#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oiy n MET 1 N 0.00 2.17 -0.32 1.43 2.81 -1.26 -4.74 117.12 117.21 1oiy n MET 1 Ca 0.00 -2.57 0.18 0.00 -1.81 0.00 0.00 57.70 53.49 1oiy n MET 1 Cb 0.00 -1.59 0.38 0.00 -0.71 0.00 0.00 33.22 31.30 1oiy n MET 1 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1oiy h GLU 2 N 0.85 0.39 -0.00 0.03 4.81 -2.07 -1.26 114.58 117.33 1oiy h GLU 2 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1oiy h GLU 2 Cb 1.13 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1oiy h GLU 2 CO 0.09 0.26 0.00 0.09 -0.73 0.00 0.00 179.01 178.72 1oiy n ASN 3 N -5.03 0.09 -4.51 1.04 3.02 -1.26 -4.80 115.26 103.81 1oiy n ASN 3 Ca 0.26 -1.11 -0.34 0.00 -0.03 0.00 0.00 54.58 53.37 1oiy n ASN 3 Cb 0.78 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.83 1oiy n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1oiy s PHE 4 N -2.00 2.94 -0.22 3.10 0.08 -0.48 -1.04 117.98 120.35 1oiy s PHE 4 Ca 0.44 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 1oiy s PHE 4 Cb 0.20 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1oiy s PHE 4 CO 0.34 0.11 -0.08 -1.14 -0.10 0.00 0.00 175.22 174.35 1oiy s GLN 5 N -0.23 3.06 0.36 0.44 2.00 -0.43 -4.95 119.66 119.92 1oiy s GLN 5 Ca 0.03 -0.82 -0.27 0.00 -2.00 0.00 0.00 55.36 52.30 1oiy s GLN 5 Cb -0.13 -2.91 -0.09 0.00 0.80 0.00 0.00 33.01 30.68 1oiy s GLN 5 CO 0.03 -0.29 1.27 0.15 -0.50 0.00 0.00 175.29 175.94 1oiy s LYS 6 N 1.37 4.19 -0.07 1.67 -0.14 -1.26 0.06 119.74 125.56 1oiy s LYS 6 Ca 0.03 2.10 -0.08 0.00 -1.36 0.00 0.00 55.97 56.66 1oiy s LYS 6 Cb -0.15 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1oiy s LYS 6 CO -0.06 -0.29 -0.16 0.28 -0.76 0.00 0.00 175.35 174.37 1oiy n VAL 7 N 0.47 0.89 -3.51 3.17 0.31 -0.51 -4.88 118.33 114.28 1oiy n VAL 7 Ca 0.02 0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 64.46 1oiy n VAL 7 Cb 0.43 -1.85 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1oiy n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1oiy s GLU 8 N -2.04 1.04 0.49 5.55 1.03 -1.26 -5.01 118.70 118.49 1oiy s GLU 8 Ca -0.13 0.14 -0.20 0.00 0.03 0.00 0.00 54.97 54.81 1oiy s GLU 8 Cb 0.02 0.49 -0.08 0.00 -0.80 0.00 0.00 34.13 33.75 1oiy s GLU 8 CO 0.20 -0.35 1.03 0.21 -1.33 0.00 0.00 175.26 175.02 1oiy s LYS 9 N -1.56 3.82 -0.10 -4.83 2.20 -1.26 -0.61 119.74 117.40 1oiy s LYS 9 Ca -0.08 1.31 -0.02 0.00 -0.36 0.00 0.00 55.97 56.82 1oiy s LYS 9 Cb -0.00 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1oiy s LYS 9 CO 0.06 -0.41 -0.10 -0.89 -0.36 0.00 0.00 175.35 173.65 1oiy n ILE 10 N -1.01 0.53 0.00 5.43 5.41 -0.05 -4.81 119.36 124.86 1oiy n ILE 10 Ca 0.09 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1oiy n ILE 10 Cb 0.53 -1.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1oiy n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oiy n GLY 11 N 2.73 -0.08 3.10 7.39 0.00 -1.08 -5.04 105.19 112.21 1oiy n GLY 11 Ca -0.18 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1oiy n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oiy s GLU 12 N -2.00 2.65 0.00 1.61 2.02 -1.26 -1.18 118.70 120.54 1oiy s GLU 12 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1oiy s GLU 12 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1oiy s GLU 12 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1oiy n GLY 13 N 4.31 1.18 0.11 -1.39 0.00 -1.26 -4.94 105.19 103.21 1oiy n GLY 13 Ca -0.19 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 1oiy n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oiy h THR 14 N 0.00 1.36 -3.98 2.61 1.35 -1.99 -3.45 112.91 108.81 1oiy h THR 14 Ca 0.00 -2.65 -0.10 0.00 -0.55 