#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 0.42 -0.14 0.00 -6.30 -1.26 -5.15 118.70 106.27 1s6i s GLU 2 Ca 0.00 0.57 -0.05 0.00 -2.50 0.00 0.00 54.97 52.99 1s6i s GLU 2 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 34.13 34.39 1s6i s GLU 2 CO 0.00 -0.63 0.02 0.50 0.02 0.00 0.00 175.26 175.17 1s6i s ARG 3 N 2.88 3.55 0.00 4.30 3.52 -1.26 -5.05 118.95 126.90 1s6i s ARG 3 Ca 0.14 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1s6i s ARG 3 Cb -0.10 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1s6i s ARG 3 CO -0.21 0.43 0.00 -0.11 -0.81 0.00 0.00 175.30 174.60 1s6i n LEU 4 N 3.00 0.00 -3.60 -0.88 7.94 -1.26 -5.16 117.00 117.04 1s6i n LEU 4 Ca -0.18 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.68 1s6i n LEU 4 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 1s6i n LEU 4 CO 0.32 0.00 1.01 -0.94 -1.11 0.00 0.00 177.39 176.67 1s6i s SER 5 N -0.36 -0.15 -0.67 1.96 1.04 -1.26 -5.03 113.70 109.23 1s6i s SER 5 Ca 0.00 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 1s6i s SER 5 Cb 0.00 0.14 0.42 0.00 0.10 0.00 0.00 66.02 66.68 1s6i s SER 5 CO 0.00 -0.21 2.04 -0.62 0.98 0.00 0.00 173.24 175.43 1s6i n GLU 6 N 0.11 2.65 0.07 4.02 1.02 -1.26 -4.59 120.64 122.65 1s6i n GLU 6 Ca -0.01 -3.21 0.08 0.00 -0.02 0.00 0.00 57.16 54.00 1s6i n GLU 6 Cb 0.58 -2.25 0.37 0.00 -0.02 0.00 0.00 31.44 30.13 1s6i n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s6i n GLU 7 N -0.79 0.09 0.00 3.49 -0.58 -1.26 -1.98 120.64 119.61 1s6i n GLU 7 Ca 0.60 0.40 -0.00 0.00 -0.42 0.00 0.00 57.16 57.74 1s6i n GLU 7 Cb 0.60 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1s6i n GLU 7 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1s6i h GLU 8 N 0.00 -0.01 0.00 3.49 4.81 -1.97 -3.28 114.58 117.62 1s6i h GLU 8 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s6i h GLU 8 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1s6i h GLU 8 CO 0.00 -0.00 -0.29 0.44 -0.73 0.00 0.00 179.01 178.42 1s6i n ILE 9 N -2.03 0.41 -3.90 2.32 -0.00 -1.24 -4.87 119.36 110.06 1s6i n ILE 9 Ca -0.00 -0.24 -0.22 0.00 -0.00 0.00 0.00 62.75 62.29 1s6i n ILE 9 Cb 0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 39.64 39.27 1s6i n ILE 9 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1s6i s GLY 10 N -3.52 1.85 -1.32 3.28 0.00 -0.84 -4.61 107.32 102.16 1s6i s GLY 10 Ca 0.09 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.03 1s6i s GLY 10 CO 0.65 -1.64 0.74 0.61 0.00 0.00 0.00 173.10 173.46 1s6i n GLY 11 N -1.31 -0.38 0.09 0.20 0.00 -1.26 -4.48 105.19 98.04 1s6i n GLY 11 Ca -0.02 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.69 0.24 -0.67 0.99 3.38 -1.86 -1.34 115.31 114.37 1s6i h LEU 12 Ca -0.49 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.26 1s6i h LEU 12 Cb 1.33 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1s6i h LEU 12 CO 0.50 1.21 0.39 0.50 0.09 0.00 0.00 178.44 181.14 1s6i h LYS 13 N 0.04 0.72 -0.05 1.13 3.64 -1.97 0.45 116.57 120.53 1s6i h LYS 13 Ca -0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1s6i h LYS 13 Cb 1.90 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1s6i h LYS 13 CO 0.17 0.48 -0.12 1.49 -2.27 0.00 0.00 179.45 179.19 1s6i h GLU 14 N 0.74 0.18 -1.01 1.90 4.81 -1.97 -2.92 114.58 116.31 1s6i h GLU 14 Ca 0.29 -0.12 0.29 0.00 -0.13 0.00 0.00 59.36 59.69 1s6i h GLU 14 Cb 0.12 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1s6i h GLU 14 CO -0.15 0.71 0.78 1.25 -0.73 0.00 0.00 179.01 180.87 1s6i h LEU 15 N -0.34 0.00 0.13 1.64 5.85 -0.42 0.62 115.31 122.80 1s6i h LEU 15 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s6i h LEU 15 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1s6i h LEU 15 CO 0.03 0.00 -0.06 0.15 -0.34 0.00 0.00 178.44 178.21 1s6i h PHE 16 N 0.00 -0.16 0.00 1.25 3.57 0.06 -2.56 116.94 119.10 1s6i h PHE 16 Ca 0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.97 1s6i h PHE 16 Cb 2.03 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.82 1s6i h PHE 16 CO 0.00 0.10 0.00 0.36 -2.23 0.00 0.00 178.31 176.54 1s6i n LYS 17 N -5.05 0.14 0.25 1.11 2.85 0.63 -2.45 118.16 115.64 1s6i n LYS 17 Ca -0.09 0.17 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 1s6i n LYS 17 Cb 0.18 -1.69 0.61 0.00 -0.65 0.00 0.00 35.03 33.48 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 0.00 0.00 -1.58 2.86 0.48 -3.15 114.93 113.55 1s6i h MET 18 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1s6i h MET 18 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1s6i h MET 18 CO 0.00 0.17 -0.42 0.82 1.06 0.00 0.00 176.91 178.54 1s6i h ILE 19 N 0.00 1.17 -0.08 -1.22 2.04 -1.27 -3.38 117.51 114.78 1s6i h ILE 19 Ca -0.00 -2.03 -0.30 0.00 1.00 0.00 0.00 64.86 63.53 1s6i h ILE 19 Cb 0.54 2.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 1s6i h ILE 19 CO 0.02 0.40 0.42 -0.90 0.00 0.00 0.00 178.15 178.09 1s6i n ASP 20 N -4.58 5.95 0.00 1.72 5.68 -1.19 -4.12 116.55 120.02 1s6i n ASP 20 Ca -0.15 -2.54 0.14 0.00 -0.50 0.00 0.00 54.79 51.74 1s6i n ASP 20 Cb 0.46 -1.43 0.73 0.00 -1.14 0.00 0.00 41.12 39.74 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 2.58 0.03 -0.04 2.12 5.66 -1.24 -3.49 114.28 119.90 1s6i n THR 21 Ca 0.50 0.01 -0.02 0.00 -3.05 0.00 0.00 64.05 61.48 1s6i n THR 21 Cb 0.77 -0.52 -0.07 0.00 -1.55 0.00 0.00 70.33 68.97 1s6i n THR 21 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1s6i n ASP 22 N -1.32 2.82 0.00 1.09 2.03 -1.26 -4.94 116.55 114.98 1s6i n ASP 22 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1s6i n ASP 22 Cb 0.25 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 1s6i n ASP 22 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1s6i n ASN 23 N -2.22 0.00 -0.19 1.67 4.13 -1.23 -5.03 115.26 112.39 1s6i n ASN 23 Ca -0.12 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.14 1s6i n ASN 23 Cb 0.67 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.91 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1s6i n SER 24 N 0.00 -0.03 0.00 6.41 7.64 -1.25 -4.96 113.62 121.42 1s6i n SER 24 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1s6i n SER 24 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1s6i n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6i n GLY 25 N 0.00 1.77 2.91 0.23 0.00 -1.23 -5.12 105.19 103.75 1s6i n GLY 25 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.02 -0.47 2.61 -4.23 -1.26 -4.72 115.64 105.59 1s6i s THR 26 Ca 0.00 -0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.19 1s6i s THR 26 Cb 0.00 -0.08 0.10 0.00 1.34 0.00 0.00 72.50 73.85 1s6i s THR 26 CO 0.00 -0.10 0.38 -0.63 -0.54 0.00 0.00 174.62 173.72 1s6i s ILE 27 N -0.30 4.79 0.33 2.99 1.01 0.01 -4.42 121.20 125.61 1s6i s ILE 27 Ca -0.03 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.30 1s6i s ILE 27 Cb -0.02 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1s6i s ILE 27 CO -0.00 -0.66 0.37 0.42 0.00 0.00 0.00 174.94 175.06 1s6i s THR 28 N 1.53 3.78 0.35 2.92 -4.23 -1.26 0.21 115.64 118.94 1s6i s THR 28 Ca 0.04 -1.21 0.29 0.00 -1.18 0.00 0.00 61.69 59.63 1s6i s THR 28 Cb -0.26 -3.29 0.44 0.00 1.34 0.00 0.00 72.50 70.73 1s6i s THR 28 CO 0.03 -0.17 1.13 0.33 -0.54 0.00 0.00 174.62 175.40 1s6i n PHE 29 N -1.48 0.29 -0.02 3.99 7.35 -1.05 0.19 117.46 126.72 1s6i n PHE 29 Ca -0.01 0.29 -0.16 0.00 -0.76 0.00 0.00 57.45 56.82 1s6i n PHE 29 Cb 0.59 -0.68 -0.12 0.00 0.35 0.00 0.00 39.48 39.62 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 0.22 0.97 -2.13 3.58 -1.92 -3.29 116.42 113.85 1s6i h ASP 30 Ca 0.66 -0.83 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 1s6i h ASP 30 Cb 2.35 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 43.32 1s6i h ASP 30 CO -0.20 1.02 -0.33 -0.33 -2.88 0.00 0.00 179.24 176.52 1s6i h GLU 31 N -0.56 0.00 -0.50 0.28 3.07 0.17 -2.41 114.58 114.63 1s6i h GLU 31 Ca -0.04 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.92 1s6i h GLU 31 Cb 1.08 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.89 1s6i h GLU 31 CO 0.05 0.33 -0.20 1.25 -1.40 0.00 0.00 179.01 179.05 1s6i h LEU 32 N 0.00 -0.70 0.22 1.33 7.12 0.89 -2.18 115.31 121.99 1s6i h LEU 32 Ca -0.00 0.17 -0.34 0.00 0.13 0.00 0.00 57.88 57.84 1s6i h LEU 32 Cb 0.91 0.40 0.03 0.00 -0.53 0.00 0.00 40.66 41.46 1s6i h LEU 32 CO 0.04 -0.23 -1.57 0.07 -0.13 0.00 0.00 178.44 176.62 1s6i h LYS 33 N -0.09 0.47 -0.75 1.25 2.10 -1.68 -3.39 116.57 114.48 1s6i h LYS 33 Ca 0.24 -0.80 0.07 0.00 -2.00 0.00 0.00 60.65 58.15 1s6i h LYS 33 Cb 0.45 0.30 -0.09 0.00 -0.90 0.00 0.00 32.23 31.99 1s6i h LYS 33 CO -0.56 1.38 -0.44 -3.47 -2.00 0.00 0.00 179.45 174.36 1s6i n ASP 34 N -3.69 -0.80 -0.31 7.07 -0.08 -0.87 -0.36 116.55 117.51 1s6i n ASP 34 Ca -0.20 1.54 0.18 0.00 -1.51 0.00 0.00 54.79 54.80 1s6i n ASP 34 Cb 1.08 -0.27 0.44 0.00 2.34 0.00 0.00 41.12 44.71 1s6i n ASP 34 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s6i h GLY 35 N 0.00 1.31 0.02 0.27 0.00 -1.58 0.16 103.07 103.25 1s6i h GLY 35 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1s6i h GLY 35 CO -0.71 -0.07 -0.01 1.41 0.00 0.00 0.00 176.54 177.17 1s6i h LEU 36 N 0.53 -0.02 -1.71 3.11 3.38 -0.89 -2.77 115.31 116.94 1s6i h LEU 36 Ca 0.55 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1s6i h LEU 36 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1s6i h LEU 36 CO -0.29 0.56 0.22 0.07 0.09 0.00 0.00 178.44 179.09 1s6i h LYS 37 N -1.00 0.00 0.07 1.13 2.10 -0.57 0.51 116.57 118.81 1s6i h LYS 37 Ca -0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 1s6i h LYS 37 Cb 0.17 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.52 1s6i h LYS 37 CO 0.00 0.00 -0.86 -0.09 -2.00 0.00 0.00 179.45 176.50 1s6i h ARG 38 N 0.00 0.47 0.00 0.07 2.43 -0.72 -3.14 114.38 113.49 1s6i h ARG 38 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1s6i h ARG 38 Cb 0.45 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1s6i h ARG 38 CO 0.00 1.23 0.00 1.55 -1.51 0.00 0.00 179.97 181.24 1s6i n VAL 39 N -4.05 0.15 0.00 0.20 3.14 0.17 -4.77 118.33 113.17 1s6i n VAL 39 Ca -0.12 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1s6i n VAL 39 Cb 0.81 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 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 0.10 0.98 3.90 7.55 0.00 -1.00 -5.09 105.19 111.62 1s6i n GLY 40 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.92 5.19 -0.24 1.61 0.01 -0.60 -4.96 113.70 112.80 1s6i s SER 41 Ca 0.00 0.89 -0.04 0.00 1.31 0.00 0.00 55.95 58.11 1s6i s SER 41 Cb 0.00 -1.64 0.08 0.00 0.21 0.00 0.00 66.02 64.67 1s6i s SER 41 CO 0.00 -1.44 0.10 -1.61 0.41 0.00 0.00 173.24 170.70 1s6i s GLU 42 N -5.32 0.22 0.26 12.44 2.02 -1.26 -3.89 118.70 123.17 1s6i s GLU 42 Ca 0.58 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 55.23 1s6i s GLU 42 Cb -0.11 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.50 1s6i s GLU 42 CO 0.49 -0.85 -0.01 -0.51 0.02 0.00 0.00 175.26 174.40 1s6i s LEU 43 N 2.06 2.29 0.28 1.80 1.43 -1.26 -5.07 118.68 120.21 1s6i s LEU 43 Ca 0.05 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.99 1s6i s LEU 43 Cb -0.16 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 1s6i s LEU 43 CO -0.23 -0.47 0.19 -0.04 0.23 0.00 0.00 176.35 176.03 1s6i s MET 44 N -3.82 2.75 0.08 1.70 -1.94 -1.26 -5.04 119.30 111.76 1s6i s MET 44 Ca 0.30 -1.20 -0.35 0.00 -1.71 0.00 0.00 55.69 52.72 1s6i s MET 44 Cb 0.06 -2.46 -0.17 0.00 2.01 0.00 0.00 34.83 34.26 1s6i s MET 44 CO 0.11 0.30 1.55 0.93 -0.01 0.00 0.00 175.02 177.89 1s6i h GLU 45 N 1.49 -1.00 -1.52 2.03 5.08 -2.00 -2.10 114.58 116.54 1s6i h GLU 45 Ca -0.47 0.07 0.44 0.00 -1.00 0.00 0.00 59.36 58.40 1s6i h GLU 45 Cb 1.25 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 1s6i h GLU 45 CO 0.60 -0.67 1.17 1.03 -1.00 0.00 0.00 179.01 180.15 1s6i h SER 46 N -1.04 0.00 -0.14 1.42 0.87 -2.00 0.79 113.55 113.45 1s6i h SER 46 Ca -0.07 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.32 1s6i h SER 46 Cb 0.89 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1s6i h SER 46 CO -0.02 0.00 -0.56 -0.33 -0.53 0.00 0.00 176.83 175.39 1s6i h GLU 47 N 0.00 0.63 0.32 2.24 4.39 -1.79 -3.18 114.58 117.19 1s6i h GLU 47 Ca 0.72 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1s6i h GLU 47 Cb 3.06 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 31.78 1s6i h GLU 47 CO -0.01 1.11 -0.37 0.82 -1.16 0.00 0.00 179.01 179.40 1s6i h ILE 48 N 0.29 0.25 -1.03 3.13 5.03 0.83 -0.63 117.51 125.38 1s6i h ILE 48 Ca -0.03 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.01 1s6i h ILE 48 Cb 1.19 0.25 -0.04 0.00 -3.03 0.00 0.00 36.82 35.19 1s6i h ILE 48 CO 0.12 0.00 0.85 0.50 -0.68 0.00 0.00 178.15 178.94 1s6i h LYS 49 N -0.73 0.00 0.12 2.37 3.64 -1.53 0.46 116.57 120.89 1s6i h LYS 49 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1s6i h LYS 49 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1s6i h LYS 49 CO -0.09 0.00 -0.06 0.22 -2.27 0.00 0.00 179.45 177.25 1s6i h ASP 50 N 0.00 -0.13 -0.91 4.20 3.58 -1.12 -1.73 116.42 120.31 1s6i h ASP 50 Ca 0.49 -0.38 0.15 0.00 0.42 0.00 0.00 57.03 57.70 1s6i h ASP 50 Cb 2.18 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 43.19 1s6i h ASP 50 CO -0.01 0.48 0.59 0.25 -2.88 0.00 0.00 179.24 177.67 1s6i h LEU 51 N -0.92 0.69 0.11 2.28 5.85 -0.16 0.00 115.31 123.16 1s6i h LEU 51 Ca -0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1s6i h LEU 51 Cb 0.51 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1s6i h LEU 51 CO 0.03 0.34 -0.05 -0.03 -0.34 0.00 0.00 178.44 178.39 1s6i h MET 52 N 0.73 -0.14 -0.34 1.25 4.05 -1.18 -1.25 114.93 118.05 1s6i h MET 52 Ca 0.46 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.99 1s6i h MET 52 Cb 0.71 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1s6i h MET 52 CO -0.22 -0.09 0.35 0.38 0.23 0.00 0.00 176.91 177.56 1s6i h ASP 53 N -0.40 0.00 0.17 1.39 2.03 -1.27 1.07 116.42 119.40 1s6i h ASP 53 Ca -0.01 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.96 1s6i h ASP 53 Cb 0.11 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1s6i h ASP 53 CO 0.02 0.00 -1.66 0.00 -1.03 0.00 0.00 179.24 176.58 1s6i h ALA 54 N 1.62 0.16 0.00 4.15 0.00 -1.08 -3.42 119.26 120.69 1s6i h ALA 54 Ca 0.16 -1.13 -0.41 0.00 0.00 0.00 0.00 54.91 53.53 1s6i h ALA 54 Cb 0.86 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1s6i h ALA 54 CO -0.00 0.97 -2.48 0.00 0.00 0.00 0.00 179.25 177.73 1s6i n ALA 55 N -2.90 1.37 -1.52 0.00 0.00 -0.47 -4.89 120.51 112.11 1s6i n ALA 55 Ca -0.25 -1.09 -0.35 0.00 0.00 0.00 0.00 53.44 51.74 1s6i n ALA 55 Cb 1.02 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 20.34 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 -3.58 0.67 0.32 0.00 -0.08 0.36 -4.70 116.55 109.55 1s6i n ASP 56 Ca -0.48 -0.20 0.16 0.00 -1.51 0.00 0.00 54.79 52.75 1s6i n ASP 56 Cb 0.95 -1.09 0.84 0.00 2.34 0.00 0.00 41.12 44.16 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1s6i h ILE 57 N 7.77 0.00 -0.86 5.18 1.08 -1.84 -0.96 117.51 127.88 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 1.26 0.68 -0.41 0.00 -3.07 0.00 0.00 36.82 35.28 1s6i h ILE 57 CO 1.34 0.00 -0.99 0.47 -0.69 0.00 0.00 178.15 178.28 1s6i n ASP 58 N -2.85 2.95 -2.76 1.72 8.00 -1.26 -5.06 116.55 117.28 1s6i n ASP 58 Ca -0.02 -2.94 -0.16 0.00 0.71 0.00 0.00 54.79 52.38 1s6i n ASP 58 Cb 0.34 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.47 0.00 -0.20 -1.24 3.00 -0.37 -4.62 118.16 114.27 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 0.82 -0.68 0.07 0.00 0.00 0.00 0.00 35.03 35.25 1s6i n LYS 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1s6i n SER 60 N 4.00 1.41 -0.93 3.14 7.64 -1.26 -4.94 113.62 122.67 1s6i n SER 60 Ca 0.41 -2.51 -0.10 0.00 1.01 0.00 0.00 58.87 57.69 1s6i n SER 60 Cb 0.07 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6i n GLY 61 N -0.79 0.75 3.63 0.23 0.00 -1.26 -4.98 105.19 102.76 1s6i n GLY 61 Ca 0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.43 -0.00 -0.16 2.61 2.01 -1.23 -2.53 115.64 113.90 1s6i s THR 62 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1s6i s THR 62 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1s6i s THR 62 CO 0.00 0.00 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.28 1s6i s ILE 63 N 1.64 4.04 0.38 1.82 1.01 0.55 -4.84 121.20 125.80 1s6i s ILE 63 Ca -0.10 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1s6i s ILE 63 Cb -0.05 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1s6i s ILE 63 CO -0.20 0.49 0.38 -1.81 0.00 0.00 0.00 174.94 173.81 1s6i s ASP 64 N 0.34 5.33 0.23 3.58 1.01 -1.26 -0.81 116.67 125.09 1s6i s ASP 64 Ca -0.03 -0.54 -0.00 0.00 0.71 0.00 0.00 52.55 52.69 1s6i s ASP 64 Cb -0.14 -0.81 0.53 0.00 1.01 0.00 0.00 42.92 43.52 1s6i s ASP 64 CO 0.02 -0.53 1.19 0.00 0.21 0.00 0.00 175.17 176.07 1s6i n TYR 65 N -1.54 0.44 0.20 4.23 9.36 -1.26 0.26 117.16 128.86 1s6i n TYR 65 Ca 0.02 0.92 -0.13 0.00 3.32 0.00 0.00 57.90 62.03 1s6i n TYR 65 Cb 0.60 -1.04 -0.07 0.00 -0.63 0.00 0.00 39.34 38.20 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 -0.57 1.33 2.98 0.00 -2.01 -2.82 103.07 101.99 1s6i h GLY 66 Ca 0.44 0.21 0.04 0.00 0.00 0.00 0.00 47.33 48.02 1s6i h GLY 66 CO -0.73 -0.21 0.29 0.83 0.00 0.00 0.00 176.54 176.72 1s6i h GLU 67 N -0.95 0.00 0.34 4.80 5.08 -1.05 -2.32 114.58 120.48 1s6i h GLU 67 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1s6i h GLU 67 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1s6i h GLU 67 CO 0.09 0.00 -0.16 0.35 -1.00 0.00 0.00 179.01 178.29 1s6i h PHE 68 N 0.00 -0.42 -0.89 4.33 3.57 -0.01 -3.09 116.94 120.42 1s6i h PHE 68 Ca 0.07 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1s6i h PHE 68 Cb 0.65 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.44 1s6i h PHE 68 CO 0.00 -0.26 0.49 0.82 -2.23 0.00 0.00 178.31 177.13 1s6i h ILE 69 N -0.69 0.75 -0.53 1.41 1.08 -1.19 0.10 117.51 118.44 1s6i h ILE 69 Ca -0.05 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.27 1s6i h ILE 69 Cb 0.35 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 1s6i h ILE 69 CO 0.08 0.13 