s6i n ASP 92 N -4.96 6.26 -0.32 2.17 8.00 0.74 -4.65 116.55 123.78 1s6i n ASP 92 Ca -0.10 -2.43 0.16 0.00 0.71 0.00 0.00 54.79 53.13 1s6i n ASP 92 Cb 0.39 -1.27 0.35 0.00 -0.02 0.00 0.00 41.12 40.57 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1s6i h LYS 93 N 5.87 0.42 0.00 -1.24 3.64 -1.43 0.52 116.57 124.35 1s6i h LYS 93 Ca 0.63 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.96 1s6i h LYS 93 Cb 0.22 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1s6i h LYS 93 CO 1.59 0.28 -0.11 -0.44 -2.27 0.00 0.00 179.45 178.50 1s6i h ASP 94 N 0.44 0.00 0.00 4.20 5.19 -1.85 -3.47 116.42 120.93 1s6i h ASP 94 Ca 0.61 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 1s6i h ASP 94 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1s6i h ASP 94 CO -0.53 0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.31 1s6i n GLY 95 N 1.10 0.56 0.00 2.75 0.00 0.18 -4.74 105.19 105.04 1s6i n GLY 95 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.68 113.62 112.70 1s6i n SER 96 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1s6i n SER 96 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1s6i n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 97 N -1.31 0.70 3.04 5.00 0.00 -1.26 -5.04 105.19 106.32 1s6i n GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1s6i n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6i s TYR 98 N -2.00 0.44 -0.28 1.61 1.51 -1.26 -0.53 117.35 116.84 1s6i s TYR 98 Ca 0.00 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 1s6i s TYR 98 Cb 0.00 -0.31 0.09 0.00 -0.11 0.00 0.00 41.96 41.63 1s6i s TYR 98 CO 0.00 -0.24 0.07 0.42 -1.11 0.00 0.00 175.55 174.69 1s6i s ILE 99 N -2.44 0.84 0.56 2.71 1.01 0.54 -4.68 121.20 119.74 1s6i s ILE 99 Ca -0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 1s6i s ILE 99 Cb -0.03 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1s6i s ILE 99 CO -0.04 -0.53 0.86 0.42 0.00 0.00 0.00 174.94 175.65 1s6i s THR 100 N 1.66 3.95 0.34 2.92 -4.23 -1.26 0.72 115.64 119.74 1s6i s THR 100 Ca 0.06 0.01 0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1s6i s THR 100 Cb -0.17 -3.54 0.38 0.00 1.34 0.00 0.00 72.50 70.50 1s6i s THR 100 CO -0.20 -0.54 1.26 0.00 -0.54 0.00 0.00 174.62 174.60 1s6i n LEU 101 N -2.48 0.19 0.21 4.79 -0.00 -0.58 0.98 117.00 120.12 1s6i n LEU 101 Ca 0.03 1.16 -0.15 0.00 -0.00 0.00 0.00 56.01 57.06 1s6i n LEU 101 Cb 0.57 -0.57 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1s6i n LEU 101 CO 0.52 -1.28 0.67 -0.78 -0.00 0.00 0.00 177.39 176.53 1s6i h ASP 102 N 0.00 -0.43 -0.01 1.45 1.82 -1.91 0.29 116.42 117.65 1s6i h ASP 102 Ca 0.70 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 57.26 1s6i h ASP 102 Cb 2.17 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 42.28 1s6i h ASP 102 CO -0.43 -0.21 -0.06 -0.33 -1.61 0.00 0.00 179.24 176.60 1s6i h GLU 103 N -0.62 0.17 0.12 0.28 5.08 0.29 -1.57 114.58 118.33 1s6i h GLU 103 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1s6i h GLU 103 Cb 0.45 