0.00 0.00 66.41 63.11 1oiy h THR 14 Cb 0.00 2.50 -0.14 0.00 -1.73 0.00 0.00 68.15 68.77 1oiy h THR 14 CO 0.00 0.72 -0.50 -0.72 -0.25 0.00 0.00 175.52 174.77 1oiy s TYR 15 N -3.05 0.30 0.06 4.73 1.13 -1.26 -5.11 117.35 114.15 1oiy s TYR 15 Ca 0.01 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 1oiy s TYR 15 Cb 0.10 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.76 1oiy s TYR 15 CO 0.77 -0.47 0.00 0.41 -2.51 0.00 0.00 175.55 173.75 1oiy n GLY 16 N 0.03 -2.10 3.29 5.49 0.00 -1.26 -4.93 105.19 105.71 1oiy n GLY 16 Ca -0.15 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1oiy n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oiy s VAL 17 N -0.98 1.84 -0.24 1.61 1.01 0.01 -4.17 120.40 119.49 1oiy s VAL 17 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 1oiy s VAL 17 Cb 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1oiy s VAL 17 CO 0.00 0.20 -0.07 -0.69 0.00 0.00 0.00 175.10 174.54 1oiy s VAL 18 N -0.88 2.88 0.28 2.92 1.01 -0.32 -0.19 120.40 126.11 1oiy s VAL 18 Ca 0.09 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1oiy s VAL 18 Cb -0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1oiy s VAL 18 CO 0.03 0.27 0.26 -0.31 0.00 0.00 0.00 175.10 175.34 1oiy s TYR 19 N 1.35 3.08 0.27 5.22 1.51 -0.21 -0.87 117.35 127.71 1oiy s TYR 19 Ca 0.02 -0.17 -0.21 0.00 -1.01 0.00 0.00 57.07 55.70 1oiy s TYR 19 Cb -0.16 -1.58 -0.09 0.00 -0.11 0.00 0.00 41.96 40.02 1oiy s TYR 19 CO -0.05 0.37 0.79 0.21 -1.11 0.00 0.00 175.55 175.77 1oiy s LYS 20 N -3.93 4.30 0.04 -0.62 2.20 0.22 -1.04 119.74 120.92 1oiy s LYS 20 Ca 0.36 0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 56.86 1oiy s LYS 20 Cb -0.07 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1oiy s LYS 20 CO 0.26 0.31 0.18 0.00 -0.36 0.00 0.00 175.35 175.74 1oiy s ALA 21 N -1.65 -0.33 -0.15 3.13 0.00 0.34 -1.42 121.76 121.69 1oiy s ALA 21 Ca 0.47 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1oiy s ALA 21 Cb -0.16 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1oiy s ALA 21 CO 0.21 -0.36 -0.18 -0.98 0.00 0.00 0.00 175.76 174.44 1oiy s ARG 22 N -2.59 3.12 -0.08 0.00 1.70 0.11 -0.40 118.95 120.82 1oiy s ARG 22 Ca -0.05 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 1oiy s ARG 22 Cb -0.01 -2.54 -0.06 0.00 -0.57 0.00 0.00 34.95 31.77 1oiy s ARG 22 CO -0.04 0.00 1.83 1.21 -1.08 0.00 0.00 175.30 177.22 1oiy s ASN 23 N 0.81 6.37 0.33 -2.89 3.84 0.27 -1.31 114.94 122.36 1oiy s ASN 23 Ca -0.06 2.22 0.06 0.00 0.21 0.00 0.00 52.86 55.29 1oiy s ASN 23 Cb -0.15 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.59 1oiy s ASN 23 CO -0.01 -1.17 1.80 0.11 -2.79 0.00 0.00 177.10 175.04 1oiy h LYS 24 N 10.87 0.34 0.02 0.43 1.57 -1.40 0.81 116.57 129.22 1oiy h LYS 24 Ca -0.42 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.11 1oiy h LYS 24 Cb 1.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1oiy h LYS 24 CO 0.96 0.55 -0.73 -0.07 -0.57 0.00 0.00 179.45 179.59 1oiy h LEU 25 N 0.31 0.07 0.00 2.94 3.38 -1.89 -3.38 115.31 116.73 1oiy h LEU 25 Ca 0.05 -0.78 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 1oiy h LEU 25 Cb 0.56 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1oiy h LEU 25 CO 0.04 1.30 -1.36 0.71 0.09 0.00 0.00 178.44 179.22 1oiy h THR 26 N -0.89 0.57 0.00 0.22 1.35 -1.93 -3.48 112.91 108.75 1oiy h THR 26 Ca -0.19 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1oiy h THR 26 Cb 1.25 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 1oiy h THR 26 CO -0.07 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1oiy n GLY 27 N 1.39 1.28 3.60 5.82 0.00 0.28 -5.01 105.19 112.56 1oiy n GLY 27 Ca -0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.45 1oiy n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1oiy n GLU 28 N -2.00 1.40 -3.74 1.61 2.13 -1.24 -4.60 120.64 114.21 1oiy n GLU 28 Ca 0.00 0.50 -0.35 0.00 0.66 0.00 0.00 57.16 57.97 1oiy n GLU 28 Cb 0.00 -2.03 -0.08 0.00 0.27 0.00 0.00 31.44 29.60 1oiy n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1oiy s VAL 29 N -0.19 5.41 0.28 6.31 1.01 -1.26 0.94 120.40 132.91 1oiy s VAL 29 Ca 0.71 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1oiy s VAL 29 Cb -0.79 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1oiy s VAL 29 CO 0.52 0.45 0.12 0.68 0.00 0.00 0.00 175.10 176.86 1oiy s VAL 30 N 0.31 0.50 -0.19 2.92 -7.23 0.46 -3.73 120.40 113.44 1oiy s VAL 30 Ca 0.08 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1oiy s VAL 30 Cb -0.11 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1oiy s VAL 30 CO -0.02 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.66 1oiy s ALA 31 N -3.69 2.60 -0.20 1.32 0.00 -0.56 -0.50 121.76 120.73 1oiy s ALA 31 Ca 0.37 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 1oiy s ALA 31 Cb 0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1oiy s ALA 31 CO 0.15 -0.30 0.12 -0.51 0.00 0.00 0.00 175.76 175.22 1oiy s LEU 32 N 1.25 4.11 -0.37 0.00 1.43 -0.20 -1.66 118.68 123.24 1oiy s LEU 32 Ca 0.03 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 1oiy s LEU 32 Cb -0.14 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1oiy s LEU 32 CO -0.05 0.16 0.25 -0.75 0.23 0.00 0.00 176.35 176.19 1oiy s LYS 33 N 0.47 3.18 -0.03 1.70 2.20 -0.52 -1.04 119.74 125.71 1oiy s LYS 33 Ca 0.07 -0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 1oiy s LYS 33 Cb -0.12 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 1oiy s LYS 33 CO -0.01 -0.60 0.37 0.21 -0.36 0.00 0.00 175.35 174.97 1oiy s LYS 34 N 1.67 3.89 -0.04 4.03 2.36 0.74 -0.94 119.74 131.46 1oiy s LYS 34 Ca 0.05 0.34 -0.01 0.00 -2.55 0.00 0.00 55.97 53.79 1oiy s LYS 34 Cb -0.18 -3.24 0.03 0.00 -1.05 0.00 0.00 37.83 33.39 1oiy s LYS 34 CO 0.09 0.66 0.06 0.42 1.55 0.00 0.00 175.35 178.14 1oiy s ILE 35 N -0.93 -0.10 0.15 5.43 1.01 -0.64 -0.81 121.20 125.31 1oiy s ILE 35 Ca 0.22 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1oiy s ILE 35 Cb -0.16 -0.14 -0.08 0.00 0.01 0.00 0.00 42.46 42.09 1oiy s ILE 35 CO 0.12 0.14 1.24 -0.13 0.00 0.00 0.00 174.94 176.30 1oiy s ARG 36 N 1.73 4.44 -0.24 2.79 3.00 -1.26 -1.31 118.95 128.11 1oiy s ARG 36 Ca -0.01 1.90 -0.10 0.00 0.00 0.00 0.00 55.73 57.52 1oiy s ARG 36 Cb -0.12 -3.26 -0.05 0.00 0.00 0.00 0.00 34.95 31.52 1oiy s ARG 36 CO -0.03 -0.19 0.14 -0.51 0.00 0.00 0.00 175.30 174.71 1oiy s LEU 37 N 0.20 4.02 -1.42 2.53 1.43 0.17 -4.85 118.68 120.76 1oiy s LEU 37 Ca 0.56 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.64 1oiy s LEU 37 Cb -0.33 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 43.88 1oiy s LEU 37 CO 0.35 0.07 2.33 0.47 0.23 0.00 0.00 176.35 179.79 1oiy n ASP 38 N 4.27 6.18 0.01 2.29 8.00 -1.20 -4.77 116.55 131.33 1oiy n ASP 38 Ca -0.15 -2.92 0.02 0.00 0.71 0.00 0.00 54.79 52.45 1oiy n ASP 38 Cb 0.52 -1.52 0.08 0.00 -0.02 0.00 0.00 41.12 40.18 1oiy n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1oiy n THR 39 N 3.56 1.76 0.30 -3.53 -1.04 -1.26 -1.11 114.28 112.95 1oiy n THR 39 Ca 0.57 0.45 0.03 0.00 -2.04 0.00 0.00 64.05 63.06 1oiy n THR 39 Cb 0.32 -1.40 -0.04 0.00 -1.82 0.00 0.00 70.33 67.39 1oiy n THR 39 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oiy n GLU 40 N -1.53 4.49 0.00 -2.82 4.71 -1.26 -4.96 120.64 119.28 1oiy n GLU 40 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1oiy