#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i s GLU 2 N 0.00 4.06 0.10 0.00 2.56 -1.26 -5.05 118.70 119.11 1s6i s GLU 2 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 54.97 54.56 1s6i s GLU 2 Cb 0.00 -3.57 0.08 0.00 2.00 0.00 0.00 34.13 32.63 1s6i s GLU 2 CO 0.00 -0.04 0.85 -0.98 -0.56 0.00 0.00 175.26 174.53 1s6i s ARG 3 N 1.35 1.11 -0.37 4.30 1.70 -1.26 -5.14 118.95 120.64 1s6i s ARG 3 Ca 0.11 -0.51 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 1s6i s ARG 3 Cb -0.14 0.44 0.18 0.00 -0.57 0.00 0.00 34.95 34.86 1s6i s ARG 3 CO 0.07 -0.50 0.78 -1.17 -1.08 0.00 0.00 175.30 173.40 1s6i s LEU 4 N -2.72 -1.10 0.32 -1.89 2.96 -1.26 -5.17 118.68 109.83 1s6i s LEU 4 Ca 0.07 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1s6i s LEU 4 Cb -0.02 1.43 -0.05 0.00 0.50 0.00 0.00 46.19 48.06 1s6i s LEU 4 CO -0.05 -0.13 0.09 -0.94 -1.32 0.00 0.00 176.35 174.00 1s6i s SER 5 N 1.99 2.10 0.55 3.68 1.04 -1.26 -5.14 113.70 116.66 1s6i s SER 5 Ca 0.16 -1.45 -0.20 0.00 0.48 0.00 0.00 55.95 54.93 1s6i s SER 5 Cb -0.02 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1s6i s SER 5 CO -0.11 -0.72 1.23 -1.61 0.98 0.00 0.00 173.24 173.01 1s6i s GLU 6 N -3.89 3.22 -0.13 4.02 0.41 -1.26 -4.96 118.70 116.11 1s6i s GLU 6 Ca 0.34 1.89 -0.12 0.00 -0.41 0.00 0.00 54.97 56.68 1s6i s GLU 6 Cb 0.07 -2.12 -0.25 0.00 -1.78 0.00 0.00 34.13 30.05 1s6i s GLU 6 CO 0.15 -1.03 0.39 1.05 -0.49 0.00 0.00 175.26 175.34 1s6i h GLU 7 N 1.31 0.21 0.03 1.61 4.11 -2.02 -2.61 114.58 117.22 1s6i h GLU 7 Ca -0.50 -0.37 -0.19 0.00 0.07 0.00 0.00 59.36 58.37 1s6i h GLU 7 Cb 1.28 0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.69 1s6i h GLU 7 CO 0.57 1.17 -0.77 1.49 0.07 0.00 0.00 179.01 181.54 1s6i h GLU 8 N -0.24 0.47 -0.07 1.06 4.57 -1.97 -3.34 114.58 115.07 1s6i h GLU 8 Ca -0.38 -0.55 -0.15 0.00 -1.18 0.00 0.00 59.36 57.11 1s6i h GLU 8 Cb 1.83 0.16 0.01 0.00 -0.16 0.00 0.00 28.75 30.59 1s6i h GLU 8 CO 0.02 1.19 -0.53 0.82 -1.18 0.00 0.00 179.01 179.33 1s6i h ILE 9 N -0.00 1.38 -3.60 2.32 5.03 -1.98 -3.43 117.51 117.23 1s6i h ILE 9 Ca -0.10 -1.89 -0.67 0.00 -0.12 0.00 0.00 64.86 62.07 1s6i h ILE 9 Cb 1.48 2.30 -0.26 0.00 -3.03 0.00 0.00 36.82 37.31 1s6i h ILE 9 CO 0.15 0.56 -0.63 -0.83 -0.68 0.00 0.00 178.15 176.73 1s6i s GLY 10 N -3.96 1.78 0.00 5.37 0.00 -0.98 -4.61 107.32 104.92 1s6i s GLY 10 Ca -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1s6i s GLY 10 CO 0.83 0.63 0.00 0.61 0.00 0.00 0.00 173.10 175.17 1s6i n GLY 11 N 4.87 0.31 0.13 0.20 0.00 -1.26 -4.15 105.19 105.29 1s6i n GLY 11 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1s6i n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6i h LEU 12 N 0.00 0.42 -1.20 0.99 5.85 -1.86 0.87 115.31 120.37 1s6i h LEU 12 Ca 0.00 -0.76 -0.07 0.00 0.84 0.00 0.00 57.88 57.89 1s6i h LEU 12 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1s6i h LEU 12 CO 0.00 1.66 -0.25 0.07 -0.34 0.00 0.00 178.44 179.58 1s6i h LYS 13 N 0.07 0.23 0.10 1.25 2.10 -1.96 0.13 116.57 118.49 1s6i h LYS 13 Ca -0.35 -0.07 -0.27 0.00 -2.00 0.00 0.00 60.65 57.95 1s6i h LYS 13 Cb 2.05 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 33.37 1s6i h LYS 13 CO 0.13 0.47 -1.17 1.49 -2.00 0.00 0.00 179.45 178.37 1s6i h GLU 14 N 0.21 0.43 -0.83 0.07 4.81 -1.98 -3.16 114.58 114.12 1s6i h GLU 14 Ca 0.03 -0.59 0.12 0.00 -0.13 0.00 0.00 59.36 58.79 1s6i h GLU 14 Cb 0.57 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 1s6i h GLU 14 CO 0.04 1.24 0.45 1.25 -0.73 0.00 0.00 179.01 181.26 1s6i h LEU 15 N 0.18 0.60 -0.71 1.64 5.85 0.57 0.51 115.31 123.95 1s6i h LEU 15 Ca -0.14 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.78 1s6i h LEU 15 Cb 1.85 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.75 1s6i h LEU 15 CO 0.21 0.31 0.25 0.15 -0.34 0.00 0.00 178.44 179.02 1s6i h PHE 16 N 0.71 0.43 0.00 1.25 3.57 -0.76 0.88 116.94 123.01 1s6i h PHE 16 Ca 0.42 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.96 1s6i h PHE 16 Cb 0.49 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1s6i h PHE 16 CO -0.08 0.04 -0.31 0.36 -2.23 0.00 0.00 178.31 176.09 1s6i n LYS 17 N -5.03 0.14 0.06 1.11 2.85 -0.33 -2.87 118.16 114.09 1s6i n LYS 17 Ca 0.13 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.58 1s6i n LYS 17 Cb 0.38 -1.62 0.29 0.00 -0.65 0.00 0.00 35.03 33.43 1s6i n LYS 17 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1s6i n MET 18 N -1.84 0.22 -0.01 -1.58 1.56 0.17 -3.81 117.12 111.83 1s6i n MET 18 Ca 0.05 0.10 -0.12 0.00 -0.27 0.00 0.00 57.70 57.47 1s6i n MET 18 Cb 0.39 -1.68 -0.09 0.00 2.15 0.00 0.00 33.22 33.99 1s6i n MET 18 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1s6i h ILE 19 N 0.00 1.21 -0.19 1.12 1.08 0.63 -3.29 117.51 118.06 1s6i h ILE 19 Ca 0.00 -1.51 -0.27 0.00 -0.39 0.00 0.00 64.86 62.69 1s6i h ILE 19 Cb 0.69 2.11 -0.08 0.00 -3.07 0.00 0.00 36.82 36.46 1s6i h ILE 19 CO 0.00 0.34 -0.02 -0.90 -0.69 0.00 0.00 178.15 176.89 1s6i n ASP 20 N -4.80 5.65 0.00 1.72 5.75 -1.25 -3.87 116.55 119.75 1s6i n ASP 20 Ca -0.08 -2.61 0.01 0.00 -0.01 0.00 0.00 54.79 52.10 1s6i n ASP 20 Cb 0.31 -1.39 0.07 0.00 -1.03 0.00 0.00 41.12 39.08 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1s6i n THR 21 N 2.27 1.23 0.00 2.12 5.66 -1.24 -2.05 114.28 122.27 1s6i n THR 21 Ca 0.46 0.31 0.00 0.00 -3.05 0.00 0.00 64.05 61.77 1s6i n THR 21 Cb 0.82 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 -1.34 0.13 0.00 1.09 5.75 -1.26 -5.02 116.55 115.90 1s6i n ASP 22 Ca 0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1s6i n ASP 22 Cb 0.03 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.32 0.00 -0.02 -1.12 5.15 -0.87 -5.06 115.26 113.03 1s6i n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s6i n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s6i n SER 24 N 0.00 0.00 0.00 1.20 3.41 -1.25 -4.98 113.62 112.00 1s6i n SER 24 Ca 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 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 1.76 