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s6i h GLU 103 CO 0.08 0.25 -0.06 0.82 -1.00 0.00 0.00 179.01 179.11 1s6i h ILE 104 N 0.17 0.00 -0.64 3.13 1.08 -0.80 -2.22 117.51 118.22 1s6i h ILE 104 Ca 0.04 -0.39 0.16 0.00 -0.39 0.00 0.00 64.86 64.28 1s6i h ILE 104 Cb 0.22 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.94 1s6i h ILE 104 CO 0.01 0.00 0.45 1.56 -0.69 0.00 0.00 178.15 179.48 1s6i h GLN 105 N -0.55 0.18 -0.05 2.37 4.20 -0.47 -1.00 115.11 119.80 1s6i h GLN 105 Ca -0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1s6i h GLN 105 Cb 0.12 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1s6i h GLN 105 CO 0.03 0.12 -0.20 0.37 -0.67 0.00 0.00 178.83 178.47 1s6i h GLN 106 N 0.19 0.22 0.00 1.46 5.75 -1.40 -2.85 115.11 118.47 1s6i h GLN 106 Ca 0.31 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1s6i h GLN 106 Cb 0.96 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1s6i h GLN 106 CO -0.05 0.82 0.00 0.00 -2.65 0.00 0.00 178.83 176.94 1s6i n ALA 107 N -2.48 1.65 -2.65 3.38 0.00 -0.46 -2.08 120.51 117.87 1s6i n ALA 107 Ca -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1s6i n ALA 107 Cb 0.44 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.81 1s6i n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h LYS 109 N 2.46 0.00 -0.00 0.00 3.64 -1.19 -1.28 116.57 120.20 1s6i h LYS 109 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1s6i h LYS 109 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1s6i h LYS 109 CO 0.30 0.11 -0.04 -3.47 -2.27 0.00 0.00 179.45 174.08 1s6i n ASP 110 N -3.39 0.11 -1.01 4.20 2.03 -1.26 -3.18 116.55 114.05 1s6i n ASP 110 Ca -0.01 -0.10 0.06 0.00 0.52 0.00 0.00 54.79 55.26 1s6i n ASP 110 Cb 0.29 -0.26 0.21 0.00 -0.72 0.00 0.00 41.12 40.64 1s6i n ASP 110 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1s6i n PHE 111 N -1.28 0.85 -2.71 -0.67 3.01 -0.48 -4.88 117.46 111.30 1s6i n PHE 111 Ca 0.12 -0.34 -0.08 0.00 1.01 0.00 0.00 57.45 58.16 1s6i n PHE 111 Cb 0.27 -0.15 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1s6i n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s6i n GLY 112 N 0.83 0.34 2.63 1.37 0.00 -1.19 -4.85 105.19 104.32 1s6i n GLY 112 Ca 0.15 -0.40 -0.48 0.00 0.00 0.00 0.00 46.02 45.29 1s6i n GLY 112 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6i n LEU 113 N -1.85 0.79 0.00 0.99 -0.00 -1.25 -4.85 117.00 110.82 1s6i n LEU 113 Ca -0.02 0.76 -0.08 0.00 -0.00 0.00 0.00 56.01 56.67 1s6i n LEU 113 Cb 0.53 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1s6i n LEU 113 CO 0.20 -0.60 0.26 0.47 -0.00 0.00 0.00 177.39 177.72 1s6i n ASP 114 N 3.61 -1.35 -0.05 1.96 8.00 -1.26 -5.02 116.55 122.44 1s6i n ASP 114 Ca 0.27 -2.27 0.14 0.00 0.71 0.00 0.00 54.79 53.64 1s6i n ASP 114 Cb -0.04 2.34 0.54 0.00 -0.02 0.00 0.00 41.12 43.94 1s6i n ASP 114 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1s6i n ASP 115 N -1.56 0.30 -0.03 -2.24 5.75 -1.26 -2.24 116.55 115.27 1s6i n ASP 115 Ca -0.03 -0.13 -0.01 0.00 -0.01 0.00 