n GLU 40 Cb 0.04 -0.84 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 1oiy n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1oiy n THR 41 N -1.20 0.00 0.51 2.62 -2.24 -0.27 -4.97 114.28 108.74 1oiy n THR 41 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1oiy n THR 41 Cb 0.11 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1oiy n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oiy n GLU 42 N -0.31 0.33 0.00 -0.78 -0.58 -1.23 -5.08 120.64 113.00 1oiy n GLU 42 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1oiy n GLU 42 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1oiy n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oiy n GLY 43 N 1.35 0.27 3.69 0.62 0.00 -0.49 -4.82 105.19 105.81 1oiy n GLY 43 Ca 0.01 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1oiy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oiy s VAL 44 N 0.00 3.91 0.57 1.61 1.01 -1.26 -3.23 120.40 123.01 1oiy s VAL 44 Ca 0.00 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 1oiy s VAL 44 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1oiy s VAL 44 CO 0.00 0.00 1.14 -2.16 0.00 0.00 0.00 175.10 174.08 1oiy s PRO 45 N 2.28 3.19 0.56 2.72 0.04 -1.26 -4.89 135.00 137.64 1oiy s PRO 45 Ca 0.61 1.60 0.26 0.00 0.04 0.00 0.00 61.00 63.51 1oiy s PRO 45 Cb -0.29 -1.98 1.51 0.00 0.04 0.00 0.00 34.50 33.78 1oiy s PRO 45 CO 0.25 -0.98 2.06 0.66 0.04 0.00 0.00 177.00 179.03 1oiy h SER 46 N 0.93 0.00 0.71 6.66 4.64 -1.96 -2.47 113.55 122.05 1oiy h SER 46 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 1oiy h SER 46 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1oiy h SER 46 CO 0.56 0.00 -0.73 0.71 -0.87 0.00 0.00 176.83 176.50 1oiy h THR 47 N 0.00 1.52 0.03 2.95 1.35 -1.90 0.30 112.91 117.15 1oiy h THR 47 Ca 0.14 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 63.46 1oiy h THR 47 Cb 0.63 2.34 0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1oiy h THR 47 CO -0.00 0.71 -0.19 0.00 -0.25 0.00 0.00 175.52 175.79 1oiy h ALA 48 N 1.25 -0.02 -0.54 6.62 0.00 -1.86 0.44 119.26 125.16 1oiy h ALA 48 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.46 1oiy h ALA 48 Cb 1.29 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1oiy h ALA 48 CO 0.10 0.08 -0.39 0.82 0.00 0.00 0.00 179.25 179.86 1oiy h ILE 49 N -0.80 0.13 0.04 0.00 2.04 -1.36 1.43 117.51 118.98 1oiy h ILE 49 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1oiy h ILE 49 Cb 1.12 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1oiy h ILE 49 CO 0.04 0.00 -0.02 0.03 0.00 0.00 0.00 178.15 178.20 1oiy h ARG 50 N -0.22 -0.05 -0.79 2.37 3.08 -0.50 -2.49 114.38 115.79 1oiy h ARG 50 Ca 0.19 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.28 1oiy h ARG 50 Cb 0.56 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1oiy h ARG 50 CO -0.66 0.03 0.50 1.49 -1.07 0.00 0.00 179.97 180.27 1oiy h GLU 51 N -0.12 0.93 0.12 0.04 4.81 0.65 -2.66 114.58 118.35 1oiy h GLU 51 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1oiy h GLU 51 Cb 0.11 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1oiy h GLU 51 CO 0.01 0.62 -0.06 0.82 -0.73 0.00 0.00 179.01 179.67 1oiy h ILE 52 N 0.96 1.07 -0.34 2.32 2.04 0.19 -1.39 117.51 122.36 1oiy h ILE 52 Ca 0.32 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1oiy h ILE 52 Cb 0.04 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1oiy h ILE 52 CO -0.12 0.24 0.03 0.77 0.00 0.00 0.00 178.15 179.08 1oiy h SER 53 N -0.69 -0.06 -0.07 1.72 4.64 -1.47 -2.27 113.55 115.35 1oiy h SER 53 Ca -0.02 0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 1oiy h SER 53 Cb 0.52 