3.17 5.00 0.00 -1.26 -5.12 105.19 108.74 1s6i n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.03 -0.44 2.61 -4.23 -1.26 -4.83 115.64 105.51 1s6i s THR 26 Ca 0.00 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 1s6i s THR 26 Cb 0.00 -0.45 0.08 0.00 1.34 0.00 0.00 72.50 73.46 1s6i s THR 26 CO 0.00 -0.13 0.32 -0.63 -0.54 0.00 0.00 174.62 173.64 1s6i s ILE 27 N -0.49 4.63 0.31 2.99 1.01 0.24 -4.57 121.20 125.32 1s6i s ILE 27 Ca -0.06 -1.28 0.07 0.00 0.00 0.00 0.00 60.65 59.38 1s6i s ILE 27 Cb -0.04 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1s6i s ILE 27 CO 0.02 -0.54 0.37 0.42 0.00 0.00 0.00 174.94 175.20 1s6i s THR 28 N 1.51 4.23 0.30 2.92 -4.23 -1.26 0.23 115.64 119.34 1s6i s THR 28 Ca 0.03 -1.13 0.21 0.00 -1.18 0.00 0.00 61.69 59.62 1s6i s THR 28 Cb -0.24 -3.45 0.33 0.00 1.34 0.00 0.00 72.50 70.48 1s6i s THR 28 CO 0.04 -0.22 1.13 0.33 -0.54 0.00 0.00 174.62 175.35 1s6i n PHE 29 N -1.47 0.61 -0.02 3.99 7.35 -1.06 0.12 117.46 126.98 1s6i n PHE 29 Ca -0.03 0.62 -0.16 0.00 -0.76 0.00 0.00 57.45 57.12 1s6i n PHE 29 Cb 0.58 -1.03 -0.10 0.00 0.35 0.00 0.00 39.48 39.28 1s6i n PHE 29 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6i h ASP 30 N 0.00 0.40 1.28 -2.13 3.58 -1.93 -3.19 116.42 114.43 1s6i h ASP 30 Ca 0.63 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1s6i h ASP 30 Cb 1.91 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.84 1s6i h ASP 30 CO -0.40 1.06 0.00 -0.62 -2.88 0.00 0.00 179.24 176.40 1s6i n GLU 31 N -4.37 0.20 -0.12 0.28 4.71 0.27 -2.38 120.64 119.23 1s6i n GLU 31 Ca -0.09 0.20 -0.04 0.00 -0.01 0.00 0.00 57.16 57.22 1s6i n GLU 31 Cb 0.56 -1.75 0.03 0.00 -1.01 0.00 0.00 31.44 29.27 1s6i n GLU 31 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1s6i h LEU 32 N 0.00 -0.21 0.18 -4.62 6.46 0.94 -1.19 115.31 116.87 1s6i h LEU 32 Ca 0.00 0.10 -0.32 0.00 -0.12 0.00 0.00 57.88 57.54 1s6i h LEU 32 Cb 0.64 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1s6i h LEU 32 CO 0.00 -0.06 -1.59 0.07 -0.62 0.00 0.00 178.44 176.23 1s6i h LYS 33 N 0.09 0.37 -1.24 1.25 2.10 -1.68 -3.34 116.57 114.12 1s6i h LYS 33 Ca 0.20 -0.63 0.36 0.00 -2.00 0.00 0.00 60.65 58.58 1s6i h LYS 33 Cb 0.30 0.24 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 1s6i h LYS 33 CO -0.35 1.30 0.89 0.22 -2.00 0.00 0.00 179.45 179.50 1s6i h ASP 34 N -0.02 0.02 -0.67 7.07 3.58 -1.15 0.30 116.42 125.55 1s6i h ASP 34 Ca -0.32 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.06 1s6i h ASP 34 Cb 2.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.03 1s6i h ASP 34 CO 0.16 0.00 0.12 1.23 -2.88 0.00 0.00 179.24 177.87 1s6i h GLY 35 N 0.02 1.18 0.71 -0.78 0.00 -1.33 -1.31 103.07 101.55 1s6i h GLY 35 Ca 0.59 -0.78 -0.33 0.00 0.00 0.00 0.00 47.33 46.82 1s6i h GLY 35 CO -0.02 0.72 -1.91 1.04 0.00 0.00 0.00 176.54 176.37 1s6i n LEU 36 N -4.24 1.34 -0.13 3.11 7.99 0.05 -3.65 117.00 121.48 1s6i n LEU 36 Ca 0.04 0.28 -0.08 0.00 -0.01 0.00 0.00 56.01 56.24 1s6i n LEU 36 Cb 0.28 -0.18 -0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1s6i n LEU 36 CO 0.43 0.55 1.01 0.11 -1.51 0.00 0.00 177.39 177.98 1s6i h LYS 37 N 0.02 0.54 -0.36 3.23 1.57 -0.54 0.39 116.57 121.43 1s6i h LYS 37 Ca -0.37 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 1s6i h LYS 37 Cb 2.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1s6i h LYS 37 CO 0.07 0.41 -0.36 -0.09 -0.57 0.00 0.00 179.45 178.91 1s6i h ARG 38 N 0.52 0.88 0.00 3.15 2.43 -1.41 -2.99 114.38 116.96 1s6i h ARG 38 Ca 0.14 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1s6i h ARG 38 Cb 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1s6i h ARG 38 CO -0.03 1.11 0.00 1.55 -1.51 0.00 0.00 179.97 181.09 1s6i n VAL 39 N -4.12 0.81 0.00 0.20 3.14 -1.14 -4.84 118.33 112.38 1s6i n VAL 39 Ca -0.03 0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1s6i n VAL 39 Cb 0.53 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 1s6i n VAL 39 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s6i n GLY 40 N 0.15 0.69 3.34 7.55 0.00 -0.68 -5.09 105.19 111.15 1s6i n GLY 40 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.19 0.07 -0.12 1.61 0.01 0.13 -4.95 113.70 110.26 1s6i s SER 41 Ca 0.00 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 1s6i s SER 41 Cb 0.00 0.44 0.05 0.00 0.21 0.00 0.00 66.02 66.71 1s6i s SER 41 CO 0.00 -0.91 0.05 -1.83 0.41 0.00 0.00 173.24 170.96 1s6i s GLU 42 N -4.02 0.35 0.30 12.44 -1.05 -1.26 -3.85 118.70 121.60 1s6i s GLU 42 Ca 0.23 -0.03 0.07 0.00 -0.15 0.00 0.00 54.97 55.08 1s6i s GLU 42 Cb 0.04 -1.42 -0.06 0.00 -0.44 0.00 0.00 34.13 32.25 1s6i s GLU 42 CO 0.04 -0.50 -0.05 -0.51 0.95 0.00 0.00 175.26 175.20 1s6i s LEU 43 N 2.02 2.49 0.33 1.83 1.43 -1.26 -5.08 118.68 120.45 1s6i s LEU 43 Ca 0.03 -1.22 0.09 0.00 -1.03 0.00 0.00 54.13 51.99 1s6i s LEU 43 Cb -0.14 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 1s6i s LEU 43 CO -0.07 -0.36 0.08 -0.04 0.23 0.00 0.00 176.35 176.19 1s6i s MET 44 N -3.73 2.25 0.05 1.70 -1.94 -1.26 -5.01 119.30 111.35 1s6i s MET 44 Ca 0.31 -1.61 -0.18 0.00 -1.71 0.00 0.00 55.69 52.50 1s6i s MET 44 Cb 0.04 -2.08 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 1s6i s MET 44 CO 0.13 0.15 1.28 0.93 -0.01 0.00 0.00 175.02 177.50 1s6i h GLU 45 N 1.68 -0.46 -1.35 2.03 3.07 -2.00 -1.37 114.58 116.19 1s6i h GLU 45 Ca -0.43 0.03 0.39 0.00 -0.50 0.00 0.00 59.36 58.85 1s6i h GLU 45 Cb 1.25 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 29.21 1s6i h GLU 45 CO 0.64 -0.31 1.29 -1.13 -1.40 0.00 0.00 179.01 178.10 1s6i n SER 46 N -3.93 0.00 -0.06 1.42 3.41 -1.26 0.14 113.62 113.33 1s6i n SER 46 Ca -0.06 0.83 -0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1s6i n SER 46 Cb 0.23 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.71 1s6i n SER 46 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1s6i h GLU 47 N 0.00 0.02 0.29 4.33 5.08 -1.67 -2.78 114.58 119.84 1s6i h GLU 47 Ca 0.64 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1s6i h GLU 47 Cb 3.