0.36 0.00 -0.69 0.00 0.00 178.15 178.02 1s6i h ALA 70 N 1.57 2.05 0.00 1.87 0.00 -1.52 0.56 119.26 123.79 1s6i h ALA 70 Ca 0.49 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 1s6i h ALA 70 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1s6i h ALA 70 CO -0.35 -0.16 -0.72 0.00 0.00 0.00 0.00 179.25 178.01 1s6i h ALA 71 N 1.73 0.64 -0.00 0.00 0.00 -0.73 -3.11 119.26 117.78 1s6i h ALA 71 Ca 0.24 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s6i h ALA 71 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s6i h ALA 71 CO -0.06 0.91 -0.65 0.25 0.00 0.00 0.00 179.25 179.69 1s6i n THR 72 N -3.44 0.00 0.48 0.00 -2.24 0.01 -4.04 114.28 105.06 1s6i n THR 72 Ca 0.00 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1s6i n THR 72 Cb 0.77 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1s6i n THR 72 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1s6i n VAL 73 N -1.16 0.15 -0.02 2.28 3.14 0.18 -3.37 118.33 119.53 1s6i n VAL 73 Ca 0.06 -0.28 -0.16 0.00 -2.96 0.00 0.00 64.34 61.01 1s6i n VAL 73 Cb 0.35 0.22 -0.11 0.00 -1.06 0.00 0.00 33.84 33.24 1s6i n VAL 73 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1s6i h HIS 74 N 0.00 0.31 0.00 1.45 6.17 -1.68 -3.04 115.15 118.36 1s6i h HIS 74 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1s6i h HIS 74 Cb 0.77 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.67 1s6i h HIS 74 CO 0.00 0.98 0.00 1.37 0.71 0.00 0.00 177.93 180.99 1s6i h LEU 75 N -0.45 0.00 -7.81 0.26 -0.00 -1.74 -3.38 115.31 102.20 1s6i h LEU 75 Ca -0.04 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.22 1s6i h LEU 75 Cb 1.07 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.66 1s6i h LEU 75 CO 0.06 0.00 2.03 -3.20 -0.00 0.00 0.00 178.44 177.34 1s6i n ASN 76 N -2.34 4.54 0.00 0.17 5.15 -1.15 -4.19 115.26 117.45 1s6i n ASN 76 Ca 0.03 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1s6i n ASN 76 Cb 0.30 -1.74 0.00 0.00 -0.53 0.00 0.00 39.78 37.81 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1s6i n LYS 77 N 8.29 0.00 0.15 1.20 4.76 -1.26 -4.93 118.16 126.36 1s6i n LYS 77 Ca 0.48 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1s6i n LYS 77 Cb 0.46 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 1s6i n LYS 77 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1s6i n LEU 78 N -1.95 -2.67 -3.90 -0.35 7.94 -1.26 -5.16 117.00 109.64 1s6i n LEU 78 Ca 0.00 0.70 -0.09 0.00 -1.11 0.00 0.00 56.01 55.52 1s6i n LEU 78 Cb 0.09 2.64 -0.08 0.00 0.53 0.00 0.00 43.42 46.61 1s6i n LEU 78 CO 0.00 0.16 -0.13 -1.61 -1.11 0.00 0.00 177.39 174.70 1s6i s GLU 79 N -1.86 0.83 0.11 1.96 2.02 -1.26 -5.13 118.70 115.38 1s6i s GLU 79 Ca 0.00 -1.02 -0.31 0.00 0.02 0.00 0.00 54.97 53.66 1s6i s GLU 79 Cb 0.00 0.32 -0.09 0.00 0.10 0.00 0.00 34.13 34.46 1s6i s GLU 79 CO 0.00 -0.26 1.63 -0.98 0.02 0.00 0.00 175.26 175.67 1s6i s ARG 80 N -3.88 4.20 -0.00 1.61 1.70 -1.26 -4.88 118.95 116.44 1s6i s ARG 80 Ca 0.06 2.36 0.00 0.00 -0.47 0.00 0.00 55.73 57.69 1s6i s ARG 80 Cb 0.05 -3.41 0.01 0.00 -0.57 0.00 0.00 34.95 31.03 1s6i s ARG 80 CO -0.10 -0.69 0.86 0.39 -1.08 0.00 0.00 175.30 174.69 1s6i n GLU 81 N 4.90 2.09 -2.85 3.89 1.02 -1.26 -5.01 120.64 123.42 1s6i n GLU 81 Ca 0.15 -1.24 -0.43 0.00 -0.02 0.00 0.00 57.16 55.63 1s6i n GLU 81 Cb 0.39 -0.86 -0.04 0.00 -0.02 0.00 0.00 31.44 30.91 1s6i n GLU 81 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s6i s GLU 82 N -0.75 3.64 0.00 3.49 2.02 -1.26 -4.99 118.70 120.86 1s6i s GLU 82 Ca 0.01 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1s6i s GLU 82 Cb 0.01 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.36 1s6i s GLU 82 CO 0.00 -1.08 0.00 0.27 0.02 0.00 0.00 175.26 174.47 1s6i n ASN 83 N 6.91 0.38 -0.24 -0.19 6.94 -1.26 -5.02 115.26 122.79 1s6i n ASN 83 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.64 1s6i n ASN 83 Cb 0.48 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.16 1s6i n ASN 83 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1s6i h LEU 84 N 0.00 0.85 -1.73 -4.53 7.12 -1.99 -1.84 115.31 113.19 1s6i h LEU 84 Ca 0.00 -0.01 0.15 0.00 0.13 0.00 0.00 57.88 58.15 1s6i h LEU 84 Cb 0.00 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 39.91 1s6i h LEU 84 CO 0.00 0.59 0.64 1.62 -0.13 0.00 0.00 178.44 181.15 1s6i h VAL 85 N 0.99 0.25 -0.91 1.05 3.04 -1.95 -1.70 116.25 117.01 1s6i h VAL 85 Ca 0.31 0.00 0.25 0.00 -1.01 0.00 0.00 66.70 66.26 1s6i h VAL 85 Cb 0.03 0.48 -0.16 0.00 -2.01 0.00 0.00 31.29 29.63 1s6i h VAL 85 CO -0.09 0.00 0.16 0.77 -1.01 0.00 0.00 177.57 177.40 1s6i h SER 86 N 0.00 -0.19 0.18 3.17 4.64 -1.71 -0.66 113.55 118.98 1s6i h SER 86 Ca 0.25 0.23 -0.35 0.00 -0.47 0.00 0.00 61.79 61.45 1s6i h SER 86 Cb 1.52 0.36 -0.02 0.00 -0.31 0.00 0.00 62.40 63.95 1s6i h SER 86 CO -0.00 -0.25 -1.95 0.00 -0.87 0.00 0.00 176.83 173.75 1s6i n ALA 87 N -2.86 0.96 -0.02 5.18 0.00 -0.65 -3.77 120.51 119.36 1s6i n ALA 87 Ca 0.22 -0.60 0.21 0.00 0.00 0.00 0.00 53.44 53.27 1s6i n ALA 87 Cb 0.73 -0.71 0.48 0.00 0.00 0.00 0.00 19.45 19.95 1s6i n ALA 87 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1s6i h PHE 88 N 0.06 0.00 0.07 0.00 3.57 -1.08 1.31 116.94 120.88 1s6i h PHE 88 Ca -0.40 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 60.82 1s6i h PHE 88 Cb 2.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.75 1s6i h PHE 88 CO 0.07 0.00 -1.52 1.03 -2.23 0.00 0.00 178.31 175.66 1s6i h SER 89 N 0.00 0.22 0.00 0.41 0.87 -1.39 -3.21 113.55 110.44 1s6i h SER 89 Ca 0.31 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1s6i h SER 89 Cb 2.16 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 64.05 1s6i h SER 89 CO -0.00 1.63 -0.05 0.22 -0.53 0.00 0.00 176.83 178.10 1s6i h TYR 90 N -0.50 0.00 0.37 2.24 3.20 0.32 -3.30 116.97 119.31 1s6i h TYR 90 Ca -0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1s6i h TYR 90 Cb 1.