0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1oiy h SER 53 CO 0.03 0.00 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.16 1oiy h LEU 54 N 0.14 0.85 -1.02 5.97 3.38 -1.56 -3.04 115.31 120.04 1oiy h LEU 54 Ca 0.16 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1oiy h LEU 54 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1oiy h LEU 54 CO -0.24 1.34 0.00 0.25 0.09 0.00 0.00 178.44 179.88 1oiy h LEU 55 N 0.49 0.00 0.00 1.67 5.85 -1.15 -2.39 115.31 119.78 1oiy h LEU 55 Ca -0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1oiy h LEU 55 Cb 1.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1oiy h LEU 55 CO 0.15 0.00 -0.86 0.11 -0.34 0.00 0.00 178.44 177.50 1oiy h LYS 56 N 0.00 0.00 0.00 1.25 1.57 -1.29 -3.22 116.57 114.88 1oiy h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oiy h LYS 56 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1oiy h LYS 56 CO 0.00 0.70 -0.14 0.93 -0.57 0.00 0.00 179.45 180.37 1oiy h GLU 57 N 0.00 0.00 -4.29 3.15 5.08 -1.40 -3.43 114.58 113.69 1oiy h GLU 57 Ca -0.04 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.59 1oiy h GLU 57 Cb 1.60 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.57 1oiy h GLU 57 CO 0.09 0.00 -0.37 -0.51 -1.00 0.00 0.00 179.01 177.22 1oiy s LEU 58 N -5.49 5.69 -0.45 1.33 1.43 -0.97 -4.98 118.68 115.24 1oiy s LEU 58 Ca 0.07 -1.80 0.04 0.00 -1.03 0.00 0.00 54.13 51.41 1oiy s LEU 58 Cb 0.08 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.37 1oiy s LEU 58 CO 0.66 -0.69 0.18 0.21 0.23 0.00 0.00 176.35 176.94 1oiy s ASN 59 N 2.73 4.46 0.05 2.29 3.84 -1.26 -4.90 114.94 122.15 1oiy s ASN 59 Ca 0.05 -2.70 0.05 0.00 0.21 0.00 0.00 52.86 50.47 1oiy s ASN 59 Cb -0.26 -1.62 -0.02 0.00 -0.55 0.00 0.00 41.25 38.79 1oiy s ASN 59 CO 0.01 -0.28 -0.15 -2.28 -2.79 0.00 0.00 177.10 171.60 1oiy s HIS 60 N 0.14 1.30 0.36 0.43 2.46 -1.26 -5.02 115.29 113.70 1oiy s HIS 60 Ca 0.15 -0.37 0.34 0.00 0.47 0.00 0.00 55.06 55.65 1oiy s HIS 60 Cb -0.23 -0.77 1.87 0.00 -0.13 0.00 0.00 32.58 33.32 1oiy s HIS 60 CO -0.03 0.05 2.05 -1.00 -2.47 0.00 0.00 174.74 173.34 1oiy h PRO 61 N 4.82 0.00 -0.29 2.88 0.13 -1.99 -2.61 132.00 134.93 1oiy h PRO 61 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1oiy h PRO 61 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oiy h PRO 61 CO 0.43 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.29 1oiy n ASN 62 N -2.75 3.34 -4.24 1.44 5.03 -1.26 -4.86 115.26 111.96 1oiy n ASN 62 Ca -0.02 -2.49 -0.33 0.00 0.87 0.00 0.00 54.58 52.61 1oiy n ASN 62 Cb 0.11 -0.37 -0.15 0.00 -1.02 0.00 0.00 39.78 38.34 1oiy n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1oiy s ILE 63 N -1.87 2.55 0.25 2.41 1.01 -0.98 -0.26 121.20 124.30 1oiy s ILE 63 Ca 0.31 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1oiy s ILE 63 Cb 0.22 -2.08 -0.15 0.00 0.01 0.00 0.00 42.46 40.46 1oiy s ILE 63 CO 0.12 0.52 0.86 0.55 0.00 0.00 0.00 174.94 176.98 1oiy n VAL 64 N 4.18 1.88 -3.15 2.92 3.14 -0.65 -4.44 118.33 122.22 1oiy n VAL 64 Ca -0.19 -0.47 -0.40 0.00 -2.96 0.00 0.00 64.34 60.31 1oiy n VAL 64 Cb 0.51 -0.63 -0.07 0.00 -1.06 0.00 0.00 33.84 32.60 1oiy n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1oiy s LYS 65 N -1.25 4.07 -0.44 1.45 2.20 -1.26 -4.97 119.74 119.53 1oiy s LYS 65 Ca 0.62 0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 56.41 1oiy s LYS 65 Cb -0.80 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 31.88 1oiy s LYS 65 CO 0.58 -0.41 0.99 -1.17 -0.36 0.00 0.00 175.35 174.98 1oiy s LEU 66 N 2.45 3.90 -0.00 5.43 2.96 -1.26 -1.80 118.68 130.36 1oiy s LEU 66 Ca 0.24 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1oiy