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 32.43 1s6i h GLU 47 CO -0.01 0.97 -0.48 0.82 -1.00 0.00 0.00 179.01 179.32 1s6i h ILE 48 N -0.93 0.00 -0.08 3.13 5.03 0.21 0.90 117.51 125.77 1s6i h ILE 48 Ca -0.01 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1s6i h ILE 48 Cb 0.99 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.78 1s6i h ILE 48 CO 0.01 0.00 0.17 0.50 -0.68 0.00 0.00 178.15 178.14 1s6i h LYS 49 N -0.81 0.00 0.02 2.37 3.64 -1.25 -1.01 116.57 119.53 1s6i h LYS 49 Ca -0.03 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1s6i h LYS 49 Cb 0.75 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1s6i h LYS 49 CO -0.16 0.00 -0.61 0.22 -2.27 0.00 0.00 179.45 176.63 1s6i h ASP 50 N 0.00 0.49 -0.41 4.20 3.58 -0.76 -2.26 116.42 121.26 1s6i h ASP 50 Ca 0.04 -0.80 -0.03 0.00 0.42 0.00 0.00 57.03 56.67 1s6i h ASP 50 Cb 0.37 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1s6i h ASP 50 CO -0.00 1.23 0.16 0.25 -2.88 0.00 0.00 179.24 178.00 1s6i h LEU 51 N -0.19 0.58 0.40 2.28 6.46 0.37 -1.72 115.31 123.49 1s6i h LEU 51 Ca -0.08 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1s6i h LEU 51 Cb 1.35 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1s6i h LEU 51 CO 0.12 0.60 -0.19 -0.03 -0.62 0.00 0.00 178.44 178.32 1s6i h MET 52 N 0.53 -0.52 -0.38 1.25 4.05 -1.43 0.32 114.93 118.73 1s6i h MET 52 Ca 0.14 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.70 1s6i h MET 52 Cb 0.21 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1s6i h MET 52 CO -0.01 -0.35 0.29 0.22 0.23 0.00 0.00 176.91 177.29 1s6i h ASP 53 N -0.74 0.00 0.29 1.39 1.82 -1.50 0.85 116.42 118.54 1s6i h ASP 53 Ca -0.06 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.25 1s6i h ASP 53 Cb 0.42 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 1s6i h ASP 53 CO 0.09 0.00 -1.81 0.00 -1.61 0.00 0.00 179.24 175.91 1s6i h ALA 54 N 1.78 0.46 0.00 -0.78 0.00 -1.32 -3.42 119.26 115.98 1s6i h ALA 54 Ca 0.18 -1.33 -0.34 0.00 0.00 0.00 0.00 54.91 53.42 1s6i h ALA 54 Cb 0.76 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1s6i h ALA 54 CO -0.00 1.32 -2.25 0.00 0.00 0.00 0.00 179.25 178.32 1s6i n ALA 55 N -2.81 1.52 -1.53 0.00 0.00 0.11 -4.88 120.51 112.92 1s6i n ALA 55 Ca -0.24 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 51.97 1s6i n ALA 55 Cb 1.05 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 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 -3.29 0.96 0.29 0.00 2.03 0.29 -4.70 116.55 112.13 1s6i n ASP 56 Ca -0.40 -0.56 0.11 0.00 0.52 0.00 0.00 54.79 54.47 1s6i n ASP 56 Cb 0.90 -1.23 0.61 0.00 -0.72 0.00 0.00 41.12 40.67 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s6i h ILE 57 N 7.65 0.00 -0.83 5.18 1.08 -1.87 -0.07 117.51 128.66 1s6i h ILE 57 Ca -0.08 0.00 -0.41 0.00 -0.39 0.00 0.00 64.86 63.97 1s6i h ILE 57 Cb 1.19 0.49 -0.41 0.00 -3.07 0.00 0.00 36.82 35.03 1s6i h ILE 57 CO 1.27 0.00 -0.99 0.47 -0.69 0.00 0.00 178.15 178.22 1s6i n ASP 58 N -2.62 3.01 -2.81 1.72 8.00 -1.26 -5.05 116.55 117.54 1s6i n ASP 58 Ca -0.01 -2.94 -0.13 0.00 0.71 0.00 0.00 54.79 52.41 1s6i n ASP 58 Cb 0.43 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.49 0.00 -0.20 -1.24 3.00 -0.04 -4.60 118.16 114.59 1s6i n LYS 59 Ca 0.23 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.59 1s6i n LYS 59 Cb 0.83 -0.63 0.07 0.00 0.00 0.00 0.00 35.03 35.30 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 3.42 1.39 -0.33 3.14 3.41 -1.26 -4.95 113.62 118.44 1s6i n SER 60 Ca 0.41 -2.47 -0.04 0.00 -0.26 0.00 0.00 58.87 56.51 1s6i n SER 60 Cb 0.10 -0.28 -0.01 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 -0.77 0.55 3.20 5.00 0.00 -1.26 -5.02 105.19 106.89 1s6i n GLY 61 Ca 0.08 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.16 0.09 -0.05 2.61 2.01 -1.23 -2.55 115.64 114.37 1s6i s THR 62 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1s6i s THR 62 Cb 0.00 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1s6i s THR 62 CO 0.00 -0.43 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.84 1s6i s ILE 63 N -2.32 0.44 0.38 1.82 1.01 0.62 -4.77 121.20 118.38 1s6i s ILE 63 Ca -0.07 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1s6i s ILE 63 Cb -0.02 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1s6i s ILE 63 CO -0.02 0.22 0.39 -1.81 0.00 0.00 0.00 174.94 173.72 1s6i s ASP 64 N 1.16 5.36 0.25 3.58 1.01 -1.26 -0.59 116.67 126.18 1s6i s ASP 64 Ca -0.07 -0.53 0.06 0.00 0.71 0.00 0.00 52.55 52.72 1s6i s ASP 64 Cb -0.14 -0.82 0.72 0.00 1.01 0.00 0.00 42.92 43.69 1s6i s ASP 64 CO -0.01 -0.53 1.21 0.00 0.21 0.00 0.00 175.17 176.05 1s6i n TYR 65 N -1.54 0.61 0.28 4.23 9.36 -1.26 0.31 117.16 129.15 1s6i n TYR 65 Ca 0.02 0.92 -0.12 0.00 3.32 0.00 0.00 57.90 62.04 1s6i n TYR 65 Cb 0.60 -1.15 -0.06 0.00 -0.63 0.00 0.00 39.34 38.10 1s6i n TYR 65 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 66 N 0.00 -0.80 1.28 2.98 0.00 -2.01 -2.83 103.07 101.68 1s6i h GLY 66 Ca 0.52 0.30 0.03 0.00 0.00 0.00 0.00 47.33 48.18 1s6i h GLY 66 CO -0.69 -0.29 0.33 0.83 0.00 0.00 0.00 176.54 176.72 1s6i h GLU 67 N -1.14 0.00 0.31 4.80 5.08 -1.18 -2.34 114.58 120.10 1s6i h GLU 67 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1s6i h GLU 67 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1s6i h GLU 67 CO 0.13 0.00 -0.15 0.35 -1.00 0.00 0.00 179.01 178.34 1s6i h PHE 68 N 0.00 -0.38 -0.81 4.33 3.57 -0.01 -2.84 116.94 120.80 1s6i h PHE 68 Ca 0.05 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.68 1s6i h PHE 68 Cb 0.71 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.49 1s6i h PHE 68 CO 0.00 -0.24 0.40 0.82 -2.23 0.00 0.00 178.31 177.06 1s6i h ILE 69 N -0.60 0.73 -0.97 1.41 1.08 -1.19 0.22 117.51 118.19 1s6i h ILE 69 Ca -0.04 -0.20 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1s6i h ILE 69 Cb 0.31 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.09 1s6i h ILE 69 CO 0.07 0.11 0.63 0.00 -0.69 0.00 0.00 178.15 178.26 1s6i h ALA 70 N 1.54 