0.00 54.79 54.61 1s6i n ASP 115 Cb 0.43 -0.15 -0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1s6i h ILE 116 N 0.23 0.00 0.00 2.12 1.08 -1.96 -3.40 117.51 115.58 1s6i h ILE 116 Ca 0.00 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1s6i h ILE 116 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1s6i h ILE 116 CO 0.00 0.00 -0.09 1.41 -0.69 0.00 0.00 178.15 178.78 1s6i n HIS 117 N -3.47 0.12 0.29 1.37 8.25 -1.26 -3.86 115.22 116.66 1s6i n HIS 117 Ca -0.01 0.05 0.15 0.00 -0.26 0.00 0.00 57.72 57.65 1s6i n HIS 117 Cb 0.05 -0.28 0.74 0.00 1.12 0.00 0.00 29.99 31.62 1s6i n HIS 117 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1s6i h ILE 118 N -0.15 0.06 0.16 1.59 1.08 -1.89 0.26 117.51 118.62 1s6i h ILE 118 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1s6i h ILE 118 Cb 0.09 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1s6i h ILE 118 CO 0.00 0.00 -0.08 -0.78 -0.69 0.00 0.00 178.15 176.60 1s6i h ASP 119 N 0.00 -0.18 0.00 1.72 1.82 -1.65 -2.59 116.42 115.54 1s6i h ASP 119 Ca 0.04 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1s6i h ASP 119 Cb 0.86 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1s6i h ASP 119 CO -0.00 0.24 0.07 0.44 -1.61 0.00 0.00 179.24 178.38 1s6i h ASP 120 N -0.96 0.00 -0.17 2.28 3.32 -1.44 0.12 116.42 119.57 1s6i h ASP 120 Ca -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1s6i h ASP 120 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1s6i h ASP 120 CO 0.04 0.00 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.48 1s6i h MET 121 N 0.00 0.33 -0.94 3.56 4.05 -0.44 1.81 114.93 123.30 1s6i h MET 121 Ca 0.00 -0.13 0.22 0.00 -0.28 0.00 0.00 59.70 59.51 1s6i h MET 121 Cb 0.13 -0.02 -0.12 0.00 -0.80 0.00 0.00 31.60 30.80 1s6i h MET 121 CO 0.00 0.60 0.49 0.82 0.23 0.00 0.00 176.91 179.05 1s6i h ILE 122 N 0.03 0.53 0.00 1.77 2.04 -0.34 1.36 117.51 122.91 1s6i h ILE 122 Ca 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s6i h ILE 122 Cb 0.48 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1s6i h ILE 122 CO 0.02 0.09 -0.73 0.11 0.00 0.00 0.00 178.15 177.64 1s6i h LYS 123 N 0.51 0.00 0.00 2.37 1.79 -1.42 -0.99 116.57 118.84 1s6i h LYS 123 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1s6i h LYS 123 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1s6i h LYS 123 CO -0.49 0.00 0.00 1.49 -1.08 0.00 0.00 179.45 179.37 1s6i h GLU 124 N 0.00 0.00 0.00 3.15 4.57 1.24 -3.32 114.58 120.23 1s6i h GLU 124 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1s6i h GLU 124 Cb 0.99 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1s6i h GLU 124 CO 0.00 0.00 -1.20 -0.89 -1.18 0.00 0.00 179.01 175.74 1s6i n ILE 125 N -2.51 0.20 -1.54 2.32 5.41 0.15 -4.93 119.36 118.46 1s6i n ILE 125 Ca 0.04 -0.11 -0.22 0.00 1.00 0.00 0.00 62.75 63.46 1s6i n ILE 125 Cb 0.38 -0.80 -0.09 0.00 -0.71 0.00 0.00 39.64 38.41 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6i n ASP 126 N -2.31 1.30 -0.01 4.38 2.03 -0.38 -4.73 116.55 116.84 1s6i n ASP 