s LEU 66 Cb -0.15 -3.32 -0.25 0.00 0.50 0.00 0.00 46.19 42.96 1oiy s LEU 66 CO 0.09 -1.05 0.82 -0.07 -1.32 0.00 0.00 176.35 174.82 1oiy h LEU 67 N 10.61 0.23 -7.01 -0.68 3.38 0.93 -3.49 115.31 119.29 1oiy h LEU 67 Ca -0.23 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.55 1oiy h LEU 67 Cb 1.07 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 1oiy h LEU 67 CO 1.04 1.30 0.62 -0.62 0.09 0.00 0.00 178.44 180.88 1oiy s ASP 68 N -6.70 -0.27 -0.10 -0.43 2.15 -1.02 -4.97 116.67 105.33 1oiy s ASP 68 Ca -0.08 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 52.88 1oiy s ASP 68 Cb 0.08 0.29 0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1oiy s ASP 68 CO 0.83 -0.46 0.02 -0.69 -0.17 0.00 0.00 175.17 174.70 1oiy s VAL 69 N -2.83 0.33 -0.21 1.11 1.01 -1.26 -0.55 120.40 118.00 1oiy s VAL 69 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1oiy s VAL 69 Cb -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1oiy s VAL 69 CO -0.07 0.14 0.02 -0.63 0.00 0.00 0.00 175.10 174.55 1oiy s ILE 70 N 1.98 4.08 -0.71 2.22 1.01 -0.42 -4.98 121.20 124.38 1oiy s ILE 70 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1oiy s ILE 70 Cb -0.13 -2.86 0.18 0.00 0.01 0.00 0.00 42.46 39.66 1oiy s ILE 70 CO -0.06 0.41 0.58 -2.28 0.00 0.00 0.00 174.94 173.59 1oiy s HIS 71 N 1.14 3.56 0.41 3.97 2.46 -1.26 -1.67 115.29 123.89 1oiy s HIS 71 Ca 0.03 -2.36 -0.03 0.00 0.47 0.00 0.00 55.06 53.17 1oiy s HIS 71 Cb -0.14 -3.48 -0.04 0.00 -0.13 0.00 0.00 32.58 28.79 1oiy s HIS 71 CO 0.02 -0.91 0.67 0.95 -2.47 0.00 0.00 174.74 173.00 1oiy s THR 72 N 0.10 4.99 0.30 0.89 -4.23 -0.93 -4.99 115.64 111.77 1oiy s THR 72 Ca 0.17 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1oiy s THR 72 Cb -0.16 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.12 1oiy s THR 72 CO -0.06 -0.67 1.71 -0.08 -0.54 0.00 0.00 174.62 174.98 1oiy h GLU 73 N 0.63 0.44 0.00 3.99 4.81 -2.02 -3.33 114.58 119.09 1oiy h GLU 73 Ca -0.48 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.53 1oiy h GLU 73 Cb 1.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1oiy h GLU 73 CO 0.62 0.29 -1.75 0.09 -0.73 0.00 0.00 179.01 177.53 1oiy n ASN 74 N -5.00 2.62 -4.72 1.04 5.03 -1.26 -4.88 115.26 108.10 1oiy n ASN 74 Ca 0.23 -0.03 -0.24 0.00 0.87 0.00 0.00 54.58 55.41 1oiy n ASN 74 Cb 0.66 0.34 -0.07 0.00 -1.02 0.00 0.00 39.78 39.70 1oiy n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1oiy s LYS 75 N -2.26 2.29 -0.03 3.52 3.01 -1.25 0.45 119.74 125.47 1oiy s LYS 75 Ca -0.11 -1.64 0.01 0.00 -1.01 0.00 0.00 55.97 53.22 1oiy s LYS 75 Cb 0.04 -2.10 0.02 0.00 -1.01 0.00 0.00 37.83 34.78 1oiy s LYS 75 CO 0.38 0.07 -0.01 -1.17 0.51 0.00 0.00 175.35 175.13 1oiy s LEU 76 N -3.83 1.25 -0.12 3.17 2.96 -0.42 -2.18 118.68 119.50 1oiy s LEU 76 Ca 0.38 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1oiy s LEU 76 Cb -0.01 -0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.39 1oiy s LEU 76 CO 0.22 -0.08 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.66 1oiy s TYR 77 N 0.94 2.67 -0.29 5.38 2.02 -0.67 -1.62 117.35 125.77 1oiy s TYR 77 Ca -0.10 -1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 55.39 1oiy s TYR 77 Cb -0.14 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 1oiy s TYR 77 CO -0.01 -0.44 0.37 -0.51 -1.57 0.00 0.00 175.55 173.39 1oiy s LEU 78 N 0.54 4.16 -0.20 -1.29 1.43 -0.12 -1.30 118.68 121.91 1oiy s LEU 78 Ca -0.12 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1oiy s LEU 78 Cb -0.17 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1oiy s LEU 78 CO 0.04 -0.24 0.44 -0.69 0.23 0.00 0.00 176.35 176.13 1oiy s VAL 79 N 2.07 5.17 