1.48 -0.05 1.87 0.00 -1.54 -2.00 119.26 120.55 1s6i h ALA 70 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1s6i h ALA 70 Cb 0.60 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s6i h ALA 70 CO -0.36 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.26 1s6i h ALA 71 N 1.50 0.07 -0.92 0.00 0.00 -0.71 -0.26 119.26 118.93 1s6i h ALA 71 Ca 0.43 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1s6i h ALA 71 Cb 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1s6i h ALA 71 CO -0.19 -0.31 0.59 1.79 0.00 0.00 0.00 179.25 181.14 1s6i h THR 72 N -0.12 0.97 0.00 0.00 1.35 -0.85 0.12 112.91 114.37 1s6i h THR 72 Ca 0.02 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1s6i h THR 72 Cb 0.23 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 1s6i h THR 72 CO -0.00 0.17 -0.13 0.58 -0.25 0.00 0.00 175.52 175.89 1s6i h VAL 73 N 0.93 0.00 0.00 6.82 2.07 -1.23 -1.09 116.25 123.75 1s6i h VAL 73 Ca 0.43 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1s6i h VAL 73 Cb 0.41 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1s6i h VAL 73 CO -0.19 0.00 -0.67 0.45 0.02 0.00 0.00 177.57 177.18 1s6i h HIS 74 N 0.00 0.00 -0.02 1.57 3.86 0.98 -2.94 115.15 118.61 1s6i h HIS 74 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1s6i h HIS 74 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1s6i h HIS 74 CO 0.00 0.57 -0.36 1.28 0.86 0.00 0.00 177.93 180.28 1s6i n LEU 75 N -3.20 1.94 -4.17 2.43 7.99 0.10 -4.61 117.00 117.48 1s6i n LEU 75 Ca 0.00 -0.68 -0.43 0.00 -0.01 0.00 0.00 56.01 54.89 1s6i n LEU 75 Cb 0.77 -0.02 -0.00 0.00 -0.11 0.00 0.00 43.42 44.06 1s6i n LEU 75 CO 0.42 0.35 0.88 -3.20 -1.51 0.00 0.00 177.39 174.33 1s6i n ASN 76 N 0.03 5.77 -0.14 -1.43 2.85 -0.42 -4.89 115.26 117.02 1s6i n ASN 76 Ca 0.11 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.37 1s6i n ASN 76 Cb 0.46 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.18 1s6i n ASN 76 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1s6i n LYS 77 N 2.07 0.00 -0.00 1.20 2.85 -1.26 -4.88 118.16 118.14 1s6i n LYS 77 Ca 0.25 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1s6i n LYS 77 Cb 0.37 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.93 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1s6i n LEU 78 N 0.00 0.01 -4.63 -5.58 7.99 -1.26 -4.89 117.00 108.64 1s6i n LEU 78 Ca 0.00 -0.01 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 1s6i n LEU 78 Cb 0.00 -0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.45 1s6i n LEU 78 CO 0.00 0.00 0.58 1.21 -1.51 0.00 0.00 177.39 177.68 1s6i n GLU 79 N -0.59 -0.08 -1.58 3.23 4.07 -1.26 -4.89 120.64 119.55 1s6i n GLU 79 Ca 0.05 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.78 1s6i n GLU 79 Cb 0.02 -2.31 0.01 0.00 -0.06 0.00 0.00 31.44 29.10 1s6i n GLU 79 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1s6i n ARG 80 N -3.23 1.21 0.00 5.31 5.12 -1.26 -4.95 116.66 118.86 1s6i n ARG 80 Ca 0.12 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 1s6i n ARG 80 Cb 0.51 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.32 0.00 -1.26 5.56 -0.58 -1.26 -4.81 120.64 118.60 1s6i n GLU 81 Ca 0.10 0.14 -0.06 0.00 -0.42 0.00 0.00 57.16 56.92 1s6i n GLU 81 Cb 0.38 -1.14 -0.03 0.00 -0.57 0.00 0.00 31.44 30.08 1s6i n GLU 81 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1s6i n GLU 82 N -0.92 0.23 -1.69 3.49 -0.00 -1.26 -5.13 120.64 115.36 1s6i n GLU 82 Ca 0.00 -0.98 -0.44 0.00 -0.00 0.00 0.00 57.16 55.73 1s6i n GLU 82 Cb 0.00 0.48 -0.03 0.00 -0.00 0.00 0.00 31.44 31.90 1s6i n GLU 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1s6i n ASN 83 N -0.26 3.07 0.24 -1.84 4.05 -1.26 -4.83 115.26 114.43 1s6i n ASN 83 Ca -0.25 1.13 0.15 0.00 0.45 0.00 0.00 54.58 56.06 1s6i n ASN 83 Cb 0.71 -1.46 0.80 0.00 1.23 0.00 0.00 39.78 41.06 1s6i n ASN 83 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 177.26 174.38 1s6i h LEU 84 N 4.76 0.00 -1.20 1.20 8.10 -2.00 -2.72 115.31 123.44 1s6i h LEU 84 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.54 1s6i h LEU 84 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.48 1s6i h LEU 84 CO 0.80 0.00 0.58 1.62 -4.11 0.00 0.00 178.44 177.32 1s6i h VAL 85 N 0.00 0.00 -0.92 0.15 3.04 -2.00 -2.65 116.25 113.87 1s6i h VAL 85 Ca 0.00 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.89 1s6i h VAL 85 Cb 0.12 0.40 -0.17 0.00 -2.01 0.00 0.00 31.29 29.63 1s6i h VAL 85 CO 0.00 0.00 -0.17 -0.24 -1.01 0.00 0.00 177.57 176.15 1s6i n SER 86 N -2.69 -0.28 -0.02 3.17 2.88 -1.03 -0.16 113.62 115.49 1s6i n SER 86 Ca -0.01 1.58 -0.13 0.00 -1.33 0.00 0.00 58.87 58.98 1s6i n SER 86 Cb 0.60 -0.50 -0.10 0.00 -0.75 0.00 0.00 64.21 63.46 1s6i n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6i h ALA 87 N 1.84 -0.01 -1.34 -1.46 0.00 -1.76 -2.47 119.26 114.07 1s6i h ALA 87 Ca 0.47 -0.29 0.42 0.00 0.00 0.00 0.00 54.91 55.51 1s6i h ALA 87 Cb 0.78 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1s6i h ALA 87 CO -0.93 -0.21 0.91 0.34 0.00 0.00 0.00 179.25 179.36 1s6i n PHE 88 N -4.81 0.34 -0.10 0.00 7.35 0.77 0.12 117.46 121.12 1s6i n PHE 88 Ca -0.09 0.34 -0.21 0.00 -0.76 0.00 0.00 57.45 56.74 1s6i n PHE 88 Cb 0.30 -0.75 -0.11 0.00 0.35 0.00 0.00 39.48 39.27 1s6i n PHE 88 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1s6i h SER 89 N 0.00 0.00 0.00 -2.13 0.87 -1.29 -3.30 113.55 107.70 1s6i h SER 89 Ca 0.74 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1s6i h SER 89 Cb 2.