#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 3.37 -0.10 0.00 2.12 -1.26 -4.79 118.70 118.04 1s6i s GLU 2 Ca 0.00 -2.47 0.14 0.00 0.36 0.00 0.00 54.97 53.00 1s6i s GLU 2 Cb 0.00 -4.27 0.24 0.00 0.26 0.00 0.00 34.13 30.36 1s6i s GLU 2 CO 0.00 -1.27 1.12 0.54 -0.54 0.00 0.00 175.26 175.12 1s6i n ARG 3 N 3.88 0.93 -0.25 4.30 5.12 -1.26 -4.67 116.66 124.71 1s6i n ARG 3 Ca 0.12 -2.25 0.04 0.00 -1.93 0.00 0.00 57.85 53.83 1s6i n ARG 3 Cb 0.45 -1.18 0.06 0.00 -1.16 0.00 0.00 32.46 30.63 1s6i n ARG 3 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1s6i n LEU 4 N -0.92 1.12 -0.03 0.55 -0.00 -1.26 -4.76 117.00 111.70 1s6i n LEU 4 Ca 0.12 -1.88 -0.16 0.00 -0.00 0.00 0.00 56.01 54.08 1s6i n LEU 4 Cb 0.69 -0.18 -0.14 0.00 -0.00 0.00 0.00 43.42 43.79 1s6i n LEU 4 CO -0.00 0.44 -0.83 -1.54 -0.00 0.00 0.00 177.39 175.47 1s6i n SER 5 N -0.64 1.59 -3.62 1.45 3.41 -1.26 -4.61 113.62 109.92 1s6i n SER 5 Ca 0.07 0.21 -0.27 0.00 -0.26 0.00 0.00 58.87 58.61 1s6i n SER 5 Cb 0.63 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1s6i n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s6i n GLU 6 N -3.27 2.13 0.03 4.33 1.02 -1.26 -4.84 120.64 118.78 1s6i n GLU 6 Ca -0.30 -4.52 0.12 0.00 -0.02 0.00 0.00 57.16 52.44 1s6i n GLU 6 Cb 1.05 -2.23 0.21 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.39 0.16 0.00 3.49 -0.58 -1.26 -4.02 120.64 119.82 1s6i n GLU 7 Ca 0.25 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1s6i n GLU 7 Cb 0.39 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1s6i n GLU 7 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1s6i n GLU 8 N -1.83 0.00 0.00 3.49 0.28 -1.26 -4.85 120.64 116.48 1s6i n GLU 8 Ca 0.04 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1s6i n GLU 8 Cb 0.39 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.24 1s6i n GLU 8 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1s6i n ILE 9 N -1.78 0.00 -3.64 3.84 -5.35 -1.26 -5.11 119.36 106.05 1s6i n ILE 9 Ca 0.00 0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.85 1s6i n ILE 9 Cb 0.00 -1.33 -0.01 0.00 -1.74 0.00 0.00 39.64 36.56 1s6i n ILE 9 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s6i s GLY 10 N -2.26 -0.34 0.00 3.28 0.00 -1.26 -4.99 107.32 101.76 1s6i s GLY 10 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1s6i s GLY 10 CO 0.00 0.17 0.68 0.61 0.00 0.00 0.00 173.10 174.55 1s6i n GLY 11 N -0.37 1.59 0.35 0.20 0.00 -1.26 -4.27 105.19 101.43 1s6i n GLY 11 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1s6i n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6i h LEU 12 N 0.57 0.00 0.11 0.99 3.38 -1.94 -1.06 115.31 117.36 1s6i h LEU 12 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6i h LEU 12 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1s6i h LEU 12 CO 0.00 0.00 -0.07 0.50 0.09 0.00 0.00 178.44 178.96 1s6i h LYS 13 N 0.00 -0.17 -0.06 1.13 3.64 -1.98 0.30 116.57 119.43 1s6i h LYS 13 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1s6i h LYS 13 Cb 0.88 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1s6i h LYS 13 CO -0.00 -0.12 -0.06 1.49 -2.27 0.00 0.00 179.45 178.49 1s6i h GLU 14 N -0.18 0.09 -0.01 1.90 4.81 -1.57 -0.52 114.58 119.10 1s6i h GLU 14 Ca -0.01 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1s6i h GLU 14 Cb 0.15 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1s6i h GLU 14 CO 0.01 0.16 -0.44 1.25 -0.73 0.00 0.00 179.01 179.26 1s6i h LEU 15 N 0.09 0.03 -0.03 1.64 5.85 -0.99 0.25 115.31 122.16 1s6i h LEU 15 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1s6i h LEU 15 Cb 0.17 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1s6i h LEU 15 CO 0.01 0.47 -0.01 0.15 -0.34 0.00 0.00 178.44 178.72 1s6i h PHE 16 N 0.03 0.06 0.00 1.25 3.57 0.12 -2.62 116.94 119.35 1s6i h PHE 16 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1s6i h PHE 16 Cb 0.79 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1s6i h PHE 16 CO 0.00 0.44 0.00 0.36 -2.23 0.00 0.00 178.31 176.89 1s6i n LYS 17 N -4.85 0.14 0.21 1.11 2.85 -1.02 -2.12 118.16 114.48 1s6i n LYS 17 Ca -0.08 0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.46 1s6i n LYS 17 Cb 0.23 -1.71 0.47 0.00 -0.65 0.00 0.00 35.03 33.37 1s6i n LYS 17 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1s6i h MET 18 N 0.00 0.00 0.00 -1.58 4.05 -0.11 -3.15 114.93 114.14 1s6i h MET 18 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1s6i h MET 18 Cb 0.51 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1s6i h MET 18 CO 0.00 0.27 -0.11 0.82 0.23 0.00 0.00 176.91 178.12 1s6i h ILE 19 N 0.00 0.84 -0.33 1.77 2.04 -1.30 -3.38 117.51 117.16 1s6i h ILE 19 Ca -0.00 -1.66 -0.70 0.00 1.00 0.00 0.00 64.86 63.50 1s6i h ILE 19 Cb 0.51 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1s6i h ILE 19 CO 0.03 0.29 3.30 -0.90 0.00 0.00 0.00 178.15 180.87 1s6i n ASP 20 N -4.67 7.37 0.03 1.72 5.68 -1.19 -3.97 116.55 121.53 1s6i n ASP 20 Ca -0.07 -2.78 0.13 0.00 -0.50 0.00 0.00 54.79 51.58 1s6i n ASP 20 Cb 0.27 -1.54 0.48 0.00 -1.14 0.00 0.00 41.12 39.19 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1s6i n THR 21 N 3.51 0.20 0.00 2.12 5.66 -1.22 -4.02 114.28 120.52 1s6i n THR 21 Ca 0.67 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.57 1s6i n THR 21 Cb 0.28 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.77 0.06 0.00 1.09 5.68 -1.26 -4.98 116.55 115.37 1s6i n ASP 22 Ca 0.06 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1s6i n ASP 22 Cb 0.37 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1s6i n ASN 23 N -0.09 0.00 0.00 -1.12 5.15 -1.26 -4.97 115.26 112.97 1s6i n ASN 23 Ca 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 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 -0.40 0.00 0.00 1.20 3.41 -1.26 -4.96 113.62 111.60 1s6i n SER 24 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 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 1.57 3.00 5.00 0.00 -1.26 -5.12 105.19 108.39 1s6i