126 Ca -0.05 -0.97 0.13 0.00 0.52 0.00 0.00 54.79 54.42 1s6i n ASP 126 Cb 0.58 -1.41 0.50 0.00 -0.72 0.00 0.00 41.12 40.08 1s6i n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6i n GLN 127 N 8.32 0.09 0.00 -0.67 6.02 -1.26 -4.47 117.38 125.41 1s6i n GLN 127 Ca 0.49 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1s6i n GLN 127 Cb 0.38 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1s6i n ASP 128 N -1.43 2.06 0.00 1.08 5.75 -1.26 -4.01 116.55 118.73 1s6i n ASP 128 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1s6i n ASP 128 Cb 0.33 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1s6i n ASN 129 N -1.17 0.00 -0.87 -1.12 2.04 -1.26 -5.04 115.26 107.84 1s6i n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1s6i n ASN 129 Cb 0.21 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.46 1s6i n ASN 129 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1s6i n ASP 130 N -0.56 0.51 -3.51 0.53 8.00 -1.26 -4.68 116.55 115.57 1s6i n ASP 130 Ca 0.00 -0.41 -0.26 0.00 0.71 0.00 0.00 54.79 54.83 1s6i n ASP 130 Cb 0.00 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6i n GLY 131 N 0.77 -0.51 3.26 0.44 0.00 -1.26 -4.42 105.19 103.46 1s6i n GLY 131 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1s6i n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s6i s GLN 132 N -6.20 1.19 -0.13 1.61 -2.07 -1.26 -1.53 119.66 111.27 1s6i s GLN 132 Ca 0.50 -1.60 0.02 0.00 -1.82 0.00 0.00 55.36 52.47 1s6i s GLN 132 Cb -0.24 -0.22 0.01 0.00 -1.09 0.00 0.00 33.01 31.47 1s6i s GLN 132 CO 0.62 -0.19 -0.20 0.42 -1.32 0.00 0.00 175.29 174.61 1s6i s ILE 133 N -3.72 1.89 0.34 3.63 1.01 0.22 -3.84 121.20 120.74 1s6i s ILE 133 Ca 0.29 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1s6i s ILE 133 Cb 0.07 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1s6i s ILE 133 CO 0.07 0.52 0.36 -1.81 0.00 0.00 0.00 174.94 174.08 1s6i s ASP 134 N 0.85 5.52 0.61 3.58 1.11 -1.26 0.20 116.67 127.28 1s6i s ASP 134 Ca -0.07 -0.40 0.27 0.00 0.18 0.00 0.00 52.55 52.53 1s6i s ASP 134 Cb -0.15 -1.03 1.34 0.00 1.07 0.00 0.00 42.92 44.15 1s6i s ASP 134 CO -0.02 -0.41 1.76 0.22 1.18 0.00 0.00 175.17 177.90 1s6i h TYR 135 N 1.10 0.00 0.06 4.23 3.20 -1.18 0.89 116.97 125.27 1s6i h TYR 135 Ca -0.45 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.27 1s6i h TYR 135 Cb 1.26 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.54 1s6i h TYR 135 CO 0.49 0.00 -0.65 0.78 -1.64 0.00 0.00 178.16 177.14 1s6i h GLY 136 N 0.00 0.37 0.66 1.82 0.00 -1.84 -2.83 103.07 101.24 1s6i h GLY 136 Ca 0.21 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1s6i h GLY 136 CO -0.00 0.67 -0.32 0.83 0.00 0.00 0.00 176.54 177.72 1s6i h GLU 137 N -0.29 -0.86 -0.53 4.80 5.08 0.33 -0.40 114.58 122.71 1s6i h GLU 137 Ca -0.10 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1s6i h GLU 137 Cb 1.43 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1s6i h GLU 137 CO 0.12 -0.57 0.36 0.35 -1.00 0.00 0.00 179.01 178.27 1s6i h PHE 138 N -0.96 