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.61 1s6i h SER 89 CO -0.23 1.43 -0.02 0.22 -0.53 0.00 0.00 176.83 177.71 1s6i h TYR 90 N -1.00 0.00 0.90 2.24 5.03 0.40 -3.27 116.97 121.27 1s6i h TYR 90 Ca -0.32 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 60.95 1s6i h TYR 90 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1s6i h TYR 90 CO 0.08 0.00 -0.49 0.74 -1.32 0.00 0.00 178.16 177.17 1s6i h PHE 91 N -0.58 -1.29 0.00 -3.82 -1.00 0.67 -2.65 116.94 108.27 1s6i h PHE 91 Ca 0.00 -0.02 -0.44 0.00 2.81 0.00 0.00 57.97 60.32 1s6i h PHE 91 Cb 0.02 0.44 0.01 0.00 3.61 0.00 0.00 35.95 40.03 1s6i h PHE 91 CO -0.01 -0.76 2.44 -0.25 -1.61 0.00 0.00 178.31 178.12 1s6i n ASP 92 N -5.65 6.24 -0.33 2.17 8.00 0.25 -4.62 116.55 122.60 1s6i n ASP 92 Ca -0.16 -2.40 0.10 0.00 0.71 0.00 0.00 54.79 53.03 1s6i n ASP 92 Cb 0.52 -1.28 0.27 0.00 -0.02 0.00 0.00 41.12 40.61 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 5.18 0.71 0.00 -1.24 3.64 -1.52 0.56 116.57 123.90 1s6i h LYS 93 Ca 0.56 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1s6i h LYS 93 Cb 0.45 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1s6i h LYS 93 CO 1.31 0.47 -0.04 0.22 -2.27 0.00 0.00 179.45 179.14 1s6i h ASP 94 N 0.73 0.00 -6.71 4.20 3.58 -1.86 -3.47 116.42 112.89 1s6i h ASP 94 Ca 0.52 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.46 1s6i h ASP 94 Cb 0.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1s6i h ASP 94 CO -0.36 0.04 -0.99 0.61 -2.88 0.00 0.00 179.24 175.65 1s6i n GLY 95 N -0.24 -1.06 0.00 -0.78 0.00 0.20 -4.85 105.19 98.46 1s6i n GLY 95 Ca -0.00 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.38 4.38 0.00 1.61 3.41 -1.26 -4.94 113.62 114.44 1s6i n SER 96 Ca -0.18 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1s6i n SER 96 Cb 0.61 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 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 3.23 -0.83 3.48 5.00 0.00 -1.26 -4.57 105.19 110.24 1s6i n GLY 97 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1s6i n GLY 97 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6i s TYR 98 N 0.00 0.11 -0.27 1.61 -0.85 -1.26 -0.96 117.35 115.73 1s6i s TYR 98 Ca 0.00 -0.46 -0.01 0.00 -0.52 0.00 0.00 57.07 56.07 1s6i s TYR 98 Cb 0.00 0.23 0.08 0.00 0.38 0.00 0.00 41.96 42.65 1s6i s TYR 98 CO 0.00 -0.87 0.06 0.42 -1.52 0.00 0.00 175.55 173.64 1s6i s ILE 99 N -3.92 0.81 0.46 -3.49 1.01 0.83 -4.70 121.20 112.20 1s6i s ILE 99 Ca 0.13 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 1s6i s ILE 99 Cb 0.00 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 1s6i s ILE 99 CO -0.00 -0.48 1.02 0.42 0.00 0.00 0.00 174.94 175.90 1s6i s THR 100 N 1.68 3.90 0.36 2.92 -4.23 -1.26 0.41 115.64 119.42 1s6i s THR 100 Ca 0.05 1.23 0.29 0.00 -1.18 0.00 0.00 61.69 62.08 1s6i s THR 100 Cb -0.17 -3.53 0.44 0.00 1.34 0.00 0.00 72.50 70.58 1s6i s THR 100 CO -0.18 -0.21 1.15 0.00 -0.54 0.00 0.00 174.62 174.83 1s6i n LEU 101 N -0.73 0.09 0.10 4.79 -0.00 -0.50 0.12 117.00 120.87 1s6i n LEU 101 Ca 0.08 0.91 -0.12 0.00 -0.00 0.00 0.00 56.01 56.87 1s6i n LEU 101 Cb 0.52 -0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 43.44 1s6i n LEU 101 CO 0.40 -0.96 0.77 0.44 -0.00 0.00 0.00 177.39 178.04 1s6i h ASP 102 N 0.00 -0.38 0.45 1.45 5.19 -1.89 0.40 116.42 121.65 1s6i h ASP 102 Ca 0.67 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 57.05 1s6i h ASP 102 Cb 2.36 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 42.00 1s6i h ASP 102 CO -0.21 -0.21 -0.33 -0.33 -3.12 0.00 0.00 179.24 175.04 1s6i h GLU 103 N -0.28 0.00 0.39 3.56 5.08 0.66 -1.74 114.58 122.25 1s6i h GLU 103 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1s6i h GLU 103 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1s6i h GLU 103 CO -0.07 0.33 -0.19 0.82 -1.00 0.00 0.00 179.01 178.90 1s6i h ILE 104 N 0.00 0.00 -0.94 3.13 1.08 -0.64 -1.66 117.51 118.47 1s6i h ILE 104 Ca -0.00 -0.40 0.15 0.00 -0.39 0.00 0.00 64.86 64.21 1s6i h ILE 104 Cb 0.64 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.31 1s6i h ILE 104 CO 0.04 0.00 0.60 1.56 -0.69 0.00 0.00 178.15 179.66 1s6i h GLN 105 N -0.93 0.75 0.85 2.37 1.08 -0.26 0.07 115.11 119.05 1s6i h GLN 105 Ca -0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1s6i h GLN 105 Cb 0.41 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1s6i h GLN 105 CO 0.09 0.50 -0.41 0.37 -0.95 0.00 0.00 178.83 178.43 1s6i h GLN 106 N 0.77 -1.11 0.00 1.46 5.75 -1.36 -2.23 115.11 118.40 1s6i h GLN 106 Ca 0.48 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 59.06 1s6i h GLN 106 Cb 0.71 0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.51 1s6i h GLN 106 CO -0.25 -0.73 0.00 0.00 -2.65 0.00 0.00 178.83 175.20 1s6i n ALA 107 N -2.65 1.19 -2.77 3.38 0.00 -0.63 -3.12 120.51 115.91 1s6i n ALA 107 Ca -0.15 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1s6i n ALA 107 Cb 0.46 -1.11 0.01 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 4.59 0.00 0.00 0.00 3.11 -1.68 -3.27 116.57 119.32 1s6i h LYS 109 Ca 0.42 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1s6i h LYS 109 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1s6i h LYS 109 CO 1.22 0.00 0.03 -0.40 -2.81 0.00 0.00 179.45 177.49 1s6i n ASP 110 N -4.41 0.00 -0.69 4.20 5.68 -1.26 -0.98 116.55 119.09 1s6i n ASP 110 Ca -0.04 0.24 0.08 0.00 -0.50 0.00 0.00 54.79 54.58 1s6i n ASP 110 Cb 0.13 -0.24 0.25 0.00 -1.14 0.00 0.00 41.12 40.12 1s6i n ASP 110 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1s6i n PHE 111 N -1.22 0.41 -3.13 2.11 3.01 -1.26 -4.90 117.46 112.48 1s6i n PHE 111 Ca 0.00 -0.21 -0.20 0.00 1.01 0.00 0.00 57.45 58.05 1s6i n PHE 111 Cb 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.15 -0.37 2.46 1.37 0.00 -0.15 -4.79 105.19 104.86 1s6i n GLY 112 Ca 0.15 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.91 0.33 -3.43 0.99 -0.00 -1.23 -4.94 117.00 104.80 1s6i n LEU 113 Ca -0.06 0.80 -0.12 0.00 -0.00 0.00 0.00 56.01 56.63 1s6i n LEU 113 Cb 0.59 -0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 43.37 1s6i n LEU 113 CO 0.48 -1.01 0.43 -0.62 -0.00 0.00 0.00 177.39 176.67 1s6i s ASP 114 N 0.83 -0.56 0.00 1.96 -1.08 -1.26 -5.02 116.67 111.54 1s6i s ASP 114 Ca 0.66 0.04 0.18 0.00 -0.52 0.00 0.00 52.55 52.91 1s6i s ASP 114 Cb -0.93 0.58 0.85 0.00 -1.46 0.00 0.00 42.92 41.95 1s6i s ASP 114 CO 0.46 -0.92 1.54 0.47 0.52 0.00 0.00 175.17 177.24 1s6i n ASP 115 N -0.30 0.00 0.01 -0.34 9.92 -1.26 -2.54 116.55 122.04 1s6i n ASP 115 Ca -0.16 0.16 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1s6i n ASP 115 Cb 0.64 -0.35 -0.01 0.00 -0.64 0.00 0.00 41.12 40.77 1s6i n ASP 115 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1s6i h ILE 116 N 0.00 0.00 0.00 0.53 3.07 -1.96 -3.37 117.51 115.78 1s6i h ILE 116 Ca 0.00 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1s6i h ILE 116 Cb 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.75 1s6i h ILE 116 CO 0.00 0.00 -0.48 1.41 -1.05 0.00 0.00 178.15 178.03 1s6i n HIS 117 N -3.55 0.61 -0.39 0.16 8.25 -1.24 -4.42 115.22 114.64 1s6i n HIS 117 Ca -0.01 0.27 0.30 0.00 -0.26 0.00 0.00 57.72 58.02 1s6i n HIS 117 Cb 0.03 -0.62 0.59 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.80 0.30 -0.54 1.59 1.08 -1.79 0.17 117.51 117.52 1s6i h ILE 118 Ca 0.00 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1s6i h ILE 118 Cb 0.48 0.