n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.20 -0.46 2.61 -4.23 -1.26 -4.78 115.64 105.72 1s6i s THR 26 Ca 0.00 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1s6i s THR 26 Cb 0.00 -0.41 0.09 0.00 1.34 0.00 0.00 72.50 73.53 1s6i s THR 26 CO 0.00 -0.51 0.34 -0.63 -0.54 0.00 0.00 174.62 173.28 1s6i s ILE 27 N -1.60 4.61 0.29 2.99 1.01 0.09 -4.53 121.20 124.07 1s6i s ILE 27 Ca -0.13 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.18 1s6i s ILE 27 Cb -0.09 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1s6i s ILE 27 CO -0.01 -0.63 0.29 0.42 0.00 0.00 0.00 174.94 175.02 1s6i s THR 28 N 1.49 4.18 0.32 2.92 -4.23 -1.26 0.18 115.64 119.25 1s6i s THR 28 Ca 0.04 -1.28 0.23 0.00 -1.18 0.00 0.00 61.69 59.51 1s6i s THR 28 Cb -0.25 -3.39 0.36 0.00 1.34 0.00 0.00 72.50 70.56 1s6i s THR 28 CO 0.03 -0.26 1.11 0.33 -0.54 0.00 0.00 174.62 175.29 1s6i n PHE 29 N -1.35 0.49 0.06 3.99 -0.00 -1.00 0.25 117.46 119.90 1s6i n PHE 29 Ca -0.05 0.50 -0.21 0.00 -0.00 0.00 0.00 57.45 57.69 1s6i n PHE 29 Cb 0.58 -0.89 -0.12 0.00 -0.00 0.00 0.00 39.48 39.05 1s6i n PHE 29 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1s6i h ASP 30 N 0.00 0.80 0.81 -2.13 3.58 -1.93 -3.30 116.42 114.25 1s6i h ASP 30 Ca 0.63 -0.81 -0.19 0.00 0.42 0.00 0.00 57.03 57.08 1s6i h ASP 30 Cb 2.04 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.81 1s6i h ASP 30 CO -0.33 1.52 -0.87 -0.08 -2.88 0.00 0.00 179.24 176.60 1s6i h GLU 31 N 0.18 0.04 -0.95 0.28 4.57 0.30 -2.92 114.58 116.07 1s6i h GLU 31 Ca -0.16 -0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.19 1s6i h GLU 31 Cb 1.76 0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 30.18 1s6i h GLU 31 CO 0.21 0.88 -0.14 1.25 -1.18 0.00 0.00 179.01 180.03 1s6i h LEU 32 N 0.02 -0.72 0.02 1.64 7.12 0.89 0.43 115.31 124.71 1s6i h LEU 32 Ca -0.02 0.28 -0.26 0.00 0.13 0.00 0.00 57.88 58.01 1s6i h LEU 32 Cb 1.53 0.54 -0.04 0.00 -0.53 0.00 0.00 40.66 42.16 1s6i h LEU 32 CO 0.12 -0.32 -1.39 0.07 -0.13 0.00 0.00 178.44 176.79 1s6i h LYS 33 N 0.01 0.04 -0.80 1.25 2.10 -1.71 -3.37 116.57 114.09 1s6i h LYS 33 Ca 0.50 -0.06 0.19 0.00 -2.00 0.00 0.00 60.65 59.28 1s6i h LYS 33 Cb 0.87 0.02 -0.13 0.00 -0.90 0.00 0.00 32.23 32.09 1s6i h LYS 33 CO -0.94 0.79 0.13 0.22 -2.00 0.00 0.00 179.45 177.65 1s6i h ASP 34 N 0.01 -0.15 -0.57 7.07 1.82 0.05 0.17 116.42 124.82 1s6i h ASP 34 Ca -0.17 0.19 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 1s6i h ASP 34 Cb 1.91 0.29 -0.03 0.00 0.68 0.00 0.00 39.33 42.18 1s6i h ASP 34 CO 0.11 -0.14 0.21 1.23 -1.61 0.00 0.00 179.24 179.04 1s6i h GLY 35 N 0.18 0.98 0.43 -0.78 0.00 -1.53 -0.42 103.07 101.92 1s6i h GLY 35 Ca 0.47 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1s6i h GLY 35 CO -0.63 0.50 -0.17 1.41 0.00 0.00 0.00 176.54 177.65 1s6i h LEU 36 N 0.89 -0.40 -2.25 3.11 -0.00 -0.95 -3.17 115.31 112.54 1s6i h LEU 36 Ca 0.20 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1s6i h LEU 36 Cb 0.23 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1s6i h LEU 36 CO -0.01 0.06 0.09 0.11 -0.00 0.00 0.00 178.44 178.69 1s6i h LYS 37 N -1.05 0.00 -0.10 1.13 6.56 -0.93 -0.72 116.57 121.46 1s6i h LYS 37 Ca -0.05 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1s6i h LYS 37 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1s6i h LYS 37 CO 0.08 0.00 0.03 -0.09 -2.06 0.00 0.00 179.45 177.41 1s6i h ARG 38 N 0.00 0.07 0.00 3.15 2.43 -1.07 -1.93 114.38 117.03 1s6i h ARG 38 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1s6i h ARG 38 Cb 0.23 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1s6i h ARG 38 CO -0.00 0.05 0.00 1.33 -1.51 0.00 0.00 179.97 179.84 1s6i n VAL 39 N -5.07 0.61 0.00 0.20 0.24 -0.72 -4.89 118.33 108.70 1s6i n VAL 39 Ca -0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1s6i n VAL 39 Cb 0.05 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 1s6i n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s6i n GLY 40 N 0.99 2.10 3.59 7.63 0.00 -0.73 -5.11 105.19 113.67 1s6i n GLY 40 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1s6i n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6i n SER 41 N 0.00 0.14 -3.77 1.61 7.64 -0.36 -4.82 113.62 114.07 1s6i n SER 41 Ca 0.00 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.22 1s6i n SER 41 Cb 0.00 -1.38 -0.15 0.00 -1.01 0.00 0.00 64.21 61.67 1s6i n SER 41 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1s6i s GLU 42 N -3.32 0.83 0.38 1.43 1.03 -1.26 -3.01 118.70 114.77 1s6i s GLU 42 Ca 0.71 -0.89 0.08 0.00 0.03 0.00 0.00 54.97 54.90 1s6i s GLU 42 Cb -0.34 -2.12 -0.06 0.00 -0.80 0.00 0.00 34.13 30.81 1s6i s GLU 42 CO 0.52 -0.84 0.06 -0.48 -1.33 0.00 0.00 175.26 173.19 1s6i s LEU 43 N 1.64 2.98 0.34 1.83 0.05 -1.26 -5.07 118.68 119.20 1s6i s LEU 43 Ca 0.05 -1.12 0.08 0.00 0.05 0.00 0.00 54.13 53.19 1s6i s LEU 43 Cb -0.17 -1.25 -0.04 0.00 -2.05 0.00 0.00 46.19 42.68 1s6i s LEU 43 CO -0.18 -0.38 0.20 0.00 -0.55 0.00 0.00 176.35 175.45 1s6i s MET 44 N -3.76 2.49 0.14 1.48 0.23 -1.26 -5.03 119.30 113.60 1s6i s MET 44 Ca 0.37 -1.46 -0.26 0.00 -1.03 0.00 0.00 55.69 53.30 1s6i s MET 44 Cb 0.04 -2.28 -0.01 0.00 -1.53 0.00 0.00 34.83 31.04 1s6i s MET 44 CO 0.20 0.10 1.60 0.93 -2.03 0.00 0.00 175.02 175.81 1s6i h GLU 45 N 1.43 -0.38 -0.49 3.16 3.07 -2.01 -0.16 114.58 119.20 1s6i h GLU 45 Ca -0.44 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.59 1s6i h GLU 45 Cb 1.25 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 1s6i h GLU 45 CO 0.62 -0.25 0.68 1.03 -1.40 0.00 0.00 179.01 179.68 1s6i h SER 46 N -0.39 0.00 0.02 1.42 0.87 -1.98 1.12 113.55 114.61 1s6i h SER 46 Ca 0.11 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 1s6i h SER 46 Cb 0.57 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1s6i h SER 46 CO -0.41 0.00 -0.54 -0.33 -0.53 0.00 0.00 176.83 175.01 1s6i h GLU 47 N 0.00 0.56 0.65 2.24 5.08 -1.39 -1.03 114.58 120.69 1s6i h GLU 47 Ca 0.23 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1s6i