0.31 0.00 4.33 3.57 -1.02 0.39 116.94 123.56 1s6i h PHE 138 Ca -0.09 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1s6i h PHE 138 Cb 0.68 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1s6i h PHE 138 CO 0.06 0.15 -0.27 0.00 -2.23 0.00 0.00 178.31 176.01 1s6i h ALA 139 N 1.73 0.86 0.00 2.41 0.00 -1.44 -3.30 119.26 119.52 1s6i h ALA 139 Ca 0.25 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1s6i h ALA 139 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1s6i h ALA 139 CO -0.06 0.34 -1.15 0.00 0.00 0.00 0.00 179.25 178.38 1s6i h ALA 140 N 1.73 0.23 -0.32 0.00 0.00 0.90 -3.01 119.26 118.78 1s6i h ALA 140 Ca -0.00 -1.12 0.09 0.00 0.00 0.00 0.00 54.91 53.88 1s6i h ALA 140 Cb 1.10 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1s6i h ALA 140 CO 0.04 0.67 0.61 0.00 0.00 0.00 0.00 179.25 180.57 1s6i h MET 141 N -1.00 0.00 0.00 0.00 3.00 -0.49 1.19 114.93 117.63 1s6i h MET 141 Ca -0.30 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.38 1s6i h MET 141 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 1s6i h MET 141 CO -0.18 0.00 -1.86 -1.33 0.00 0.00 0.00 176.91 173.54 1s6i n MET 142 N -3.18 0.59 -2.38 -0.10 2.81 -1.24 -4.52 117.12 109.10 1s6i n MET 142 Ca 0.06 -0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.62 1s6i n MET 142 Cb 0.74 -1.44 0.02 0.00 -0.71 0.00 0.00 33.22 31.84 1s6i n MET 142 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s6i n ARG 143 N -2.17 2.86 0.36 0.03 1.74 0.23 -4.88 116.66 114.83 1s6i n ARG 143 Ca -0.05 -3.98 -0.17 0.00 -0.77 0.00 0.00 57.85 52.88 1s6i n ARG 143 Cb 0.51 -2.00 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 1s6i n ARG 143 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1s6i h LYS 144 N 2.45 -0.87 -0.84 5.56 1.57 0.82 -2.73 116.57 122.53 1s6i h LYS 144 Ca 0.18 0.06 0.24 0.00 -1.87 0.00 0.00 60.65 59.27 1s6i h LYS 144 Cb 1.31 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 1s6i h LYS 144 CO 0.61 -0.55 0.84 -0.09 -0.57 0.00 0.00 179.45 179.69 1s6i h ARG 145 N -1.05 0.00 -5.09 3.15 1.12 -1.90 -3.18 114.38 107.44 1s6i h ARG 145 Ca -0.09 0.00 -0.69 0.00 -1.11 0.00 0.00 59.98 58.08 1s6i h ARG 145 Cb 0.73 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.62 1s6i h ARG 145 CO 0.15 0.00 2.52 1.17 -3.11 0.00 0.00 179.97 180.70 1s6i n LYS 146 N -3.64 3.09 0.00 0.20 4.81 -1.03 -4.75 118.16 116.84 1s6i n LYS 146 Ca 0.18 -3.05 0.02 0.00 -0.87 0.00 0.00 58.31 54.59 1s6i n LYS 146 Cb 1.12 -3.40 0.11 0.00 0.02 0.00 0.00 35.03 32.88 1s6i n LYS 146 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s6i n GLY 147 N 4.82 -0.36 3.31 3.14 0.00 -1.20 -4.78 105.19 110.12 1s6i n GLY 147 Ca 0.50 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 1s6i n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6i n ASN 148 N -1.22 -2.95 0.00 1.61 5.03 -1.26 -4.79 115.26 111.68 1s6i n ASN 148 Ca 0.02 0.44 0.04 0.00 0.87 0.00 0.00 54.58 55.95 1s6i n ASN 148 Cb 0.03 -1.05 0.21 0.00 -1.02 0.00 0.00 39.78 37.95 1s6i n ASN 148 