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.21 1s6i h ILE 118 CO 0.00 0.04 0.01 -0.78 -0.69 0.00 0.00 178.15 176.73 1s6i h ASP 119 N 0.22 -0.20 0.47 1.72 1.82 -1.67 0.49 116.42 119.27 1s6i h ASP 119 Ca 0.72 0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 57.42 1s6i h ASP 119 Cb 2.09 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 42.31 1s6i h ASP 119 CO -0.37 -0.07 -0.29 -0.78 -1.61 0.00 0.00 179.24 176.12 1s6i h ASP 120 N 0.13 0.00 -0.80 2.28 3.58 -0.89 -2.56 116.42 118.16 1s6i h ASP 120 Ca 0.27 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 1s6i h ASP 120 Cb 0.42 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 1s6i h ASP 120 CO -0.44 0.29 0.35 -0.03 -2.88 0.00 0.00 179.24 176.53 1s6i h MET 121 N 0.00 1.18 -0.71 0.28 4.05 0.23 1.93 114.93 121.89 1s6i h MET 121 Ca -0.00 -0.20 0.11 0.00 -0.28 0.00 0.00 59.70 59.33 1s6i h MET 121 Cb 0.60 -0.20 -0.08 0.00 -0.80 0.00 0.00 31.60 31.12 1s6i h MET 121 CO 0.04 0.94 0.32 0.82 0.23 0.00 0.00 176.91 179.25 1s6i h ILE 122 N 1.16 0.77 0.00 1.77 2.04 -0.56 1.48 117.51 124.17 1s6i h ILE 122 Ca 0.27 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1s6i h ILE 122 Cb 0.17 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1s6i h ILE 122 CO -0.03 0.09 -0.35 0.29 0.00 0.00 0.00 178.15 178.16 1s6i n LYS 123 N -4.93 0.20 0.05 2.37 4.76 -0.66 -0.24 118.16 119.70 1s6i n LYS 123 Ca 0.12 0.10 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 1s6i n LYS 123 Cb 0.32 -1.67 0.22 0.00 -1.84 0.00 0.00 35.03 32.07 1s6i n LYS 123 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1s6i n GLU 124 N -1.98 0.21 -0.01 1.97 2.13 0.65 -3.90 120.64 119.72 1s6i n GLU 124 Ca 0.05 0.07 0.01 0.00 0.66 0.00 0.00 57.16 57.94 1s6i n GLU 124 Cb 0.41 -1.64 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 1s6i n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1s6i n ILE 125 N -1.95 0.06 -1.82 6.31 5.41 0.44 -4.94 119.36 122.88 1s6i n ILE 125 Ca 0.04 -0.08 -0.38 0.00 1.00 0.00 0.00 62.75 63.32 1s6i n ILE 125 Cb 0.41 -0.03 -0.03 0.00 -0.71 0.00 0.00 39.64 39.28 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s6i s ASP 126 N -2.68 5.02 0.21 4.38 2.15 0.67 -4.81 116.67 121.60 1s6i s ASP 126 Ca -0.01 0.83 0.23 0.00 0.43 0.00 0.00 52.55 54.02 1s6i s ASP 126 Cb 0.02 -2.52 0.16 0.00 -0.30 0.00 0.00 42.92 40.28 1s6i s ASP 126 CO 0.12 -2.48 1.21 1.56 -0.17 0.00 0.00 175.17 175.41 1s6i h GLN 127 N 16.57 0.00 0.00 4.34 4.20 -1.88 -3.42 115.11 134.93 1s6i h GLN 127 Ca -0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1s6i h GLN 127 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1s6i h GLN 127 CO 1.16 0.00 -1.04 -3.47 -0.67 0.00 0.00 178.83 174.81 1s6i n ASP 128 N -2.57 4.43 0.00 1.46 2.03 -1.26 -4.94 116.55 115.70 1s6i n ASP 128 Ca 0.02 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1s6i n ASP 128 Cb 0.51 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1s6i n ASN 129 N -2.25 0.00 -0.51 1.67 2.04 -1.26 -5.03 115.26 109.92 1s6i n ASN 129 Ca -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.13 1s6i n ASN 129 Cb 0.52 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 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 0.00 0.22 -3.57 0.53 9.92 -1.26 -4.72 116.55 117.67 1s6i n ASP 130 Ca 0.00 -0.42 -0.26 0.00 -0.53 0.00 0.00 54.79 53.58 1s6i n ASP 130 Cb 0.00 -0.11 0.03 0.00 -0.64 0.00 0.00 41.12 40.41 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6i n GLY 131 N 0.40 -0.51 3.34 0.44 0.00 -1.26 -4.39 105.19 103.20 1s6i n GLY 131 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.27 1.38 -0.06 1.61 -2.07 -1.26 -1.41 119.66 111.59 1s6i s GLN 132 Ca 0.53 -1.72 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1s6i s GLN 132 Cb -0.26 -0.55 0.02 0.00 -1.09 0.00 0.00 33.01 31.14 1s6i s GLN 132 CO 0.65 -0.16 -0.03 0.42 -1.32 0.00 0.00 175.29 174.86 1s6i s ILE 133 N -3.49 0.54 0.27 3.63 -1.09 0.17 -4.25 121.20 116.97 1s6i s ILE 133 Ca 0.31 -0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.74 1s6i s ILE 133 Cb 0.07 -0.61 -0.03 0.00 -1.58 0.00 0.00 42.46 40.31 1s6i s ILE 133 CO 0.10 0.26 0.32 1.51 -1.23 0.00 0.00 174.94 175.90 1s6i s ASP 134 N 1.39 5.92 0.51 3.58 -4.77 -1.26 0.29 116.67 122.33 1s6i s ASP 134 Ca -0.03 -0.12 0.41 0.00 -3.30 0.00 0.00 52.55 49.51 1s6i s ASP 134 Cb -0.13 -1.54 1.61 0.00 -1.09 0.00 0.00 42.92 41.77 1s6i s ASP 134 CO -0.03 -0.14 1.60 0.22 0.70 0.00 0.00 175.17 177.52 1s6i h TYR 135 N 1.24 0.22 0.02 2.11 3.20 -1.41 1.48 116.97 123.84 1s6i h TYR 135 Ca -0.49 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.29 1s6i h TYR 135 Cb 1.24 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.46 1s6i h TYR 135 CO 0.49 -0.11 -0.41 0.78 -1.64 0.00 0.00 178.16 177.27 1s6i h GLY 136 N 0.02 0.27 0.46 1.82 0.00 -1.83 -2.71 103.07 101.10 1s6i h GLY 136 Ca 0.88 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1s6i h GLY 136 CO -0.20 0.45 -0.51 0.83 0.00 0.00 0.00 176.54 177.11 1s6i h GLU 137 N -0.42 -0.94 -0.24 4.80 5.08 0.16 0.51 114.58 123.54 1s6i h GLU 137 Ca -0.06 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1s6i h GLU 137 Cb 1.19 