h GLU 47 Cb 1.59 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1s6i h GLU 47 CO -0.00 0.95 -0.31 0.82 -1.00 0.00 0.00 179.01 179.47 1s6i h ILE 48 N 0.43 0.00 -0.61 3.13 5.03 0.13 -0.81 117.51 124.81 1s6i h ILE 48 Ca 0.01 -0.30 0.15 0.00 -0.12 0.00 0.00 64.86 64.60 1s6i h ILE 48 Cb 1.08 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.84 1s6i h ILE 48 CO 0.10 0.00 0.43 0.50 -0.68 0.00 0.00 178.15 178.50 1s6i h LYS 49 N -1.17 0.12 -0.15 2.37 3.64 -1.44 -0.02 116.57 119.92 1s6i h LYS 49 Ca -0.09 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1s6i h LYS 49 Cb 0.67 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1s6i h LYS 49 CO 0.15 0.08 -0.24 0.22 -2.27 0.00 0.00 179.45 177.38 1s6i h ASP 50 N 0.13 0.48 0.53 4.20 3.58 -1.09 -2.04 116.42 122.21 1s6i h ASP 50 Ca 0.29 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1s6i h ASP 50 Cb 0.98 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1s6i h ASP 50 CO -0.04 0.92 0.00 0.25 -2.88 0.00 0.00 179.24 177.49 1s6i h LEU 51 N 0.06 0.00 0.00 2.28 5.85 0.47 0.45 115.31 124.42 1s6i h LEU 51 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1s6i h LEU 51 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1s6i h LEU 51 CO 0.06 0.00 -0.25 0.24 -0.34 0.00 0.00 178.44 178.15 1s6i h MET 52 N 0.00 0.00 0.01 1.25 2.86 -0.94 0.27 114.93 118.38 1s6i h MET 52 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1s6i h MET 52 Cb 0.26 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.94 1s6i h MET 52 CO 0.00 0.00 -1.05 0.38 1.06 0.00 0.00 176.91 177.30 1s6i h ASP 53 N -0.92 0.86 1.65 1.22 2.03 -1.39 0.11 116.42 119.98 1s6i h ASP 53 Ca 0.00 -0.70 0.00 0.00 -0.73 0.00 0.00 57.03 55.60 1s6i h ASP 53 Cb 0.25 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1s6i h ASP 53 CO 0.00 1.50 -0.26 0.00 -1.03 0.00 0.00 179.24 179.45 1s6i h ALA 54 N 0.44 0.86 0.00 4.15 0.00 -1.11 -3.42 119.26 120.19 1s6i h ALA 54 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s6i h ALA 54 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1s6i h ALA 54 CO 0.20 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.83 1s6i n ALA 55 N -2.06 2.40 -1.60 0.00 0.00 -1.14 -4.99 120.51 113.11 1s6i n ALA 55 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1s6i n ALA 55 Cb 0.52 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 1s6i n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6i s ASP 56 N -4.17 5.16 0.60 0.00 2.15 0.92 -4.54 116.67 116.79 1s6i s ASP 56 Ca 0.00 1.64 0.28 0.00 0.43 0.00 0.00 52.55 54.90 1s6i s ASP 56 Cb 0.00 -2.51 1.34 0.00 -0.30 0.00 0.00 42.92 41.46 1s6i s ASP 56 CO 0.00 -2.23 1.75 0.40 -0.17 0.00 0.00 175.17 174.92 1s6i h ILE 57 N 7.31 0.24 -0.85 4.11 2.04 -1.83 -1.04 117.51 127.49 1s6i h ILE 57 Ca -0.36 0.00 -0.42 0.00 1.00 0.00 0.00 64.86 65.08 1s6i h ILE 57 Cb 1.25 0.47 -0.41 0.00 -0.74 0.00 0.00 36.82 37.39 1s6i h ILE 57 CO 1.02 0.00 -0.98 0.47 0.00 0.00 0.00 178.15 178.66 1s6i n ASP 58 N -3.51 3.11 -2.70 1.72 8.00 -1.26 -5.06 116.55 116.86 1s6i n ASP 58 Ca 0.11 -2.99 -0.16 0.00 0.71 0.00 0.00 54.79 52.46 1s6i n ASP 58 Cb 0.84 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.50 0.00 -0.01 -1.24 0.00 -0.40 -4.59 118.16 111.43 1s6i n LYS 59 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.55 1s6i n LYS 59 Cb 0.83 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 35.19 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 3.98 1.21 0.00 3.14 3.41 -1.26 -4.96 113.62 119.14 1s6i n SER 60 Ca 0.40 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1s6i n SER 60 Cb 0.07 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.33 0.45 3.37 5.00 0.00 -1.26 -5.02 105.19 107.40 1s6i n GLY 61 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1s6i n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6i s THR 62 N -2.00 -0.22 -0.14 2.61 2.01 -1.23 -2.39 115.64 114.28 1s6i s THR 62 Ca 0.00 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1s6i s THR 62 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1s6i s THR 62 CO 0.00 0.03 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.33 1s6i s ILE 63 N 1.81 4.17 0.39 1.82 1.01 0.49 -4.84 121.20 126.04 1s6i s ILE 63 Ca -0.08 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1s6i s ILE 63 Cb -0.09 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1s6i s ILE 63 CO -0.15 0.51 0.39 -1.81 0.00 0.00 0.00 174.94 173.88 1s6i s ASP 64 N 0.05 5.27 0.23 3.58 1.01 -1.26 -0.73 116.67 124.83 1s6i s ASP 64 Ca 0.02 -0.58 -0.02 0.00 0.71 0.00 0.00 52.55 52.67 1s6i s ASP 64 Cb -0.13 -0.75 0.49 0.00 1.01 0.00 0.00 42.92 43.54 1s6i s ASP 64 CO 0.02 -0.56 1.24 0.00 0.21 0.00 0.00 175.17 176.08 1s6i n TYR 65 N -1.54 0.40 0.22 4.23 9.36 -1.26 0.24 117.16 128.80 1s6i n TYR 65 Ca 0.02 0.96 -0.09 0.00 3.32 0.00 0.00 57.90 62.11 1s6i n TYR 65 Cb 0.60 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 38.24 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 -0.60 0.47 2.98 0.00 -2.01 -2.91 103.07 101.00 1s6i h GLY 66 Ca 0.43 0.22 0.17 0.00 0.00 0.00 0.00 47.33 48.15 1s6i h GLY 66 CO -0.78 -0.22 0.60 0.83 0.00 0.00 0.00 176.54 176.97 1s6i h GLU 67 N -0.76 0.00 0.75 4.80 5.08 -1.60 -1.42 114.58 121.43 1s6i h GLU 67 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1s6i h GLU 67 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1s6i h GLU 67 CO 0.10 0.00 -0.36 0.35 -1.00 0.00 0.00 179.01 178.10 1s6i h PHE 68 N 0.00 -0.93 -0.20 4.33 3.57 -0.10 -2.26 116.94 121.35 1s6i h PHE 68 Ca 0.28 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1s6i h PHE 68 Cb 1.47 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 40.48 1s6i h PHE 68 CO 0.00 -0.58 -0.09 0.82 -2.23 0.00 0.00 178.31 176.23 1s6i h ILE 69 N -1.09 0.71 0.00 1.41 1.08 -1.08 0.18 117.51 118.72 1s6i h ILE 69 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1s6i h ILE 69 Cb 0.77 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1s6i h ILE 69 CO 0.17 