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 1s6i h TYR 90 CO 0.10 0.00 -0.28 0.74 -1.64 0.00 0.00 178.16 177.08 1s6i h PHE 91 N -0.63 -0.77 0.00 -3.82 -1.00 0.10 -2.83 116.94 107.99 1s6i h PHE 91 Ca 0.00 -0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1s6i h PHE 91 Cb 0.05 0.29 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1s6i h PHE 91 CO -0.02 -0.40 3.00 -3.47 -1.61 0.00 0.00 178.31 175.81 1s6i n ASP 92 N -4.09 4.44 0.18 2.17 2.03 -1.02 -4.65 116.55 115.61 1s6i n ASP 92 Ca -0.08 -2.71 0.18 0.00 0.52 0.00 0.00 54.79 52.71 1s6i n ASP 92 Cb 0.27 -1.45 0.81 0.00 -0.72 0.00 0.00 41.12 40.03 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s6i h LYS 93 N 6.34 0.00 0.00 -0.67 3.64 -1.57 0.39 116.57 124.69 1s6i h LYS 93 Ca 0.58 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.94 1s6i h LYS 93 Cb 0.54 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1s6i h LYS 93 CO 1.85 0.00 -0.48 -0.44 -2.27 0.00 0.00 179.45 178.11 1s6i h ASP 94 N 0.00 0.00 -6.79 4.20 5.19 -1.85 -3.49 116.42 113.68 1s6i h ASP 94 Ca 0.11 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.01 1s6i h ASP 94 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1s6i h ASP 94 CO -0.00 0.07 -1.05 0.61 -3.12 0.00 0.00 179.24 175.75 1s6i n GLY 95 N 1.15 -1.14 0.00 2.75 0.00 0.14 -4.83 105.19 103.26 1s6i n GLY 95 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.39 3.90 0.00 1.61 3.41 -1.26 -4.99 113.62 113.91 1s6i n SER 96 Ca -0.26 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1s6i n SER 96 Cb 0.64 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 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 2.03 0.87 3.08 5.00 0.00 -1.26 -5.04 105.19 109.88 1s6i n GLY 97 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.66 0.70 -0.28 1.61 1.51 -1.26 -0.08 117.35 117.89 1s6i s TYR 98 Ca 0.00 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1s6i s TYR 98 Cb 0.00 -0.42 0.09 0.00 -0.11 0.00 0.00 41.96 41.52 1s6i s TYR 98 CO 0.00 -0.10 0.07 0.42 -1.11 0.00 0.00 175.55 174.83 1s6i s ILE 99 N -1.82 0.98 0.46 2.71 1.01 0.59 -4.71 121.20 120.42 1s6i s ILE 99 Ca -0.06 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.10 1s6i s ILE 99 Cb -0.07 -1.64 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 1s6i s ILE 99 CO -0.01 -0.53 0.96 0.42 0.00 0.00 0.00 174.94 175.79 1s6i s THR 100 N 1.59 4.41 0.33 2.92 -4.23 -1.26 0.10 115.64 119.50 1s6i s THR 100 Ca 0.06 1.39 0.26 0.00 -1.18 0.00 0.00 61.69 62.22 1s6i s THR 100 Cb -0.17 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.43 1s6i s THR 100 CO -0.19 -0.44 1.13 0.00 -0.54 0.00 0.00 174.62 174.58 1s6i n LEU 101 N -0.96 0.12 0.08 4.79 -0.00 -0.83 0.81 117.00 121.02 1s6i n LEU 101 Ca 0.07 0.95 -0.12 0.00 -0.00 0.00 0.00 56.01 56.91 1s6i n LEU 101 Cb 0.54 -0.47 -0.05 0.00 -0.00 0.00 0.00 43.42 43.44 1s6i n LEU 101 CO 0.40 -1.02 0.66 0.44 -0.00 0.00 0.00 177.39 177.88 1s6i h ASP 102 N 0.00 -0.87 0.33 1.45 5.19 -1.89 0.46 116.42 121.09 1s6i h ASP 102 Ca 0.64 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 57.11 1s6i h ASP 102 Cb 2.17 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 42.01 1s6i h ASP 102 CO -0.28 -0.37 -0.25 -0.33 -3.12 0.00 0.00 179.24 174.89 1s6i h GLU 103 N -0.48 0.00 0.18 3.56 5.08 0.08 -2.38 114.58 120.62 1s6i h GLU 103 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1s6i h GLU 103 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1s6i h GLU 103 CO -0.22 0.25 -0.09 0.82 -1.00 0.00 0.00 179.01 178.78 1s6i h ILE 104 N 0.00 0.00 -0.80 3.13 2.04 -0.82 -2.14 117.51 118.91 1s6i h ILE 104 Ca -0.00 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.76 1s6i h ILE 104 Cb 0.48 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.44 1s6i h ILE 104 CO 0.03 0.00 0.20 1.56 0.00 0.00 0.00 178.15 179.95 1s6i h GLN 105 N -0.53 0.24 -0.53 2.37 1.08 -0.17 0.54 115.11 118.12 1s6i h GLN 105 Ca -0.02 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1s6i h GLN 105 Cb 0.18 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1s6i h GLN 105 CO 0.04 0.16 0.16 0.37 -0.95 0.00 0.00 178.83 178.61 1s6i h GLN 106 N 0.25 0.83 0.00 1.46 4.15 -1.54 -2.45 115.11 117.81 1s6i h GLN 106 Ca 0.47 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1s6i h GLN 106 Cb 0.87 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1s6i h GLN 106 CO -0.57 0.77 0.00 0.00 -1.93 0.00 0.00 178.83 177.09 1s6i n ALA 107 N -2.38 2.08 -3.86 3.38 0.00 0.07 -4.30 120.51 115.49 1s6i n ALA 107 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1s6i n ALA 107 Cb 0.20 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 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 6.76 0.00 0.00 0.00 1.57 -1.76 -3.35 116.57 119.79 1s6i h LYS 109 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1s6i h LYS 109 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1s6i h LYS 109 CO 0.59 0.92 0.00 -0.44 -0.57 0.00 0.00 179.45 179.95 1s6i h ASP 110 N -1.00 0.00 0.22 0.86 5.19 -1.96 -2.92 116.42 116.81 1s6i h ASP 110 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1s6i h ASP 110 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1s6i h ASP 110 CO -0.17 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.44 1s6i n PHE 111 N -2.73 0.21 -2.08 4.55 3.01 -1.26 -4.82 117.46 114.34 1s6i n PHE 111 Ca 0.01 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1s6i n PHE 111 Cb 0.29 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 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 -0.88 0.71 2.52 1.37 0.00 -1.10 -4.84 105.19 102.98 1s6i n GLY 112 Ca 0.01 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.22 0.58 -3.63 0.99 -0.00 -1.26 -4.55 117.00 108.90 1s6i n LEU 113 Ca 0.00 0.53 -0.12 0.00 -0.00 0.00 0.00 56.01 56.41 1s6i n LEU 113 Cb 0.46 -0.70 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1s6i n LEU 113 CO 0.00 -0.60 0.45 -0.62 -0.00 0.00 0.00 177.39 176.62 1s6i s ASP 114 N 4.67 -0.74 0.00 1.96 2.15 -1.26 -4.95 116.67 118.50 1s6i s ASP 114 Ca 0.93 1.39 0.00 0.00 0.43 0.00 0.00 52.55 55.30 1s6i s ASP 114 Cb -1.16 1.