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1s6i h GLU 137 CO 0.08 -0.62 0.17 0.35 -1.00 0.00 0.00 179.01 177.99 1s6i h PHE 138 N -0.97 0.00 0.00 4.33 3.57 -0.97 0.23 116.94 123.13 1s6i h PHE 138 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1s6i h PHE 138 Cb 0.86 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1s6i h PHE 138 CO -0.29 0.00 -0.01 0.00 -2.23 0.00 0.00 178.31 175.79 1s6i h ALA 139 N 1.88 1.00 0.01 2.41 0.00 -0.95 -3.30 119.26 120.31 1s6i h ALA 139 Ca 0.11 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1s6i h ALA 139 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1s6i h ALA 139 CO -0.00 0.01 -1.33 0.00 0.00 0.00 0.00 179.25 177.93 1s6i h ALA 140 N 1.99 0.28 0.00 0.00 0.00 0.30 -3.20 119.26 118.64 1s6i h ALA 140 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1s6i h ALA 140 Cb 0.98 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1s6i h ALA 140 CO 0.00 0.76 0.19 0.00 0.00 0.00 0.00 179.25 180.20 1s6i h MET 141 N -0.89 0.00 0.00 0.00 3.00 -0.98 0.24 114.93 116.30 1s6i h MET 141 Ca -0.36 0.00 -0.19 0.00 0.00 0.00 0.00 59.70 59.15 1s6i h MET 141 Cb 1.38 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 32.94 1s6i h MET 141 CO -0.18 0.00 -2.19 -0.12 0.00 0.00 0.00 176.91 174.42 1s6i n MET 142 N -2.39 0.67 0.00 -0.10 0.00 -1.24 -4.92 117.12 109.14 1s6i n MET 142 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1s6i n MET 142 Cb 0.22 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1s6i n MET 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6i n ARG 143 N -2.52 0.00 -0.59 2.12 1.74 0.78 -5.13 116.66 113.06 1s6i n ARG 143 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1s6i n ARG 143 Cb 0.88 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.32 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1s6i n LYS 144 N 0.00 0.00 0.07 5.56 5.02 -0.89 -5.02 118.16 122.90 1s6i n LYS 144 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1s6i n LYS 144 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1s6i n LYS 144 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1s6i h ARG 145 N 0.00 0.00 -0.21 1.97 0.11 -1.97 -3.40 114.38 110.87 1s6i h ARG 145 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 1s6i h ARG 145 Cb 0.00 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 30.92 1s6i h ARG 145 CO 0.00 0.15 -0.12 -1.59 0.10 0.00 0.00 179.97 178.51 1s6i s LYS 146 N -3.13 0.20 -0.10 0.08 -2.85 -1.26 -4.98 119.74 107.70 1s6i s LYS 146 Ca -0.02 -0.14 -0.02 0.00 -1.00 0.00 0.00 55.97 54.79 1s6i s LYS 146 Cb 0.09 0.01 -0.25 0.00 -2.06 0.00 0.00 37.83 35.61 1s6i s LYS 146 CO 0.80 -0.27 0.43 0.41 0.10 0.00 0.00 175.35 176.82 1s6i n GLY 147 N 3.17 -0.66 3.30 0.59 0.00 -1.26 -5.01 105.19 105.32 1s6i n GLY 147 Ca 0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1s6i n GLY 147 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6i s ASN 148 N -6.82 -0.00 0.27 1.61 0.01 -1.26 -5.01 114.94 103.74 1s6i s ASN 148 Ca -0.18 -0.65 0.11 0.00 -0.71 0.00 0.00 52.86 51.42 1s6i s ASN 148 Cb 0.07 0.42 0.58 0.00 0.41 0.00 0.00 41.25 42.72 1s6i s ASN 148 CO 0.78 -0.83 1.20 0.61 -1.51 0.00 0.00 177.10 177.35 1s6i n GLY 149 N -0.17 -0.55 0.00 0.66 0.00 -1.26 -0.73 105.19 103.14 1s6i n GLY 149 Ca -0.12 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.28 -0.53 3.24 -0.02 0.00 -1.26 -4.83 105.19 100.51 1s6i n GLY 150 Ca -0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1s6i n GLY 150 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s6i n ILE 151 N -1.21 0.50 0.00 -0.61 3.06 0.10 -4.95 119.36 116.24 1s6i n ILE 151 Ca 0.05 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 1s6i n ILE 151 Cb 0.07 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 40.00 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6i n GLY 152 N 2.52 0.00 3.66 4.50 0.00 -1.26 -4.95 105.19 109.66 1s6i n GLY 152 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.77 4.25 0.05 1.61 6.06 -1.25 -4.51 118.95 123.39 1s6i s ARG 153 Ca 0.00 1.65 0.05 0.00 -2.50 0.00 0.00 55.73 54.92 1s6i s ARG 153 Cb 0.00 -3.73 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 1s6i s ARG 153 CO 0.00 -0.67 -0.13 1.03 -2.50 0.00 0.00 175.30 173.03 1s6i s ARG 154 N 3.32 0.81 0.40 5.12 0.52 -1.26 -4.87 118.95 122.99 1s6i s ARG 154 Ca 0.54 -0.84 0.25 0.00 -0.52 0.00 0.00 55.73 55.17 1s6i s ARG 154 Cb -0.22 -0.79 1.38 0.00 0.52 0.00 0.00 34.95 35.84 1s6i s ARG 154 CO 0.15 0.18 1.77 0.00 0.02 0.00 0.00 175.30 177.42 1s6i h THR 155 N 4.41 0.00 0.00 0.02 1.03 -1.95 -3.11 112.91 113.32 1s6i h THR 155 Ca -0.39 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 65.79 1s6i h THR 155 Cb 1.19 0.56 -0.14 0.00 -1.07 0.00 0.00 68.15 68.69 1s6i h THR 155 CO 0.42 0.00 -0.37 0.80 -0.01 0.00 0.00 175.52 176.36 1s6i n MET 156 N -2.42 0.92 -0.11 0.00 0.00 -1.26 -5.08 117.12 109.18 1s6i n MET 156 Ca -0.02 -1.77 -0.07 0.00 -0.00 0.00 0.00 57.70 55.85 1s6i n MET 156 Cb 0.09 -0.87 0.06 0.00 0.00 0.00 0.00 33.22 32.50 1s6i n MET 156 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1s6i n ARG 157 N 0.32 -2.30 -3.53 2.12 -4.01 -1.18 -5.08 116.66 103.00 1s6i n ARG 157 Ca 0.04 -0.35 -0.00 0.00 -1.04 0.00 0.00 57.85 56.50 1s6i n ARG 157 Cb 0.71 -0.41 -0.04 0.00 -3.04 0.00 0.00 32.46 29.68 1s6i n ARG 157 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 1s6i s LYS 158 N -3.49 0.44 0.06 2.89 2.20 -1.26 -5.04 119.74 115.53 1s6i s LYS 158 Ca 0.15 1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 56.55 1s6i s LYS 158 Cb -0.02 0.58 0.09 0.00 -1.51 0.00 0.00 37.83 36.96 1s6i s LYS 158 CO 0.12 -0.14 0.81 -0.08 -0.36 0.00 0.00 175.35 175.70 1s6i s THR 159 N 2.52 0.00 0.55 3.43 -1.32 -1.26 -5.17 115.64 114.39 1s6i s THR 159 Ca -0.05 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.18 1s6i s THR 159 Cb -0.08 -1.12 -0.06 0.00 -1.51 0.00 0.00 72.50 69.73 1s6i s THR 159 CO -0.18 0.00 1.02 -0.76 -2.21 0.00 0.00 174.62 172.49 1s6i s LEU 160 N -2.61 3.55 0.43 9.08 1.43 -1.26 -5.08 118.68 124.22 1s6i s LEU 160 Ca 0.05 1.