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.63 1s6i n ALA 70 N -2.49 1.17 -0.11 1.87 0.00 -0.99 -1.64 120.51 118.32 1s6i n ALA 70 Ca -0.02 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1s6i n ALA 70 Cb 0.17 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1s6i n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 71 N -1.65 0.88 -0.05 0.00 0.00 0.10 -4.32 120.51 115.47 1s6i n ALA 71 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.60 1s6i n ALA 71 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 1s6i n ALA 71 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6i h THR 72 N -1.00 1.10 -0.78 0.00 1.35 -0.57 -2.71 112.91 110.30 1s6i h THR 72 Ca -0.34 -0.28 0.23 0.00 -0.55 0.00 0.00 66.41 65.47 1s6i h THR 72 Cb 1.21 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1s6i h THR 72 CO -0.21 0.10 0.57 0.58 -0.25 0.00 0.00 175.52 176.31 1s6i h VAL 73 N 0.21 0.60 -0.22 6.82 2.07 -1.55 1.49 116.25 125.67 1s6i h VAL 73 Ca 0.07 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 1s6i h VAL 73 Cb 0.06 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1s6i h VAL 73 CO -0.01 0.00 -0.62 0.45 0.02 0.00 0.00 177.57 177.41 1s6i h HIS 74 N 0.00 1.05 -0.18 1.57 3.86 -1.67 -2.58 115.15 117.19 1s6i h HIS 74 Ca 0.37 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1s6i h HIS 74 Cb 1.50 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1s6i h HIS 74 CO 0.00 1.24 0.00 1.28 0.86 0.00 0.00 177.93 181.31 1s6i n LEU 75 N -4.02 1.80 -4.18 2.43 4.32 0.74 -4.55 117.00 113.55 1s6i n LEU 75 Ca -0.06 -0.76 -0.44 0.00 -0.02 0.00 0.00 56.01 54.74 1s6i n LEU 75 Cb 0.66 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1s6i n LEU 75 CO 0.51 0.38 1.28 -3.20 -1.22 0.00 0.00 177.39 175.14 1s6i n ASN 76 N 0.42 5.61 0.00 -1.43 5.15 0.48 -4.24 115.26 121.24 1s6i n ASN 76 Ca 0.16 -3.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 1s6i n ASN 76 Cb 0.35 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 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 3.27 0.00 -3.93 1.20 4.76 -1.26 -4.89 118.16 117.30 1s6i n LYS 77 Ca 0.31 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.45 1s6i n LYS 77 Cb 0.38 -0.37 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 1s6i n LYS 77 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6i s LEU 78 N -3.14 2.91 0.45 -0.35 2.01 -1.26 -4.99 118.68 114.31 1s6i s LEU 78 Ca 0.00 -1.40 0.30 0.00 0.01 0.00 0.00 54.13 53.04 1s6i s LEU 78 Cb 0.00 -1.22 1.40 0.00 0.01 0.00 0.00 46.19 46.38 1s6i s LEU 78 CO 0.00 -0.28 1.67 -0.08 1.01 0.00 0.00 176.35 178.67 1s6i h GLU 79 N 7.91 0.13 -4.61 1.70 4.81 -1.96 -3.28 114.58 119.28 1s6i h GLU 79 Ca -0.15 -0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.36 1s6i h GLU 79 Cb 1.05 -0.03 -0.20 0.00 0.63 0.00 0.00 28.75 30.20 1s6i h GLU 79 CO 0.44 0.09 -0.03 0.50 -0.73 0.00 0.00 179.01 179.28 1s6i s ARG 80 N -5.26 3.05 -0.46 1.92 3.52 -1.26 -4.90 118.95 115.56 1s6i s ARG 80 Ca -0.07 -1.27 0.04 0.00 -0.13 0.00 0.00 55.73 54.30 1s6i s ARG 80 Cb 0.28 -4.20 0.60 0.00 -1.56 0.00 0.00 34.95 30.06 1s6i s ARG 80 CO 0.82 -1.34 1.85 -0.85 -0.81 0.00 0.00 175.30 174.97 1s6i n GLU 81 N 5.93 2.29 -2.26 5.12 0.28 -1.24 -4.93 120.64 125.84 1s6i n GLU 81 Ca -0.10 -3.12 -0.36 0.00 -0.16 0.00 0.00 57.16 53.42 1s6i n GLU 81 Cb 0.43 -2.14 -0.04 0.00 1.43 0.00 0.00 31.44 31.12 1s6i n GLU 81 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1s6i s GLU 82 N -3.39 2.93 -0.27 3.44 2.12 -1.26 -4.90 118.70 117.36 1s6i s GLU 82 Ca 0.56 -0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.59 1s6i s GLU 82 Cb 0.47 -4.72 0.10 0.00 0.26 0.00 0.00 34.13 30.23 1s6i s GLU 82 CO 0.07 -2.67 0.63 0.54 -0.54 0.00 0.00 175.26 173.29 1s6i s ASN 83 N 6.48 -0.94 0.37 -1.70 2.20 -1.26 -5.01 114.94 115.07 1s6i s ASN 83 Ca 0.56 1.45 0.27 0.00 -0.94 0.00 0.00 52.86 54.20 1s6i s ASN 83 Cb -0.07 1.67 0.89 0.00 -2.00 0.00 0.00 41.25 41.73 1s6i s ASN 83 CO 0.07 -0.23 1.78 0.17 -2.94 0.00 0.00 177.10 175.95 1s6i h LEU 84 N 7.46 0.00 -0.99 3.54 -0.00 -2.03 -3.27 115.31 120.01 1s6i h LEU 84 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1s6i h LEU 84 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1s6i h LEU 84 CO 0.15 0.00 0.60 -0.37 -0.00 0.00 0.00 178.44 178.82 1s6i h VAL 85 N 0.00 0.00 -0.36 0.15 -1.51 -1.97 -3.16 116.25 109.40 1s6i h VAL 85 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1s6i h VAL 85 Cb 0.65 0.33 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1s6i h VAL 85 CO 0.00 0.00 -0.21 -1.20 -1.23 0.00 0.00 177.57 174.93 1s6i n SER 86 N -2.57 -0.38 -0.01 4.19 7.64 -1.24 -0.33 113.62 120.93 1s6i n SER 86 Ca -0.01 1.03 -0.15 0.00 1.01 0.00 0.00 58.87 60.75 1s6i n SER 86 Cb 0.63 -0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 1s6i n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6i h ALA 87 N -0.21 0.40 -0.53 -0.43 0.00 -1.81 -3.04 119.26 113.64 1s6i h ALA 87 Ca 0.06 -0.60 0.15 0.00 0.00 0.00 0.00 54.91 54.52 1s6i h ALA 87 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1s6i h ALA 87 CO -0.34 0.70 0.96 0.35 0.00 0.00 0.00 179.25 180.93 1s6i h PHE 88 N 0.48 0.00 0.11 0.00 3.57 -0.80 1.50 116.94 121.80 1s6i h PHE 88 Ca -0.04 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.13 1s6i h PHE 88 Cb 1.