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 1s6i s ASP 114 CO 0.51 -0.24 0.74 0.47 -0.17 0.00 0.00 175.17 176.49 1s6i n ASP 115 N 2.87 0.00 -0.07 -0.34 9.92 -1.26 -1.15 116.55 126.52 1s6i n ASP 115 Ca -0.15 0.26 -0.05 0.00 -0.53 0.00 0.00 54.79 54.32 1s6i n ASP 115 Cb 0.56 -0.26 -0.02 0.00 -0.64 0.00 0.00 41.12 40.76 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1s6i h ILE 116 N 0.00 0.04 0.00 0.53 2.04 -1.95 -3.38 117.51 114.79 1s6i h ILE 116 Ca 0.00 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1s6i h ILE 116 Cb 0.44 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1s6i h ILE 116 CO 0.00 0.01 -0.60 1.41 0.00 0.00 0.00 178.15 178.97 1s6i n HIS 117 N -4.62 0.86 -0.19 1.37 8.25 -0.88 -4.11 115.22 115.90 1s6i n HIS 117 Ca -0.08 0.37 0.30 0.00 -0.26 0.00 0.00 57.72 58.06 1s6i n HIS 117 Cb 0.26 -0.77 0.71 0.00 1.12 0.00 0.00 29.99 31.31 1s6i n HIS 117 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s6i h ILE 118 N -1.00 0.35 0.11 1.59 6.09 -1.38 0.10 117.51 123.38 1s6i h ILE 118 Ca -0.02 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.46 1s6i h ILE 118 Cb 0.60 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.31 1s6i h ILE 118 CO -0.01 0.00 -0.05 -0.78 -3.07 0.00 0.00 178.15 174.23 1s6i h ASP 119 N 0.00 -0.13 -0.33 2.19 3.58 -1.71 -1.02 116.42 119.01 1s6i h ASP 119 Ca 0.45 -0.23 0.09 0.00 0.42 0.00 0.00 57.03 57.76 1s6i h ASP 119 Cb 2.02 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 43.09 1s6i h ASP 119 CO -0.00 0.17 0.25 -0.78 -2.88 0.00 0.00 179.24 175.99 1s6i h ASP 120 N -0.43 0.00 -0.55 2.28 1.82 -0.97 0.21 116.42 118.78 1s6i h ASP 120 Ca -0.02 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1s6i h ASP 120 Cb 0.35 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 1s6i h ASP 120 CO 0.03 0.00 -0.07 -0.03 -1.61 0.00 0.00 179.24 177.55 1s6i h MET 121 N 0.00 1.03 -0.75 0.28 4.05 -0.77 1.94 114.93 120.71 1s6i h MET 121 Ca 0.16 -0.36 0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1s6i h MET 121 Cb 0.65 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.32 1s6i h MET 121 CO -0.00 1.05 0.44 0.82 0.23 0.00 0.00 176.91 179.44 1s6i h ILE 122 N 0.92 1.00 0.00 1.77 1.08 0.70 0.90 117.51 123.88 1s6i h ILE 122 Ca 0.15 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1s6i h ILE 122 Cb 0.63 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1s6i h ILE 122 CO 0.04 0.15 -0.25 0.29 -0.69 0.00 0.00 178.15 177.69 1s6i n LYS 123 N -4.71 0.19 0.09 2.37 4.76 -0.93 -1.10 118.16 118.83 1s6i n LYS 123 Ca 0.10 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.77 1s6i n LYS 123 Cb 0.17 -1.67 0.13 0.00 -1.84 0.00 0.00 35.03 31.82 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1s6i h GLU 124 N 0.00 0.00 0.00 1.97 4.81 0.81 -3.38 114.58 118.80 1s6i h GLU 124 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1s6i h GLU 124 Cb 0.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1s6i h GLU 124 CO 0.00 0.00 -1.28 -0.89 -0.73 0.00 0.00 179.01 176.11 1s6i n ILE 125 N -2.40 0.29 -2.33 2.32 2.08 0.26 -4.86 119.36 114.71 1s6i n ILE 125 Ca 0.02 -0.16 -0.36 0.00 0.56 0.00 0.00 62.75 62.81 1s6i n ILE 125 Cb 0.48 -0.85 -0.04 0.00 -0.75 0.00 0.00 39.64 38.49 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1s6i s ASP 126 N -3.72 5.87 0.00 4.38 -1.08 -0.26 -4.73 116.67 117.14 1s6i s ASP 126 Ca -0.03 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.37 1s6i s ASP 126 Cb 0.01 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 39.79 1s6i s ASP 126 CO 0.16 -2.06 1.66 0.00 0.52 0.00 0.00 175.17 175.45 1s6i n GLN 127 N 8.96 0.18 -0.05 4.34 3.00 -1.26 -4.31 117.38 128.25 1s6i n GLN 127 Ca 0.31 -0.07 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 1s6i n GLN 127 Cb 0.49 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.18 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1s6i n ASP 128 N -1.34 3.04 0.00 1.08 8.00 -1.26 -4.96 116.55 121.11 1s6i n ASP 128 Ca 0.08 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1s6i n ASP 128 Cb 0.33 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1s6i n ASN 129 N -2.49 0.00 -0.80 -2.24 2.04 -1.26 -4.86 115.26 105.65 1s6i n ASN 129 Ca -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.99 1s6i n ASN 129 Cb 0.74 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.99 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 -0.19 0.51 -3.47 0.53 8.00 -1.26 -4.71 116.55 115.97 1s6i n ASP 130 Ca 0.00 -0.46 -0.25 0.00 0.71 0.00 0.00 54.79 54.78 1s6i n ASP 130 Cb 0.00 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.69 -0.51 3.27 0.44 0.00 -1.26 -4.60 105.19 103.21 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 -6.16 1.28 -0.09 1.61 -2.07 -1.26 -1.96 119.66 111.02 1s6i s GLN 132 Ca 0.49 -1.68 0.03 0.00 -1.82 0.00 0.00 55.36 52.38 1s6i s GLN 132 Cb -0.23 -0.09 0.01 0.00 -1.09 0.00 0.00 33.01 31.60 1s6i s GLN 132 CO 0.60 -0.30 -0.19 0.42 -1.32 0.00 0.00 175.29 174.50 1s6i s ILE 133 N -3.87 1.69 0.22 3.63 1.01 0.11 -4.03 121.20 119.97 1s6i s ILE 133 Ca 0.35 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1s6i s ILE 133 Cb 0.07 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1s6i s ILE 133 CO 0.11 0.48 0.29 -0.62 0.00 0.00 0.00 174.94 175.20 1s6i s ASP 134 N 0.52 6.07 0.50 3.58 2.15 -1.26 0.22 116.67 128.45 1s6i s ASP 134 Ca -0.16 0.00 0.35 0.00 0.43 0.00 0.00 52.55 53.16 1s6i s ASP 134 Cb -0.17 -1.73 1.48 0.00 -0.30 0.00 0.00 42.92 42.20 1s6i s ASP 134 CO 0.06 -0.03 1.71 0.22 -0.17 0.00 0.00 175.17 176.97 1s6i h TYR 135 N 1.54 0.24 0.21 -5.34 3.20 -0.87 1.31 116.97 117.26 1s6i h TYR 135 Ca -0.50 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.06 1s6i h TYR 135 Cb 1.22 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.45 1s6i h TYR 135 CO 0.50 -0.03 -1.43 0.78 -1.64 0.00 0.00 178.16 176.34 1s6i h GLY 136 N 0.09 0.50 1.01 1.82 0.00 -1.84 -3.07 103.07 101.59 1s6i h GLY 136 Ca 0.70 -1.