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s6i n GLY 149 N 2.20 -0.51 0.00 7.41 0.00 -1.26 -2.84 105.19 110.19 1s6i n GLY 149 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1s6i n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6i n GLY 150 N -0.58 -0.54 3.39 -0.02 0.00 -1.26 -4.75 105.19 101.42 1s6i n GLY 150 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1s6i n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s6i s ILE 151 N -2.52 1.37 0.00 -0.61 2.07 -1.13 -5.00 121.20 115.39 1s6i s ILE 151 Ca 0.09 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1s6i s ILE 151 Cb 0.06 -2.18 0.00 0.00 0.13 0.00 0.00 42.46 40.47 1s6i s ILE 151 CO 0.13 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1s6i n GLY 152 N 0.73 0.00 3.74 1.50 0.00 -1.26 -5.09 105.19 104.80 1s6i n GLY 152 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1s6i n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6i s ARG 153 N -0.14 0.97 0.47 1.61 6.06 -1.26 -4.71 118.95 121.95 1s6i s ARG 153 Ca 0.00 0.46 -0.22 0.00 -2.50 0.00 0.00 55.73 53.47 1s6i s ARG 153 Cb 0.00 -1.80 -0.08 0.00 0.06 0.00 0.00 34.95 33.12 1s6i s ARG 153 CO 0.00 -2.35 1.07 0.50 -2.50 0.00 0.00 175.30 172.02 1s6i s ARG 154 N -5.12 3.83 0.50 5.12 3.52 -1.26 -4.88 118.95 120.67 1s6i s ARG 154 Ca 0.64 1.50 0.11 0.00 -0.13 0.00 0.00 55.73 57.85 1s6i s ARG 154 Cb -0.16 -2.25 0.60 0.00 -1.56 0.00 0.00 34.95 31.58 1s6i s ARG 154 CO 0.55 -0.43 1.26 1.79 -0.81 0.00 0.00 175.30 177.66 1s6i h THR 155 N 1.73 0.00 0.00 4.11 1.35 -1.97 0.01 112.91 118.15 1s6i h THR 155 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1s6i h THR 155 Cb 1.23 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1s6i h THR 155 CO 0.60 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.10 1s6i n MET 156 N -2.32 0.72 -0.43 4.72 2.81 -1.26 -3.87 117.12 117.49 1s6i n MET 156 Ca -0.01 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.82 1s6i n MET 156 Cb 0.61 -1.12 0.03 0.00 -0.71 0.00 0.00 33.22 32.04 1s6i n MET 156 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1s6i n ARG 157 N -0.29 1.32 -0.34 0.03 -4.01 -0.01 -4.59 116.66 108.76 1s6i n ARG 157 Ca 0.00 -0.70 -0.29 0.00 -1.04 0.00 0.00 57.85 55.82 1s6i n ARG 157 Cb 0.06 -1.28 0.27 0.00 -3.04 0.00 0.00 32.46 28.47 1s6i n ARG 157 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1s6i n LYS 158 N 0.42 -3.87 -1.56 2.89 5.02 -1.25 -4.92 118.16 114.90 1s6i n LYS 158 Ca 0.14 -1.14 -0.37 0.00 -2.02 0.00 0.00 58.31 54.92 1s6i n LYS 158 Cb 0.68 -1.93 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 1s6i n LYS 158 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1s6i n THR 159 N -5.43 3.76 -1.54 -0.18 -1.04 -1.26 -4.77 114.28 103.82 1s6i n THR 159 Ca 0.09 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.05 61.29 1s6i n THR 159 Cb 0.56 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.80 1s6i n THR 159 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1s6i n LEU 160 N -1.37 1.86 -3.16 -4.42 7.94 -1.26 -4.82 117.00 