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1s6i h PHE 88 CO 0.07 0.00 -1.73 1.03 -2.23 0.00 0.00 178.31 175.45 1s6i h SER 89 N 0.00 0.36 0.00 0.41 0.87 -0.84 -3.06 113.55 111.29 1s6i h SER 89 Ca 0.25 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1s6i h SER 89 Cb 2.16 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1s6i h SER 89 CO -0.00 1.74 -0.10 0.22 -0.53 0.00 0.00 176.83 178.16 1s6i h TYR 90 N -0.19 0.00 0.27 2.24 3.20 0.83 -3.12 116.97 120.19 1s6i h TYR 90 Ca -0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1s6i h TYR 90 Cb 1.86 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 1s6i h TYR 90 CO 0.09 0.00 -0.37 0.74 -1.64 0.00 0.00 178.16 176.98 1s6i h PHE 91 N -0.71 -1.06 0.00 -3.82 -1.00 0.14 -0.64 116.94 109.85 1s6i h PHE 91 Ca 0.00 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.61 1s6i h PHE 91 Cb 0.10 0.43 -0.06 0.00 3.61 0.00 0.00 35.95 40.02 1s6i h PHE 91 CO -0.04 -0.47 -0.28 -0.25 -1.61 0.00 0.00 178.31 175.66 1s6i n ASP 92 N -4.64 5.03 -0.35 2.17 8.00 -1.14 -4.69 116.55 120.94 1s6i n ASP 92 Ca -0.08 -2.43 -0.09 0.00 0.71 0.00 0.00 54.79 52.90 1s6i n ASP 92 Cb 0.32 -1.35 -0.08 0.00 -0.02 0.00 0.00 41.12 39.99 1s6i n ASP 92 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s6i n LYS 93 N 2.54 -0.36 0.17 -1.24 4.81 -0.25 0.62 118.16 124.45 1s6i n LYS 93 Ca 0.41 1.26 0.10 0.00 -0.87 0.00 0.00 58.31 59.21 1s6i n LYS 93 Cb 0.86 -1.85 0.09 0.00 0.02 0.00 0.00 35.03 34.15 1s6i n LYS 93 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1s6i h ASP 94 N 0.00 0.00 -6.13 3.14 2.03 -1.84 -3.46 116.42 110.16 1s6i h ASP 94 Ca 0.14 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.31 1s6i h ASP 94 Cb 0.35 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1s6i h ASP 94 CO -0.78 0.09 -1.02 0.61 -1.03 0.00 0.00 179.24 177.11 1s6i n GLY 95 N 1.15 -0.74 0.00 7.15 0.00 0.20 -4.87 105.19 108.10 1s6i n GLY 95 Ca 0.02 0.59 0.10 0.00 0.00 0.00 0.00 46.02 46.73 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N 0.56 0.59 0.00 1.61 3.41 -1.26 -4.90 113.62 113.62 1s6i n SER 96 Ca -0.02 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1s6i n SER 96 Cb 0.48 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1s6i n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 97 N 1.40 0.85 3.36 5.00 0.00 -1.26 -5.09 105.19 109.44 1s6i n GLY 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.56 0.40 -0.27 1.61 -0.85 -1.26 -0.55 117.35 114.87 1s6i s TYR 98 Ca 0.00 -0.76 -0.01 0.00 -0.52 0.00 0.00 57.07 55.78 1s6i s TYR 98 Cb 0.00 -0.04 0.08 0.00 0.38 0.00 0.00 41.96 42.38 1s6i s TYR 98 CO 0.00 -0.74 0.06 0.42 -1.52 0.00 0.00 175.55 173.77 1s6i s ILE 99 N -3.97 0.88 0.45 -3.49 1.01 0.88 -4.68 121.20 112.27 1s6i s ILE 99 Ca 0.18 -1.15 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 1s6i s ILE 99 Cb 0.03 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1s6i s ILE 99 CO 0.01 -0.47 1.11 0.42 0.00 0.00 0.00 174.94 176.01 1s6i s THR 100 N 1.65 3.39 0.40 2.92 -4.23 -1.26 0.15 115.64 118.66 1s6i s THR 100 Ca 0.05 1.01 0.36 0.00 -1.18 0.00 0.00 61.69 61.92 1s6i s THR 100 Cb -0.17 -3.49 0.52 0.00 1.34 0.00 0.00 72.50 70.70 1s6i s THR 100 CO -0.18 -0.05 1.11 0.00 -0.54 0.00 0.00 174.62 174.96 1s6i n LEU 101 N -0.50 0.00 0.26 4.79 -0.00 -0.57 0.72 117.00 121.71 1s6i n LEU 101 Ca 0.07 0.70 -0.16 0.00 -0.00 0.00 0.00 56.01 56.63 1s6i n LEU 101 Cb 0.49 -0.35 -0.08 0.00 -0.00 0.00 0.00 43.42 43.49 1s6i n LEU 101 CO 0.45 -0.70 0.64 -0.78 -0.00 0.00 0.00 177.39 176.99 1s6i h ASP 102 N 0.00 -0.90 0.27 1.45 3.58 -1.88 0.20 116.42 119.14 1s6i h ASP 102 Ca 0.66 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 58.07 1s6i h ASP 102 Cb 2.69 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 44.02 1s6i h ASP 102 CO -0.01 -0.51 -0.45 -0.33 -2.88 0.00 0.00 179.24 175.07 1s6i h GLU 103 N -0.77 0.22 0.01 0.28 5.08 -0.02 -0.77 114.58 118.60 1s6i h GLU 103 Ca -0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1s6i h GLU 103 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1s6i h GLU 103 CO -0.01 0.63 -0.00 0.82 -1.00 0.00 0.00 179.01 179.45 1s6i h ILE 104 N 0.18 1.05 -0.01 3.13 1.08 -1.06 -0.59 117.51 121.28 1s6i h ILE 104 Ca 0.01 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1s6i h ILE 104 Cb 0.86 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1s6i h ILE 104 CO 0.07 0.04 -0.03 1.56 -0.69 0.00 0.00 178.15 179.10 1s6i h GLN 105 N -0.08 0.05 -0.86 2.37 4.20 -0.57 -3.27 115.11 116.95 1s6i h GLN 105 Ca -0.00 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.76 1s6i h GLN 105 Cb 0.08 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 1s6i h GLN 105 CO 0.00 0.63 0.51 1.96 -0.67 0.00 0.00 178.83 181.27 1s6i h GLN 106 N -0.53 0.86 0.00 1.46 4.20 -1.17 0.17 115.11 120.10 1s6i h GLN 106 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1s6i h GLN 106 Cb 0.63 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1s6i h GLN 106 CO 0.01 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 1s6i n ALA 107 N -2.37 1.49 -3.31 3.87 0.00 -0.23 -3.21 120.51 116.76 1s6i n ALA 107 Ca 0.14 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.28 1s6i n ALA 107 Cb 0.25 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 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 3.91 0.35 -0.01 0.00 -0.00 -1.72 -3.12 116.57 115.97 1s6i h LYS 109 Ca 0.18 -0.59 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1s6i h LYS 109 Cb 0.62 0.22 0.00 0.00 -0.00 0.00 0.00 32.23 33.07 1s6i h LYS 109 CO 0.84 1.28 -0.23 -0.40 -0.00 0.00 0.00 179.45 180.94 1s6i n ASP 110 N -3.58 0.90 -0.22 7.07 5.68 -1.26 -3.65 116.55 121.49 1s6i n ASP 110 Ca -0.11 -0.82 0.09 0.00 -0.50 0.00 0.00 54.79 53.45 1s6i n ASP 110 Cb 1.05 0.09 0.42 0.00 -1.14 0.00 0.00 41.12 41.54 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 -0.72 0.10 -2.05 2.11 3.01 -1.23 -4.86 117.46 113.81 1s6i n PHE 111 Ca 0.13 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1s6i n PHE 111 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.89 0.87 2.34 1.37 0.00 -1.24 -4.80 105.19 104.63 1s6i n GLY 112 Ca 0.13 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.33 0.37 -3.46 0.99 -0.00 -1.18 -4.68 117.00 108.71 1s6i n LEU 113 Ca 0.00 0.31 -0.14 0.00 -0.00 0.00 0.00 56.01 56.18 1s6i n LEU 113 Cb 0.43 -0.63 -0.04 0.00 -0.00 0.00 0.00 43.42 43.18 1s6i n LEU 113 CO 0.00 -0.52 0.44 -0.62 -0.00 0.00 0.00 177.39 176.69 1s6i s ASP 114 N 5.16 -0.59 0.00 1.96 -1.08 -1.26 -5.01 116.67 115.85 1s6i s ASP 114 Ca 0.89 0.28 0.06 0.00 -0.52 0.00 0.00 52.55 53.26 1s6i s ASP 114 Cb -0.96 0.56 0.29 0.00 -1.46 0.00 0.00 42.92 41.35 1s6i s ASP 114 CO 0.40 -0.81 1.12 -0.90 0.52 0.00 0.00 175.17 175.50 1s6i n ASP 115 N 0.13 0.00 -0.03 -0.34 5.75 -1.26 -2.48 116.55 118.33 1s6i n ASP 115 Ca -0.17 0.34 -0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1s6i n ASP 115 Cb 0.62 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1s6i h ILE 116 N 0.00 0.00 0.00 2.12 1.08 -1.95 -3.39 117.51 115.37 1s6i h ILE 116 Ca 0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1s6i h ILE 116 Cb 0.