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1s6i h GLY 136 CO -0.15 1.12 -0.38 0.83 0.00 0.00 0.00 176.54 177.95 1s6i h GLU 137 N 0.12 -1.03 -0.07 4.80 5.08 0.13 0.28 114.58 123.89 1s6i h GLU 137 Ca -0.22 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1s6i h GLU 137 Cb 2.10 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.58 1s6i h GLU 137 CO 0.24 -0.68 0.07 0.35 -1.00 0.00 0.00 179.01 177.99 1s6i h PHE 138 N -1.07 0.00 0.16 4.33 3.57 -0.85 1.09 116.94 124.17 1s6i h PHE 138 Ca -0.11 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.10 1s6i h PHE 138 Cb 0.82 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.57 1s6i h PHE 138 CO -0.02 0.00 -1.30 0.00 -2.23 0.00 0.00 178.31 174.76 1s6i h ALA 139 N 1.93 0.03 0.00 2.41 0.00 -1.35 -3.30 119.26 118.97 1s6i h ALA 139 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1s6i h ALA 139 Cb 0.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s6i h ALA 139 CO -0.00 0.87 -0.71 0.00 0.00 0.00 0.00 179.25 179.41 1s6i n ALA 140 N -2.59 3.11 0.29 0.00 0.00 0.96 -3.85 120.51 118.43 1s6i n ALA 140 Ca -0.11 -0.30 0.17 0.00 0.00 0.00 0.00 53.44 53.20 1s6i n ALA 140 Cb 1.04 -1.12 0.91 0.00 0.00 0.00 0.00 19.45 20.28 1s6i n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h MET 141 N 0.00 0.00 -1.33 0.00 3.00 0.11 0.25 114.93 116.97 1s6i h MET 141 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 59.70 59.20 1s6i h MET 141 Cb 0.71 0.00 -0.41 0.00 0.00 0.00 0.00 31.60 31.90 1s6i h MET 141 CO 0.00 0.00 -0.91 0.00 0.00 0.00 0.00 176.91 176.00 1s6i n MET 142 N -2.77 2.53 -1.03 -0.10 0.00 -1.25 -5.09 117.12 109.40 1s6i n MET 142 Ca -0.02 -4.02 -0.37 0.00 0.00 0.00 0.00 57.70 53.29 1s6i n MET 142 Cb 0.18 -1.85 -0.04 0.00 0.00 0.00 0.00 33.22 31.51 1s6i n MET 142 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1s6i n ARG 143 N -0.31 0.00 0.04 3.17 1.85 0.89 -4.92 116.66 117.38 1s6i n ARG 143 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1s6i n ARG 143 Cb 0.72 -0.85 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1s6i n LYS 144 N 0.85 0.00 -2.56 2.89 5.02 -1.26 -4.97 118.16 118.13 1s6i n LYS 144 Ca 0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1s6i n LYS 144 Cb 0.13 -0.43 0.08 0.00 -0.02 0.00 0.00 35.03 34.79 1s6i n LYS 144 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1s6i n ARG 145 N -3.28 1.35 -1.39 1.97 1.85 -1.26 -5.09 116.66 110.80 1s6i n ARG 145 Ca 0.00 -2.22 -0.50 0.00 -1.00 0.00 0.00 57.85 54.13 1s6i n ARG 145 Cb 0.16 -0.45 -0.12 0.00 -1.05 0.00 0.00 32.46 31.00 1s6i n ARG 145 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1s6i n LYS 146 N -0.92 0.22 -0.07 2.89 5.02 -1.26 -4.78 118.16 119.25 1s6i n LYS 146 Ca -0.07 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 1s6i n LYS 146 Cb 0.85 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1s6i n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s6i n GLY 147 N 6.89 -0.56 3.31 0.72 0.00 -1.26 -5.04 105.19 109.25 1s6i n GLY 147 Ca 0.56 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 1s6i n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6i s ASN 148 N -6.53 -0.03 0.52 1.61 2.20 -1.26 -5.01 114.94 106.44 1s6i s ASN 148 Ca -0.25 -0.63 0.11 0.00 -0.94 0.00 0.00 52.86 51.15 1s6i s ASN 148 Cb 0.08 0.43 0.38 0.00 -2.00 0.00 0.00 41.25 40.13 1s6i s ASN 148 CO 0.70 -0.85 0.94 0.61 -2.94 0.00 0.00 177.10 175.57 1s6i n GLY 149 N -0.18 -0.52 0.00 0.45 0.00 -1.26 0.05 105.19 103.73 1s6i n GLY 149 Ca -0.12 0.15 0.00 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 -1.44 -0.22 0.00 -0.02 0.00 -1.26 -3.95 105.19 98.30 1s6i n GLY 150 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1s6i n GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s6i n ILE 151 N -1.22 0.00 0.00 -0.61 5.41 0.11 -4.97 119.36 118.08 1s6i n ILE 151 Ca 0.00 0.70 0.00 0.00 1.00 0.00 0.00 62.75 64.45 1s6i n ILE 151 Cb 0.00 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6i n GLY 152 N -0.51 -0.17 3.58 7.39 0.00 -1.25 -4.82 105.19 109.39 1s6i n GLY 152 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1s6i n GLY 152 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6i s ARG 153 N 0.00 3.44 0.06 1.61 1.70 -1.21 -4.50 118.95 120.04 1s6i s ARG 153 Ca 0.00 -1.52 0.05 0.00 -0.47 0.00 0.00 55.73 53.79 1s6i s ARG 153 Cb 0.00 -5.40 -0.03 0.00 -0.57 0.00 0.00 34.95 28.95 1s6i s ARG 153 CO 0.00 -2.78 -0.14 0.50 -1.08 0.00 0.00 175.30 171.80 1s6i s ARG 154 N 5.12 0.85 0.34 3.89 6.06 -1.26 -4.85 118.95 129.09 1s6i s ARG 154 Ca 0.58 -0.87 0.26 0.00 -2.50 0.00 0.00 55.73 53.20 1s6i s ARG 154 Cb 0.01 -0.85 1.10 0.00 0.06 0.00 0.00 34.95 35.28 1s6i s ARG 154 CO 0.06 0.20 1.79 1.15 -2.50 0.00 0.00 175.30 175.99 1s6i h THR 155 N 4.38 0.00 -0.21 4.11 2.02 -1.91 -2.98 112.91 118.33 1s6i h THR 155 Ca -0.40 -0.29 -0.21 0.00 0.77 0.00 0.00 66.41 66.28 1s6i h THR 155 Cb 1.19 1.08 -0.38 0.00 -1.74 0.00 0.00 68.15 68.30 1s6i h THR 155 CO 0.42 0.00 -1.06 1.15 0.37 0.00 0.00 175.52 176.40 1s6i n MET 156 N -2.46 0.91 0.08 6.66 0.00 -1.26 -4.88 117.12 116.17 1s6i n MET 156 Ca 0.02 -2.76 0.05 0.00 0.00 0.00 0.00 57.70 55.00 1s6i n MET 156 Cb 0.24 -0.82 0.26 0.00 0.00 0.00 0.00 33.22 32.90 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 -0.07 0.06 0.00 3.17 -4.01 -1.13 -3.68 116.66 111.01 1s6i n ARG 157 Ca 0.08 0.54 0.00 0.00 -1.04 0.00 0.00 57.85 57.42 1s6i n ARG 157 Cb 0.98 -1.76 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 1s6i n ARG 157 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1s6i n LYS 158 N -1.82 0.00 0.00 2.89 3.00 -1.26 -4.98 118.16 115.99 1s6i n LYS 158 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1s6i n LYS 158 Cb 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1s6i n LYS 158 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1s6i n THR 159 N -0.20 0.00 -3.64 3.15 -2.24 -1.24 -5.14 114.28 104.97 1s6i n THR 159 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1s6i n THR 159 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1s6i n THR 159 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1s6i s LEU 160 N -4.23 -1.06 0.23 3.22 0.20 -1.26 -5.12 118.68 110.67 1s6i s LEU 160 Ca 0.00 1.52 0.09 0.00 0.69 0.00 0.00 54.13 56.43 1s6i s LEU 160 Cb 0.00 2.31 -0.04 0.00 -0.43 0.00 0.00 46.19 48.02 1s6i s LEU 160 CO 0.00 -0.22 -0.01 0.21 -0.29 0.00 0.00 176.35 176.04 1s6i s ASN 161 N 2.45 4.59 0.00 3.68 2.47 -1.26 -5.10 114.94 121.77 1s6i s ASN 161 Ca -0.07 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.64 1s6i s ASN 161 Cb -0.09 -0.89 0.00 0.00 -1.45 0.00 0.00 41.25 38.82 1s6i s ASN 161 CO -0.19 0.03 0.00 0.18 -3.72 0.00 0.00 177.10 173.40 1s6i n LEU 162 N -0.62 2.02 -4.39 3.21 4.32 -1.26 -4.86 117.00 115.42 1s6i n LEU 162 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.50 1s6i n LEU 162 Cb 0.58 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.27 1s6i n LEU 162 CO 0.39 0.00 -0.12 -0.13 -1.22 0.00 0.00 177.39 176.31 1s6i s ARG 163 N 0.00 2.85 0.35 3.23 1.81 -1.26 -5.08 118.95 120.85 1s6i s ARG 163 Ca 0.00 -1.10 -0.18 0.00 -1.72 0.00 0.00 55.73 52.73 1s6i s ARG 163 Cb 0.00 -3.82 -0.10 0.00 -0.45 0.00 0.00 34.95 30.58 1s6i s ARG 163 CO 0.00 -0.75 0.81 -0.51 -0.68 0.00 0.00 175.30 174.17 1s6i s ASP 164 N 1.66 6.86 0.06 0.23 1.11 -1.26 -5.04 116.67 120.29 1s6i s ASP 164 Ca 0.03 1.43 0.08 0.00 0.18 0.00 0.00 52.55 54.27 1s6i s ASP 164 Cb -0.20 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1s6i s ASP 164 CO 0.07 -0.23 -0.19 0.00 1.18 0.00 0.00 175.17 176.00 1s6i s ALA 165 N -2.00 2.57 -0.20 5.23 0.00 -1.26 -5.02 121.76 121.09 1s6i s ALA 165 Ca 0.56 -1.24 0.12 0.00 0.00 0.00 0.00 51.96 51.39 1s6i s ALA 165 Cb -0.11 -0.68 -0.16 0.00 0.00 0.00 0.00 23.12 22.16 1s6i s ALA 165 CO 0.17 0.57 0.34 1.28 0.00 0.00 0.00 175.76 178.12 1s6i n LEU 166 N 1.40 0.19 0.00 0.00 4.32 -1.26 -5.08 117.00 116.56 1s6i n LEU 166 Ca -0.16 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1s6i n LEU 166 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1s6i n LEU 166 CO 0.27 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 1s6i n GLY 167 N 1.63 1.72 3.63 -0.72 0.00 -1.26 -4.85 105.19 105.34 1s6i n GLY 167 Ca -0.01 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1s6i n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6i s LEU 168 N 0.00 3.86 0.09 0.99 0.20 -1.26 -4.92 118.68 117.64 1s6i s LEU 168 Ca 0.00 2.05 -0.31 0.00 0.69 0.00 0.00 54.13 56.56 1s6i s LEU 168 Cb 0.00 -3.52 -0.08 0.00 -0.43 0.00 0.00 46.19 42.16 1s6i s LEU 168 CO 0.00 -1.50 1.50 0.68 -0.29 0.00 0.00 176.35 176.74 1s6i s VAL 169 N 6.31 3.19 0.04 1.68 -7.23 -1.26 -4.76 120.40 118.37 1s6i s VAL 169 Ca 0.89 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1s6i s VAL 169 Cb -0.34 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1s6i s VAL 169 CO 0.36 0.03 0.00 -0.67 -0.31 0.00 0.00 175.10 174.50 1s6i n ASP 170 N 4.74 -0.24 0.09 4.85 2.03 -1.26 -4.91 116.55 121.84 1s6i n ASP 170 Ca 0.14 0.07 -0.01 0.00 0.52 0.00 0.00 54.79 55.50 1s6i n ASP 170 Cb 0.41 0.50 0.25 0.00 -0.72 0.00 0.00 41.12 41.56 1s6i n ASP 170 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1s6i h ASN 171 N 0.00 0.28 -4.04 1.67 -0.73 -2.02 -3.44 115.58 107.29 1s6i h ASN 171 Ca 0.00 -0.10 -0.18 0.00 1.87 0.00 0.00 56.30 57.89 1s6i h ASN 171 Cb 0.00 -0.08 -0.25 0.00 0.27 0.00 0.00 38.32 38.26 1s6i h ASN 171 CO 0.00 0.60 -0.51 -0.83 -0.37 0.00 0.00 177.43 176.32 1s6i s GLY 172 N -4.16 -0.09 -0.36 1.57 0.00 -1.26 -5.12 107.32 97.91 1s6i s GLY 172 Ca -0.05 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 1s6i s GLY 172 CO 0.77 0.27 0.20 -0.56 0.00 0.00 0.00 173.10 173.77 1s6i s SER 173 N -0.22 3.23 0.00 1.64 0.01 -1.26 -4.83 113.70 112.27 1s6i s SER 173 Ca -0.03 -2.13 0.00 0.00 1.31 0.00 0.00 55.95 55.10 1s6i s SER 173 Cb -0.03 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1s6i s SER 173 CO 0.01 -0.32 0.00 -3.20 0.41 0.00 0.00 173.24 170.13 1s6i n ASN 174 N 4.14 0.00 -3.66 2.44 2.85 -1.26 -5.12 115.26 114.65 1s6i n ASN 174 Ca 0.08 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.29 1s6i n ASN 174 Cb 0.37 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.22 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1s6i s GLN 175 N 0.02 0.27 -0.33 1.20 -1.52 -1.26 -5.11 119.66 112.94 1s6i s GLN 175 Ca 0.00 -0.17 0.02 0.00 -1.95 0.00 0.00 55.36 53.27 1s6i s GLN 175 Cb 0.00 -1.83 0.09 0.00 -0.22 0.00 0.00 33.01 31.05 1s6i s GLN 175 CO 0.00 -0.63 0.03 0.08 -0.25 0.00 0.00 175.29 174.52 1s6i s VAL 176 N 2.04 2.45 -0.08 1.09 1.01 -1.26 -5.09 120.40 120.55 1s6i s VAL 176 Ca 0.01 -2.05 -0.20 0.00 0.00 0.00 0.00 61.98 59.75 1s6i s VAL 176 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1s6i s VAL 176 CO -0.08 -0.43 0.54 -0.63 0.00 0.00 0.00 175.10 174.50 1s6i s ILE 177 N 1.01 5.11 -0.24 2.22 -1.09 -1.26 -5.06 121.20 121.89 1s6i s ILE 177 Ca 0.04 1.10 -0.06 0.00 -2.23 0.00 0.00 60.65 59.50 1s6i s ILE 177 Cb -0.20 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1s6i s ILE 177 CO -0.06 0.33 0.04 -0.70 -1.23 0.00 0.00 174.94 173.32 1s6i s GLU 178 N 0.47 3.55 -0.46 2.79 2.12 -1.26 -5.07 118.70 120.84 1s6i s GLU 178 Ca 0.29 -0.54 -0.10 0.00 0.36 0.00 0.00 54.97 54.98 1s6i s GLU 178 Cb -0.16 -3.25 0.11 0.00 0.26 0.00 0.00 34.13 31.09 1s6i s GLU 178 CO 0.13 -0.21 0.34 0.20 -0.54 0.00 0.00 175.26 175.19 1s6i s GLY 179 N 1.57 2.03 0.73 -1.50 0.00 -1.26 -5.08 107.32 103.81 1s6i s GLY 179 Ca 0.06 -2.42 -0.13 0.00 0.00 0.00 0.00 44.72 42.24 1s6i s GLY 179 CO 0.02 1.08 1.11 -2.52 0.00 0.00 0.00 173.10 172.79 1s6i s TYR 180 N 1.42 2.48 0.00 1.90 -0.85 -1.26 -4.90 117.35 116.14 1s6i s TYR 180 Ca 0.05 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.17 1s6i s TYR 180 Cb -0.26 -3.16 0.00 0.00 0.38 0.00 0.00 41.96 38.92 1s6i s TYR 180 CO 0.01 -1.89 0.00 0.34 -1.52 0.00 0.00 175.55 172.49 1s6i n PHE 181 N -2.99 -0.41 -1.79 -3.49 7.35 -1.26 -5.31 117.46 109.56 1s6i n PHE 181 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1s6i n PHE 181 Cb 0.52 0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1s6i n PHE 181 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17