111.78 1s6i n LEU 160 Ca 0.14 -0.48 -0.17 0.00 -1.11 0.00 0.00 56.01 54.39 1s6i n LEU 160 Cb 0.48 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.91 1s6i n LEU 160 CO 0.48 -1.52 -0.14 0.20 -1.11 0.00 0.00 177.39 175.30 1s6i s ASN 161 N 11.39 0.32 0.00 1.96 0.01 -1.26 -5.01 114.94 122.35 1s6i s ASN 161 Ca 1.05 -2.42 -0.00 0.00 -0.71 0.00 0.00 52.86 50.78 1s6i s ASN 161 Cb -0.37 0.54 -0.00 0.00 0.41 0.00 0.00 41.25 41.83 1s6i s ASN 161 CO 0.29 -0.14 -0.00 0.18 -1.51 0.00 0.00 177.10 175.92 1s6i n LEU 162 N 3.03 0.06 -3.57 0.60 7.99 -1.26 -5.04 117.00 118.80 1s6i n LEU 162 Ca 0.24 0.01 -0.28 0.00 -0.01 0.00 0.00 56.01 55.97 1s6i n LEU 162 Cb 0.51 -0.12 -0.16 0.00 -0.11 0.00 0.00 43.42 43.54 1s6i n LEU 162 CO 0.04 -0.51 -0.33 -0.13 -1.51 0.00 0.00 177.39 174.96 1s6i s ARG 163 N -1.05 0.14 -0.09 3.23 0.52 -1.26 -5.13 118.95 115.32 1s6i s ARG 163 Ca -0.00 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1s6i s ARG 163 Cb 0.00 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1s6i s ARG 163 CO 0.00 -0.87 -0.21 0.34 0.02 0.00 0.00 175.30 174.59 1s6i s ASP 164 N 2.11 2.72 -0.08 0.23 2.15 -1.26 -5.11 116.67 117.44 1s6i s ASP 164 Ca 0.06 -0.49 -0.30 0.00 0.43 0.00 0.00 52.55 52.26 1s6i s ASP 164 Cb -0.16 -1.22 -0.02 0.00 -0.30 0.00 0.00 42.92 41.21 1s6i s ASP 164 CO -0.25 0.13 1.14 0.00 -0.17 0.00 0.00 175.17 176.02 1s6i s ALA 165 N 0.41 3.48 0.00 3.66 0.00 -1.26 -4.86 121.76 123.19 1s6i s ALA 165 Ca -0.17 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1s6i s ALA 165 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1s6i s ALA 165 CO 0.07 -0.74 0.00 1.47 0.00 0.00 0.00 175.76 176.56 1s6i n LEU 166 N 5.23 0.00 0.00 0.00 -0.00 -1.26 -5.10 117.00 115.87 1s6i n LEU 166 Ca 0.10 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1s6i n LEU 166 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1s6i n LEU 166 CO 0.54 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.54 1s6i n GLY 167 N 0.70 -0.31 3.23 1.47 0.00 -1.26 -5.10 105.19 103.92 1s6i n GLY 167 Ca 0.00 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 1s6i n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6i s LEU 168 N 0.00 4.89 -0.03 0.99 1.43 -1.26 -5.08 118.68 119.61 1s6i s LEU 168 Ca 0.00 -1.51 0.01 0.00 -1.03 0.00 0.00 54.13 51.60 1s6i s LEU 168 Cb 0.00 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1s6i s LEU 168 CO 0.00 -0.47 -0.05 0.54 0.23 0.00 0.00 176.35 176.60 1s6i s VAL 169 N 1.35 3.85 0.21 -1.59 0.11 -1.26 -5.09 120.40 117.98 1s6i s VAL 169 Ca 0.02 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 1s6i s VAL 169 Cb -0.22 -2.64 -0.09 0.00 -1.53 0.00 0.00 36.38 31.90 1s6i s VAL 169 CO 0.01 0.49 1.34 1.51 -3.33 0.00 0.00 175.10 175.12 1s6i s ASP 170 N -1.15 6.84 -0.24 3.54 -4.77 -1.26 -4.94 116.67 114.69 1s6i s ASP 170 Ca 0.15 2.46 -0.04 0.00 -3.30 0.00 0.00 52.55 51.83 1s6i s ASP 170 Cb -0.11 -2.61 -0.13 0.00 -1.09 0.00 0.00 42.92 38.97 1s6i s ASP 170 CO 0.05 -0.56 -0.25 -3.20 0.70 0.00 0.00 175.17 171.90 