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1s6i h ILE 116 CO 0.00 0.00 -0.10 1.41 -0.69 0.00 0.00 178.15 178.77 1s6i n HIS 117 N -3.48 0.14 0.33 1.37 8.25 -1.21 -3.87 115.22 116.75 1s6i n HIS 117 Ca -0.00 0.06 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1s6i n HIS 117 Cb 0.01 -0.30 0.50 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.17 0.00 0.09 1.59 1.08 -1.77 0.35 117.51 118.68 1s6i h ILE 118 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1s6i h ILE 118 Cb 0.10 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1s6i h ILE 118 CO 0.00 0.00 -0.04 -0.78 -0.69 0.00 0.00 178.15 176.64 1s6i h ASP 119 N 0.00 -0.10 0.00 1.72 1.82 -1.67 -2.98 116.42 115.21 1s6i h ASP 119 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1s6i h ASP 119 Cb 1.18 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1s6i h ASP 119 CO 0.00 0.42 0.02 -0.78 -1.61 0.00 0.00 179.24 177.29 1s6i h ASP 120 N -1.02 0.00 -0.54 2.28 3.58 -1.18 0.15 116.42 119.69 1s6i h ASP 120 Ca -0.01 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1s6i h ASP 120 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1s6i h ASP 120 CO 0.02 0.00 0.15 -0.03 -2.88 0.00 0.00 179.24 176.50 1s6i h MET 121 N 0.00 0.85 -0.31 0.28 4.05 -0.33 1.61 114.93 121.09 1s6i h MET 121 Ca 0.00 -0.19 0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1s6i h MET 121 Cb 0.04 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.67 1s6i h MET 121 CO 0.00 0.79 -0.02 0.82 0.23 0.00 0.00 176.91 178.74 1s6i h ILE 122 N 0.76 0.76 0.00 1.77 2.04 -0.53 0.96 117.51 123.26 1s6i h ILE 122 Ca 0.17 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1s6i h ILE 122 Cb 0.31 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1s6i h ILE 122 CO -0.00 0.01 0.00 0.29 0.00 0.00 0.00 178.15 178.45 1s6i n LYS 123 N -5.19 0.17 0.09 2.37 4.76 -0.94 -0.40 118.16 119.03 1s6i n LYS 123 Ca 0.00 0.22 0.01 0.00 -2.87 0.00 0.00 58.31 55.67 1s6i n LYS 123 Cb 0.16 -1.73 -0.02 0.00 -1.84 0.00 0.00 35.03 31.60 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 4.57 0.80 -3.31 114.58 118.60 1s6i h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s6i h GLU 124 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1s6i h GLU 124 CO 0.00 0.43 -1.20 -0.89 -1.18 0.00 0.00 179.01 176.17 1s6i n ILE 125 N -3.09 0.00 -2.46 2.32 5.41 0.27 -4.82 119.36 116.99 1s6i n ILE 125 Ca -0.03 -0.26 -0.39 0.00 1.00 0.00 0.00 62.75 63.07 1s6i n ILE 125 Cb 0.78 0.53 -0.02 0.00 -0.71 0.00 0.00 39.64 40.22 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 -3.02 6.38 0.00 4.38 2.15 0.46 -4.72 116.67 122.29 1s6i s ASP 126 Ca -0.01 -2.01 0.26 0.00 0.43 0.00 0.00 52.55 51.22 1s6i s ASP 126 Cb 0.09 -2.58 0.64 0.00 -0.30 0.00 0.00 42.92 40.78 1s6i s ASP 126 CO 0.56 -1.64 1.51 0.00 -0.17 0.00 0.00 175.17 175.43 1s6i n GLN 127 N 8.51 0.10 -0.02 4.34 3.00 -1.26 -4.45 117.38 127.60 1s6i n GLN 127 Ca 0.44 -0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 57.35 1s6i n GLN 127 Cb 0.47 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.19 1s6i n GLN 127 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1s6i n ASP 128 N -1.40 3.80 0.00 1.08 2.03 -1.26 -4.59 116.55 116.21 1s6i n ASP 128 Ca 0.07 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1s6i n ASP 128 Cb 0.33 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -2.42 0.00 -0.29 1.67 2.04 -1.26 -5.01 115.26 109.99 1s6i n ASN 129 Ca -0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.06 1s6i n ASN 129 Cb 0.61 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 1s6i n ASN 129 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1s6i n ASP 130 N -0.26 0.16 -3.61 0.53 2.03 -1.26 -4.78 116.55 109.36 1s6i n ASP 130 Ca 0.00 -0.54 -0.26 0.00 0.52 0.00 0.00 54.79 54.51 1s6i n ASP 130 Cb 0.00 -0.08 0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s6i n GLY 131 N 0.11 -0.52 3.28 0.27 0.00 -1.26 -4.52 105.19 102.55 1s6i n GLY 131 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.31 1.27 -0.09 1.61 -2.07 -1.26 -1.51 119.66 111.30 1s6i s GLN 132 Ca 0.56 -1.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.45 1s6i s GLN 132 Cb -0.26 -0.27 0.02 0.00 -1.09 0.00 0.00 33.01 31.41 1s6i s GLN 132 CO 0.69 -0.22 -0.10 0.42 -1.32 0.00 0.00 175.29 174.76 1s6i s ILE 133 N -3.71 1.08 0.11 3.63 -1.09 0.12 -4.58 121.20 116.76 1s6i s ILE 133 Ca 0.31 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1s6i s ILE 133 Cb 0.07 -1.04 -0.04 0.00 -1.58 0.00 0.00 42.46 39.87 1s6i s ILE 133 CO 0.09 0.36 0.16 -0.62 -1.23 0.00 0.00 174.94 173.71 1s6i s ASP 134 N 1.16 5.88 0.34 3.58 2.15 -1.26 0.30 116.67 128.82 1s6i s ASP 134 Ca -0.05 0.07 0.12 0.00 0.43 0.00 0.00 52.55 53.11 1s6i s ASP 134 Cb -0.14 -1.67 1.07 0.00 -0.30 0.00 0.00 42.92 41.87 1s6i s ASP 134 CO -0.02 0.12 1.59 0.22 -0.17 0.00 0.00 175.17 176.91 1s6i h TYR 135 N 2.82 0.49 0.00 -5.34 3.20 -1.18 2.00 116.97 118.96 1s6i h TYR 135 Ca -0.47 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.26 1s6i h TYR 135 Cb 1.18 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 1s6i h TYR 135 CO 0.59 -0.42 -1.06 0.78 -1.64 0.00 0.00 178.16 176.41 1s6i h GLY 136 N 0.05 0.00 0.56 1.82 0.00 -1.83 -3.20 103.07 100.48 1s6i h GLY 136 Ca 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 48.03 1s6i h GLY 136 CO -0.80 0.00 -0.25 0.83 0.00 0.00 0.00 176.54 176.32 1s6i h GLU 137 N 0.00 -0.66 0.00 4.80 5.08 0.24 -2.32 114.58 121.71 1s6i h GLU 137 Ca -0.07 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1s6i h GLU 137 Cb 1.71 