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1s6i s LEU 160 Cb -0.01 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 1s6i s LEU 160 CO -0.09 -0.85 0.41 0.54 0.23 0.00 0.00 176.35 176.59 1s6i s ASN 161 N -3.01 5.07 -0.09 2.29 4.22 -1.26 -4.91 114.94 117.24 1s6i s ASN 161 Ca 0.61 -0.76 -0.04 0.00 -2.14 0.00 0.00 52.86 50.53 1s6i s ASN 161 Cb -0.13 -0.46 -0.04 0.00 1.28 0.00 0.00 41.25 41.90 1s6i s ASN 161 CO 0.35 -0.73 0.05 -0.22 -2.04 0.00 0.00 177.10 174.52 1s6i s LEU 162 N -4.18 3.88 0.01 3.54 0.20 -1.26 -5.00 118.68 115.87 1s6i s LEU 162 Ca 0.48 0.26 0.00 0.00 0.69 0.00 0.00 54.13 55.56 1s6i s LEU 162 Cb -0.04 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 1s6i s LEU 162 CO 0.28 0.38 0.00 -1.14 -0.29 0.00 0.00 176.35 175.58 1s6i n ARG 163 N 2.02 0.00 -1.99 1.98 0.63 -1.26 -5.04 116.66 113.00 1s6i n ARG 163 Ca -0.19 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.35 1s6i n ARG 163 Cb 0.54 -0.01 -0.00 0.00 0.45 0.00 0.00 32.46 33.44 1s6i n ARG 163 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1s6i s ASP 164 N -4.41 6.24 0.09 6.15 -1.08 -1.26 -4.95 116.67 117.45 1s6i s ASP 164 Ca 0.00 2.73 -0.31 0.00 -0.52 0.00 0.00 52.55 54.45 1s6i s ASP 164 Cb 0.00 -2.64 -0.07 0.00 -1.46 0.00 0.00 42.92 38.75 1s6i s ASP 164 CO 0.00 -0.91 1.26 0.00 0.52 0.00 0.00 175.17 176.04 1s6i s ALA 165 N -1.24 3.46 -0.71 3.66 0.00 -1.26 -4.91 121.76 120.75 1s6i s ALA 165 Ca 0.57 0.95 0.26 0.00 0.00 0.00 0.00 51.96 53.74 1s6i s ALA 165 Cb -0.40 -3.47 0.85 0.00 0.00 0.00 0.00 23.12 20.10 1s6i s ALA 165 CO 0.51 -0.48 1.77 1.28 0.00 0.00 0.00 175.76 178.84 1s6i n LEU 166 N 3.76 0.76 0.00 0.00 4.32 -1.26 -4.84 117.00 119.74 1s6i n LEU 166 Ca 0.09 0.58 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 1s6i n LEU 166 Cb 0.45 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1s6i n LEU 166 CO 0.56 -0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1s6i n GLY 167 N 1.14 3.33 3.41 -0.72 0.00 -1.26 -5.16 105.19 105.94 1s6i n GLY 167 Ca 0.05 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1s6i n GLY 167 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s6i n LEU 168 N 0.00 0.00 -4.61 0.99 -0.00 -1.26 -5.06 117.00 107.05 1s6i n LEU 168 Ca 0.00 -2.63 -0.43 0.00 -0.00 0.00 0.00 56.01 52.95 1s6i n LEU 168 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.41 1s6i n LEU 168 CO 0.00 -0.53 1.36 -0.69 -0.00 0.00 0.00 177.39 177.53 1s6i s VAL 169 N -2.49 3.73 -0.88 1.47 1.01 -1.26 -4.91 120.40 117.07 1s6i s VAL 169 Ca 0.24 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 1s6i s VAL 169 Cb -0.02 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1s6i s VAL 169 CO 0.15 -0.46 2.02 -1.81 0.00 0.00 0.00 175.10 175.00 1s6i s ASP 170 N 4.54 4.95 -0.02 3.32 1.01 -1.26 -4.73 116.67 124.48 1s6i s ASP 170 Ca 0.70 -0.54 0.11 0.00 0.71 0.00 0.00 52.55 53.53 1s6i s ASP 170 Cb -0.21 -2.56 0.36 0.00 1.01 0.00 0.00 42.92 41.53 1s6i s ASP 170 CO 0.31 -2.91 1.27 -0.46 0.21 0.00 0.00 175.17 173.59 1s6i n ASN 171 N 14.67 2.33 -4.68 0.27 0.23 -1.26 -4.92 115.26 121.90 1s6i n ASN 171 Ca 0.41 -2.08 -0.42 0.00 -0.53 0.00 0.00 54.58 51.96 1s6i n ASN 171 Cb 0.46 -0.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 1s6i n ASN 171 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1s6i s GLY 172 N -0.90 1.62 -0.67 4.83 0.00 -1.26 -4.91 107.32 106.03 1s6i s GLY 172 Ca 0.27 1.10 -0.03 0.00 0.00 0.00 0.00 44.72 46.06 1s6i s GLY 172 CO 0.16 2.83 2.36 -1.26 0.00 0.00 0.00 173.10 177.19 1s6i n SER 173 N 5.76 7.05 -2.61 1.64 2.88 -1.26 -4.50 113.62 122.58 1s6i n SER 173 Ca 0.15 -3.55 -0.14 0.00 -1.33 0.00 0.00 58.87 54.01 1s6i n SER 173 Cb 0.42 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 1s6i n SER 173 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s6i n ASN 174 N 0.10 2.42 -4.58 -3.46 4.13 -1.26 -5.06 115.26 107.54 1s6i n ASN 174 Ca 0.52 -2.97 -0.42 0.00 1.68 0.00 0.00 54.58 53.39 1s6i n ASN 174 Cb 0.38 -0.50 -0.02 0.00 -1.54 0.00 0.00 39.78 38.09 1s6i n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s6i s GLN 175 N -3.29 3.46 0.23 3.52 -2.07 -1.26 -4.99 119.66 115.25 1s6i s GLN 175 Ca 0.33 0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 53.95 1s6i s GLN 175 Cb 0.43 -4.05 -0.09 0.00 -1.09 0.00 0.00 33.01 28.22 1s6i s GLN 175 CO -0.03 -1.75 1.18 0.54 -1.32 0.00 0.00 175.29 173.92 1s6i s VAL 176 N 5.33 3.45 0.10 3.63 0.11 -1.26 -5.04 120.40 126.73 1s6i s VAL 176 Ca 0.47 1.31 0.10 0.00 -2.93 0.00 0.00 61.98 60.93 1s6i s VAL 176 Cb -0.09 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1s6i s VAL 176 CO 0.26 0.25 -0.25 0.27 -3.33 0.00 0.00 175.10 172.30 1s6i s ILE 177 N -0.47 2.04 -0.04 7.04 -5.25 -1.26 -5.14 121.20 118.11 1s6i s ILE 177 Ca 0.50 -1.59 0.04 0.00 -0.99 0.00 0.00 60.65 58.61 1s6i s ILE 177 Cb -0.33 -1.81 -0.00 0.00 2.95 0.00 0.00 42.46 43.27 1s6i s ILE 177 CO 0.39 0.10 -0.17 -0.70 -1.79 0.00 0.00 174.94 172.78 1s6i s GLU 178 N -1.81 1.79 0.00 0.37 2.12 -1.26 -5.00 118.70 114.91 1s6i s GLU 178 Ca 0.11 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1s6i s GLU 178 Cb -0.10 -1.55 0.00 0.00 0.26 0.00 0.00 34.13 32.74 1s6i s GLU 178 CO 0.05 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 1s6i n GLY 179 N 3.18 0.00 3.85 -1.50 0.00 -1.26 -5.17 105.19 104.30 1s6i n GLY 179 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1s6i n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6i s TYR 180 N 0.00 2.96 0.01 1.61 1.51 -1.26 -5.03 117.35 117.15 1s6i s TYR 180 Ca 0.00 0.96 -0.25 0.00 -1.01 0.00 0.00 57.07 56.77 1s6i s TYR 180 Cb 0.00 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1s6i s TYR 180 CO 0.00 -1.70 0.79 0.12 -1.11 0.00 0.00 175.55 173.65 1s6i s PHE 181 N -3.35 3.68 -2.15 2.71 5.36 -1.26 -5.35 117.98 117.62 1s6i s PHE 181 Ca 0.61 1.45 0.17 0.00 -0.96 0.00 0.00 56.93 58.20 1s6i s PHE 181 Cb -0.13 -2.87 0.14 0.00 -0.34 0.00 0.00 43.02 39.82 1s6i s PHE 181 CO 0.52 0.17 1.05 1.17 -1.46 0.00 0.00 175.22 176.66