1s6i n ASN 171 N 2.53 2.01 -4.77 2.11 2.85 -1.26 -4.98 115.26 113.75 1s6i n ASN 171 Ca 0.06 0.05 -0.41 0.00 -0.11 0.00 0.00 54.58 54.17 1s6i n ASN 171 Cb 0.42 -0.52 -0.01 0.00 1.24 0.00 0.00 39.78 40.91 1s6i n ASN 171 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1s6i s GLY 172 N -5.93 2.77 0.03 8.20 0.00 -1.26 -5.02 107.32 106.12 1s6i s GLY 172 Ca -0.33 1.47 0.00 0.00 0.00 0.00 0.00 44.72 45.86 1s6i s GLY 172 CO 0.50 2.21 0.02 -1.14 0.00 0.00 0.00 173.10 174.69 1s6i n SER 173 N 1.01 0.75 0.00 1.64 3.41 -1.26 -5.09 113.62 114.07 1s6i n SER 173 Ca 0.02 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1s6i n SER 173 Cb 0.40 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1s6i n SER 173 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1s6i n ASN 174 N -2.20 0.37 -2.65 4.04 5.15 -1.26 -5.14 115.26 113.58 1s6i n ASN 174 Ca -0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1s6i n ASN 174 Cb 0.05 0.01 -0.05 0.00 -0.53 0.00 0.00 39.78 39.27 1s6i n ASN 174 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6i n GLN 175 N -1.37 0.43 -3.27 1.20 6.02 -1.26 -5.14 117.38 113.99 1s6i n GLN 175 Ca 0.00 -2.16 -0.38 0.00 -0.01 0.00 0.00 57.00 54.45 1s6i n GLN 175 Cb 0.04 1.53 -0.06 0.00 1.02 0.00 0.00 30.24 32.78 1s6i n GLN 175 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1s6i s VAL 176 N -2.73 4.99 -0.28 5.09 -7.23 -1.26 -5.06 120.40 113.92 1s6i s VAL 176 Ca 0.21 1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 61.47 1s6i s VAL 176 Cb 0.01 -3.88 0.03 0.00 0.56 0.00 0.00 36.38 33.11 1s6i s VAL 176 CO 0.15 0.42 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.72 1s6i s ILE 177 N -0.13 3.12 0.18 -0.62 1.01 -1.26 -5.10 121.20 118.40 1s6i s ILE 177 Ca 0.29 -1.11 0.11 0.00 0.00 0.00 0.00 60.65 59.94 1s6i s ILE 177 Cb -0.17 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1s6i s ILE 177 CO 0.15 0.05 -0.23 -1.61 0.00 0.00 0.00 174.94 173.30 1s6i s GLU 178 N 1.33 1.44 0.89 2.79 0.41 -1.26 -5.14 118.70 119.17 1s6i s GLU 178 Ca -0.02 -1.46 -0.12 0.00 -0.41 0.00 0.00 54.97 52.96 1s6i s GLU 178 Cb -0.18 -1.75 0.13 0.00 -1.78 0.00 0.00 34.13 30.55 1s6i s GLU 178 CO -0.02 0.38 1.09 0.20 -0.49 0.00 0.00 175.26 176.43 1s6i s GLY 179 N -2.55 1.61 -0.11 -1.39 0.00 -1.26 -5.05 107.32 98.58 1s6i s GLY 179 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.81 1s6i s GLY 179 CO 0.08 0.36 -0.22 -0.47 0.00 0.00 0.00 173.10 172.85 1s6i s TYR 180 N -2.98 2.60 0.00 1.90 5.04 -1.26 -5.13 117.35 117.52 1s6i s TYR 180 Ca 0.63 -1.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1s6i s TYR 180 Cb -0.17 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1s6i s TYR 180 CO 0.56 -0.40 0.00 1.97 -1.34 0.00 0.00 175.55 176.34 1s6i n PHE 181 N 3.55 -3.11 -0.02 4.97 1.16 -1.26 -5.25 117.46 117.49 1s6i n PHE 181 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.39 1s6i n PHE 181 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1s6i n PHE 181 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25