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1s6i h GLU 137 CO 0.10 -0.40 0.44 0.35 -1.00 0.00 0.00 179.01 178.50 1s6i h PHE 138 N -1.13 0.00 0.16 4.33 3.57 0.16 0.87 116.94 124.90 1s6i h PHE 138 Ca -0.07 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.12 1s6i h PHE 138 Cb 0.57 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.34 1s6i h PHE 138 CO 0.01 0.00 -1.30 0.00 -2.23 0.00 0.00 178.31 174.79 1s6i h ALA 139 N 1.04 -0.06 0.00 2.41 0.00 -1.45 -3.30 119.26 117.90 1s6i h ALA 139 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1s6i h ALA 139 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1s6i h ALA 139 CO 0.00 0.67 -0.65 0.00 0.00 0.00 0.00 179.25 179.27 1s6i n ALA 140 N -2.69 3.27 0.12 0.00 0.00 0.26 -3.96 120.51 117.51 1s6i n ALA 140 Ca -0.15 -0.32 0.18 0.00 0.00 0.00 0.00 53.44 53.15 1s6i n ALA 140 Cb 1.01 -1.11 0.75 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 0.00 3.00 -0.34 0.75 114.93 118.34 1s6i h MET 141 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.67 1s6i h MET 141 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.23 1s6i h MET 141 CO 0.00 0.00 -1.92 0.00 0.00 0.00 0.00 176.91 174.99 1s6i n MET 142 N -4.07 0.63 -3.15 -0.10 0.00 -1.26 -4.71 117.12 104.46 1s6i n MET 142 Ca 0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 57.70 57.38 1s6i n MET 142 Cb 0.45 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 32.15 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 -2.22 0.57 0.00 3.17 1.74 -0.15 -5.01 116.66 114.75 1s6i n ARG 143 Ca -0.06 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 1s6i n ARG 143 Cb 0.56 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1s6i n ARG 143 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1s6i n LYS 144 N 1.93 0.00 0.00 5.56 0.00 0.25 -4.45 118.16 121.45 1s6i n LYS 144 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1s6i n LYS 144 Cb 0.53 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 35.44 1s6i n LYS 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s6i n ARG 145 N -0.44 0.87 0.00 -1.58 1.74 -1.26 -4.04 116.66 111.94 1s6i n ARG 145 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s6i n ARG 145 Cb 0.00 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1s6i n ARG 145 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1s6i n LYS 146 N 0.23 0.00 0.40 5.56 4.81 -1.26 -3.69 118.16 124.21 1s6i n LYS 146 Ca 0.00 0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.27 1s6i n LYS 146 Cb 0.29 -0.64 -0.09 0.00 0.02 0.00 0.00 35.03 34.61 1s6i n LYS 146 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1s6i h GLY 147 N 0.00 -1.27 -7.32 3.14 0.00 -1.90 -3.41 103.07 92.31 1s6i h GLY 147 Ca 0.00 0.52 -0.53 0.00 0.00 0.00 0.00 47.33 47.31 1s6i h GLY 147 CO 0.00 -0.43 -0.77 0.21 0.00 0.00 0.00 176.54 175.55 1s6i s ASN 148 N -3.97 3.04 0.62 0.19 3.84 -1.26 -5.00 114.94 112.40 1s6i s ASN 148 Ca -0.17 -0.86 0.35 0.00 0.21 0.00 0.00 52.86 52.39 1s6i s ASN 148 Cb 0.03 -0.72 2.02 0.00 -0.55 0.00 0.00 41.25 42.03 1s6i s ASN 148 CO 0.55 -0.28 2.29 1.23 -2.79 0.00 0.00 177.10 178.10 1s6i h GLY 149 N 8.18 0.00 -0.22 1.21 0.00 -1.81 -2.87 103.07 107.56 1s6i h GLY 149 Ca -0.17 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.40 1s6i h GLY 149 CO 0.35 0.00 0.88 -1.33 0.00 0.00 0.00 176.54 176.44 1s6i h GLY 150 N 0.03 0.00 0.00 4.60 0.00 -1.94 -3.39 103.07 102.37 1s6i h GLY 150 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6i h GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.93 1s6i n ILE 151 N -3.55 0.00 0.00 2.60 5.41 -1.08 -5.12 119.36 117.62 1s6i n ILE 151 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1s6i n ILE 151 Cb 1.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.08 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 5.00 0.45 3.74 7.39 0.00 -1.26 -4.79 105.19 115.72 1s6i n GLY 152 Ca 0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 4.29 0.07 1.61 1.70 -1.26 -4.79 118.95 120.57 1s6i s ARG 153 Ca 0.00 0.45 0.05 0.00 -0.47 0.00 0.00 55.73 55.77 1s6i s ARG 153 Cb 0.00 -3.40 -0.03 0.00 -0.57 0.00 0.00 34.95 30.95 1s6i s ARG 153 CO 0.00 0.24 -0.14 0.50 -1.08 0.00 0.00 175.30 174.82 1s6i s ARG 154 N 0.36 0.81 0.49 3.89 3.52 -1.26 -4.10 118.95 122.66 1s6i s ARG 154 Ca 0.26 -0.96 0.13 0.00 -0.13 0.00 0.00 55.73 55.03 1s6i s ARG 154 Cb -0.15 -0.81 0.72 0.00 -1.56 0.00 0.00 34.95 33.14 1s6i s ARG 154 CO 0.11 0.18 1.33 0.00 -0.81 0.00 0.00 175.30 176.10 1s6i h THR 155 N 4.27 0.00 -0.97 4.11 1.03 -1.97 -3.28 112.91 116.11 1s6i h THR 155 Ca -0.41 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.98 1s6i h THR 155 Cb 1.19 0.29 -0.20 0.00 -1.07 0.00 0.00 68.15 68.37 1s6i h THR 155 CO 0.40 0.00 -0.41 -0.32 -0.01 0.00 0.00 175.52 175.18 1s6i s MET 156 N -3.62 0.70 -0.10 0.00 -2.45 -1.26 -4.85 119.30 107.72 1s6i s MET 156 Ca -0.01 0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.45 1s6i s MET 156 Cb 0.04 0.15 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 1s6i s MET 156 CO 0.12 -1.10 0.03 1.03 1.05 0.00 0.00 175.02 176.14 1s6i s ARG 157 N 2.24 3.11 0.87 4.11 1.81 -1.24 -5.05 118.95 124.80 1s6i s ARG 157 Ca 0.14 -0.36 -0.10 0.00 -1.72 0.00 0.00 55.73 53.69 1s6i s ARG 157 Cb -0.06 -2.88 0.19 0.00 -0.45 0.00 0.00 34.95 31.75 1s6i s ARG 157 CO -0.15 0.69 1.19 1.63 -0.68 0.00 0.00 175.30 177.99 1s6i n LYS 158 N 2.19 -0.83 -3.42 3.54 5.02 -1.26 -4.59 118.16 118.80 1s6i n LYS 158 Ca -0.19 -2.29 -0.29 0.00 -2.02 0.00 0.00 58.31 53.53 1s6i n LYS 158 Cb 0.54 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1s6i n LYS 158 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s6i s THR 159 N -3.56 5.05 0.03 -0.18 2.01 -1.26 -5.07 115.64 112.66 1s6i s THR 159 Ca 0.71 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1s6i s THR 159 Cb -0.03 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1s6i s THR 159 CO 0.49 -0.24 0.01 0.00 -0.69 0.00 0.00 174.62 174.19 1s6i n LEU 160 N -0.72 0.00 -4.80 4.42 -0.00 -1.26 -5.16 117.00 109.48 1s6i n LEU 160 Ca -0.02 -0.26 -0.30 0.00 -0.00 0.00 0.00 56.01 55.44 1s6i n LEU 160 Cb 0.53 0.09 0.10 0.00 -0.00 0.00 0.00 43.42 44.15 1s6i n LEU 160 CO 0.48 -0.04 0.71 0.21 -0.00 0.00 0.00 177.39 178.75 1s6i s ASN 161 N -1.20 4.21 0.65 1.45 2.47 -1.26 -5.07 114.94 116.19 1s6i s ASN 161 Ca 0.02 1.21 -0.02 0.00 0.42 0.00 0.00 52.86 54.49 1s6i s ASN 161 Cb 0.00 -1.89 0.07 0.00 -1.45 0.00 0.00 41.25 37.98 1s6i s ASN 161 CO 0.01 -2.13 0.91 -0.76 -3.72 0.00 0.00 177.10 171.41 1s6i s LEU 162 N -5.85 3.05 0.20 3.21 1.43 -1.26 -5.12 118.68 114.35 1s6i s LEU 162 Ca 0.62 0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 1s6i s LEU 162 Cb -0.14 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1s6i s LEU 162 CO 0.54 -1.50 -0.19 -0.60 0.23 0.00 0.00 176.35 174.83 1s6i s ARG 163 N -5.03 1.41 -0.38 1.70 3.52 -1.26 -5.12 118.95 113.78 1s6i s ARG 163 Ca 0.61 -1.54 -0.08 0.00 -0.13 0.00 0.00 55.73 54.59 1s6i s ARG 163 Cb -0.09 -1.45 0.06 0.00 -1.56 0.00 0.00 34.95 31.91 1s6i s ARG 163 CO 0.42 0.28 0.19 -0.51 -0.81 0.00 0.00 175.30 174.88 1s6i s ASP 164 N -2.99 5.53 0.88 -2.12 1.01 -1.26 -5.08 116.67 112.63 1s6i s ASP 164 Ca 0.21 -1.32 -0.13 0.00 0.71 0.00 0.00 52.55 52.02 1s6i s ASP 164 Cb -0.05 -1.95 0.06 0.00 1.01 0.00 0.00 42.92 42.00 1s6i s ASP 164 CO 0.09 -0.44 0.77 0.00 0.21 0.00 0.00 175.17 175.79 1s6i n ALA 165 N 4.88 -1.46 0.03 5.23 0.00 -1.26 -4.94 120.51 122.99 1s6i n ALA 165 Ca -0.11 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 52.89 1s6i n ALA 165 Cb 0.44 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 17.97 1s6i n ALA 165 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s6i n LEU 166 N -2.23 2.22 -4.34 0.00 -0.00 -1.26 -4.93 117.00 106.46 1s6i n LEU 166 Ca 0.10 -1.64 -0.40 0.00 -0.00 0.00 0.00 56.01 54.07 1s6i n LEU 166 Cb 0.52 -0.09 -0.11 0.00 -0.00 0.00 0.00 43.42 43.74 1s6i n LEU 166 CO 0.50 0.53 -0.16 -0.83 -0.00 0.00 0.00 177.39 177.42 1s6i s GLY 167 N -0.85 1.93 -0.16 1.47 0.00 -1.26 -5.07 107.32 103.37 1s6i s GLY 167 Ca 0.12 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 42.95 1s6i s GLY 167 CO 0.09 0.86 0.07 1.08 0.00 0.00 0.00 173.10 175.21 1s6i s LEU 168 N 1.50 3.89 0.67 0.66 2.01 -1.26 -5.09 118.68 121.06 1s6i s LEU 168 Ca 0.01 0.15 -0.16 0.00 0.01 0.00 0.00 54.13 54.15 1s6i s LEU 168 Cb -0.20 -1.97 0.01 0.00 0.01 0.00 0.00 46.19 44.04 1s6i s LEU 168 CO 0.05 0.23 1.15 0.68 1.01 0.00 0.00 176.35 179.47 1s6i s VAL 169 N 0.05 2.89 -0.28 -1.59 -7.23 -1.26 -5.05 120.40 107.93 1s6i s VAL 169 Ca 0.06 0.44 -0.20 0.00 -1.81 0.00 0.00 61.98 60.47 1s6i s VAL 169 Cb -0.12 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 33.91 1s6i s VAL 169 CO 0.01 -0.23 0.75 -0.62 -0.31 0.00 0.00 175.10 174.70 1s6i s ASP 170 N -2.27 -0.79 -0.00 4.85 -1.08 -1.26 -5.04 116.67 111.08 1s6i s ASP 170 Ca 0.70 1.38 0.10 0.00 -0.52 0.00 0.00 52.55 54.22 1s6i s ASP 170 Cb -0.24 1.36 -0.12 0.00 -1.46 0.00 0.00 42.92 42.47 1s6i s ASP 170 CO 0.41 -0.23 0.40 -0.46 0.52 0.00 0.00 175.17 175.81 1s6i n ASN 171 N 3.44 0.72 0.00 -0.34 2.04 -1.26 -5.09 115.26 114.78 1s6i n ASN 171 Ca -0.17 -0.65 0.00 0.00 -0.44 0.00 0.00 54.58 53.32 1s6i n ASN 171 Cb 0.57 1.05 0.00 0.00 -2.53 0.00 0.00 39.78 38.87 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1s6i n GLY 172 N 1.31 2.19 3.25 4.83 0.00 -1.26 -4.78 105.19 110.73 1s6i n GLY 172 Ca 0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1s6i n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6i s SER 173 N -4.00 2.11 -0.21 1.61 0.15 -1.26 -5.15 113.70 106.95 1s6i s SER 173 Ca 0.00 -0.77 -0.18 0.00 0.70 0.00 0.00 55.95 55.70 1s6i s SER 173 Cb 0.00 -0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 1s6i s SER 173 CO 0.00 -0.09 0.55 0.54 1.20 0.00 0.00 173.24 175.44 1s6i s ASN 174 N -2.29 -0.60 -0.13 5.45 4.22 -1.26 -5.13 114.94 115.20 1s6i s ASN 174 Ca 0.08 1.12 -0.29 0.00 -2.14 0.00 0.00 52.86 51.62 1s6i s ASN 174 Cb -0.07 1.11 -0.02 0.00 1.28 0.00 0.00 41.25 43.55 1s6i s ASN 174 CO 0.04 -0.19 1.22 -1.10 -2.04 0.00 0.00 177.10 175.02 1s6i s GLN 175 N 0.50 4.28 -0.25 3.55 -0.21 -1.26 -5.01 119.66 121.26 1s6i s GLN 175 Ca -0.02 1.63 -0.07 0.00 0.02 0.00 0.00 55.36 56.93 1s6i s GLN 175 Cb -0.04 -3.68 -0.02 0.00 1.00 0.00 0.00 33.01 30.27 1s6i s GLN 175 CO -0.02 -0.60 0.05 0.08 -2.12 0.00 0.00 175.29 172.67 1s6i s VAL 176 N 3.01 4.07 -0.18 1.09 1.01 -1.26 -5.08 120.40 123.06 1s6i s VAL 176 Ca 0.54 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1s6i s VAL 176 Cb -0.22 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1s6i s VAL 176 CO 0.16 0.33 0.53 -0.51 0.00 0.00 0.00 175.10 175.62 1s6i s ILE 177 N 1.57 5.11 -0.12 2.22 2.07 -1.26 -5.05 121.20 125.74 1s6i s ILE 177 Ca 0.06 1.00 -0.23 0.00 -1.41 0.00 0.00 60.65 60.07 1s6i s ILE 177 Cb -0.15 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.55 1s6i s ILE 177 CO 0.02 0.20 0.69 -0.70 -1.91 0.00 0.00 174.94 173.23 1s6i s GLU 178 N 1.47 4.36 0.13 3.50 2.12 -1.26 -5.00 118.70 124.01 1s6i s GLU 178 Ca 0.25 0.81 -0.24 0.00 0.36 0.00 0.00 54.97 56.15 1s6i s GLU 178 Cb -0.15 -3.49 0.07 0.00 0.26 0.00 0.00 34.13 30.81 1s6i s GLU 178 CO 0.10 -0.06 0.62 0.20 -0.54 0.00 0.00 175.26 175.59 1s6i s GLY 179 N 0.93 -0.61 0.61 -1.50 0.00 -1.26 -5.02 107.32 100.47 1s6i s GLY 179 Ca 0.35 0.61 0.34 0.00 0.00 0.00 0.00 44.72 46.02 1s6i s GLY 179 CO 0.15 0.26 2.29 0.10 0.00 0.00 0.00 173.10 175.89 1s6i h TYR 180 N 2.11 0.00 -3.58 1.90 -0.00 -2.09 -3.34 116.97 111.98 1s6i h TYR 180 Ca -0.33 0.00 -0.64 0.00 0.00 0.00 0.00 58.73 57.76 1s6i h TYR 180 Cb 1.29 0.00 -0.40 0.00 0.00 0.00 0.00 36.73 37.62 1s6i h TYR 180 CO 0.25 0.00 -0.74 -0.06 -0.00 0.00 0.00 178.16 177.61 1s6i s PHE 181 N -4.49 3.18 -2.00 0.10 0.40 -1.26 -5.30 117.98 108.60 1s6i s PHE 181 Ca -0.05 -2.59 0.01 0.00 -0.60 0.00 0.00 56.93 53.70 1s6i s PHE 181 Cb 0.14 -2.50 0.04 0.00 0.51 0.00 0.00 43.02 41.22 1s6i s PHE 181 CO 0.51 -0.92 0.54 1.63 0.70 0.00 0.00 175.22 177.68