0.07 -1.59 1.01 0.29 -1.44 120.40 125.98 1oiy s VAL 79 Ca 0.14 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1oiy s VAL 79 Cb -0.16 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1oiy s VAL 79 CO 0.11 0.23 -0.16 -0.36 0.00 0.00 0.00 175.10 174.91 1oiy s PHE 80 N 1.41 1.41 0.46 5.22 0.40 -0.66 0.14 117.98 126.37 1oiy s PHE 80 Ca 0.21 -0.42 -0.25 0.00 -0.60 0.00 0.00 56.93 55.87 1oiy s PHE 80 Cb -0.15 -0.80 -0.08 0.00 0.51 0.00 0.00 43.02 42.50 1oiy s PHE 80 CO 0.09 0.10 1.35 -0.85 0.70 0.00 0.00 175.22 176.61 1oiy n GLU 81 N 1.37 2.03 -3.06 0.44 0.28 -0.74 -1.49 120.64 119.46 1oiy n GLU 81 Ca -0.20 0.72 -0.39 0.00 -0.16 0.00 0.00 57.16 57.13 1oiy n GLU 81 Cb 0.54 -2.52 -0.05 0.00 1.43 0.00 0.00 31.44 30.83 1oiy n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1oiy s PHE 82 N -1.22 3.76 0.18 -1.84 5.36 -1.24 -4.30 117.98 118.68 1oiy s PHE 82 Ca 0.63 1.42 0.11 0.00 -0.96 0.00 0.00 56.93 58.13 1oiy s PHE 82 Cb -0.46 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.44 1oiy s PHE 82 CO 0.56 0.36 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.96 1oiy s LEU 83 N -0.37 2.54 0.26 6.12 1.02 -1.26 -5.00 118.68 122.00 1oiy s LEU 83 Ca 0.35 -0.77 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 1oiy s LEU 83 Cb -0.20 -1.30 0.52 0.00 0.02 0.00 0.00 46.19 45.23 1oiy s LEU 83 CO 0.22 0.13 1.77 -0.74 0.02 0.00 0.00 176.35 177.75 1oiy h HIS 84 N 3.28 0.81 -1.71 0.29 -0.00 -1.70 -3.47 115.15 112.64 1oiy h HIS 84 Ca -0.47 0.03 0.33 0.00 -0.00 0.00 0.00 60.37 60.26 1oiy h HIS 84 Cb 1.20 -0.23 -0.10 0.00 -0.00 0.00 0.00 27.41 28.28 1oiy h HIS 84 CO 0.66 0.22 0.85 1.14 -0.00 0.00 0.00 177.93 180.81 1oiy s GLN 85 N -5.97 0.41 0.55 5.26 -2.07 -1.09 -5.02 119.66 111.72 1oiy s GLN 85 Ca -0.12 -0.24 0.05 0.00 -1.82 0.00 0.00 55.36 53.23 1oiy s GLN 85 Cb 0.22 0.13 0.06 0.00 -1.09 0.00 0.00 33.01 32.32 1oiy s GLN 85 CO 0.78 -0.19 0.75 0.16 -1.32 0.00 0.00 175.29 175.48 1oiy s ASP 86 N -3.29 5.19 0.01 12.60 1.47 -1.26 -0.81 116.67 130.57 1oiy s ASP 86 Ca 0.20 -0.40 -0.22 0.00 1.18 0.00 0.00 52.55 53.31 1oiy s ASP 86 Cb 0.03 -0.38 -0.18 0.00 -0.34 0.00 0.00 42.92 42.05 1oiy s ASP 86 CO -0.03 -1.20 1.25 0.25 0.68 0.00 0.00 175.17 176.13 1oiy h LEU 87 N 0.17 0.32 -0.74 2.11 5.85 0.21 -2.46 115.31 120.77 1oiy h LEU 87 Ca -0.38 -0.57 0.17 0.00 0.84 0.00 0.00 57.88 57.95 1oiy h LEU 87 Cb 1.28 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 1oiy h LEU 87 CO 0.45 0.83 0.03 0.50 -0.34 0.00 0.00 178.44 179.91 1oiy h LYS 88 N -0.18 0.12 0.00 1.25 3.64 -1.27 0.52 116.57 120.66 1oiy h LYS 88 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1oiy h LYS 88 Cb 0.77 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1oiy h LYS 88 CO 0.04 0.08 0.00 1.17 -2.27 0.00 0.00 179.45 178.47 1oiy n LYS 89 N -5.31 0.23 -0.01 1.90 0.00 -1.19 -2.03 118.16 111.75 1oiy n LYS 89 Ca 0.13 0.36 -0.19 0.00 0.00 0.00 0.00 58.31 58.62 1oiy n LYS 89 Cb 0.46 -1.87 -0.14 0.00 0.00 0.00 0.00 35.03 33.49 1oiy n LYS 89 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1oiy h PHE 90 N 0.00 0.30 -0.99 5.64 3.57 0.30 -3.18 116.94 122.58 1oiy h PHE 90 Ca 0.00 -0.22 0.17 0.00 3.53 0.00 0.00 57.97 61.46 1oiy h PHE 90 Cb 0.51 -0.01 -0.17 0.00 2.79 0.00 0.00 35.95 39.06 1oiy h PHE 90 CO 0.00 1.30 -0.32 -1.33 -2.23 0.00 0.00 178.31 175.73 1oiy n MET 91 N -4.26 -0.16 0.05 1.11 2.81 0.11 -1.88 117.12 114.90 1oiy n MET 91 Ca -0.17 1.53 -0.02 0.00 -1.81 0.00 0.00 57.70 57.22 1oiy n MET 91 Cb 0.72 -2.27 -0.01 0.00 -0.71 0.00 0.00 33.22 30.95 1oiy n MET 91 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1oiy h ASP 92 N 0.00 -0.10 -0.37 7.83 3.32 -1.55 -2.34 116.42 123.20 1oiy h ASP 92 Ca 0.41 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.57 1oiy h ASP 92 Cb 0.65 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1oiy h ASP 92 CO -1.00 -0.07 1.07 0.00 -1.72 0.00 0.00 179.24 177.52 1oiy h ALA 93 N -1.93 2.34 0.00 3.45 0.00 -1.51 0.44 119.26 122.05 1oiy h ALA 93 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 1oiy h ALA 93 Cb 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1oiy h ALA 93 CO 0.02 -1.26 -2.03 0.43 0.00 0.00 0.00 179.25 176.42 1oiy n SER 94 N -2.78 0.37 -0.32 0.00 7.64 -0.79 -4.72 113.62 113.02 1oiy n SER 94 Ca 0.08 0.17 0.22 0.00 1.01 0.00 0.00 58.87 60.36 1oiy n SER 94 Cb 1.18 0.66 0.44 0.00 -1.01 0.00 0.00 64.21 65.47 1oiy n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oiy h ALA 95 N 1.14 1.75 -3.00 -0.43 0.00 0.45 1.02 119.26 120.19 1oiy h ALA 95 Ca -0.38 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oiy h ALA 95 Cb 1.99 0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1oiy h ALA 95 CO 0.04 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 179.93 1oiy n LEU 96 N -5.20 0.00 0.02 0.00 4.77 -1.26 -3.78 117.00 111.54 1oiy n LEU 96 Ca 0.30 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1oiy n LEU 96 Cb 0.96 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.66 1oiy n LEU 96 CO 0.04 0.00 1.16 0.74 -1.33 0.00 0.00 177.39 178.01 1oiy h THR 97 N 0.00 0.85 0.00 -5.08 2.02 -1.61 -3.49 112.91 105.61 1oiy h THR 97 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1oiy h THR 97 Cb 0.00 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1oiy h THR 97 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1oiy n GLY 98 N -1.57 -1.79 3.59 2.16 0.00 0.34 -4.91 105.19 103.02 1oiy n GLY 98 Ca 0.07 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1oiy n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oiy s ILE 99 N -2.46 5.00 0.25 -0.61 1.01 -1.26 -4.89 121.20 118.24 1oiy s ILE 99 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 1oiy s ILE 99 Cb 0.00 -3.93 -0.16 0.00 0.01 0.00 0.00 42.46 38.38 1oiy s ILE 99 CO 0.00 -0.08 0.65 -2.65 0.00 0.00 0.00 174.94 172.85 1oiy n PRO 100 N 5.73 0.45 -0.28 2.79 -0.02 -1.26 -4.74 135.00 137.66 1oiy n PRO 100 Ca -0.03 0.16 0.03 0.00 -2.02 0.00 0.00 63.50 61.64 1oiy n PRO 100 Cb 0.49 -1.29 0.16 0.00 -0.02 0.00 0.00 33.50 32.85 1oiy n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1oiy h LEU 101 N 1.25 0.63 -0.13 2.45 7.12 -1.98 -0.40 115.31 124.25 1oiy h LEU 101 Ca -0.33 0.05 0.04 0.00 0.13 0.00 0.00 57.88 57.78 1oiy h LEU 101 Cb 1.41 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 41.42 1oiy h LEU 101 CO 0.57 0.36 -0.15 -0.65 -0.13 0.00 0.00 178.44 178.44 1oiy h PRO 102 N 0.75 -0.18 -0.61 5.25 0.11 -1.98 0.12 132.00 135.46 1oiy h PRO 102 Ca 0.39 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.55 1oiy h PRO 102 Cb 0.38 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 1oiy h PRO 102 CO -0.25 -0.12 0.36 1.25 -0.21 0.00 0.00 178.00 179.02 1oiy h LEU 103 N -0.19 0.57 0.51 2.35 5.85 -1.82 0.16 115.31 122.74 1oiy h LEU 103 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1oiy h LEU 103 Cb 0.33 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1oiy h LEU 103 CO -0.24 0.39 -0.24 0.40 -0.34 0.00 0.00 178.44 178.40 1oiy h ILE 104 N 0.70 0.47 -0.06 4.05 2.04 -0.71 1.00 117.51 124.99 1oiy h ILE 104 Ca 0.26 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1oiy h ILE 104 Cb 0.08 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1oiy h ILE 104 CO -0.13 0.04 -0.43 0.50 0.00 0.00 0.00 178.15 178.13 1oiy h LYS 105 N -0.83 -0.48 -0.30 2.37 3.64 -0.71 -0.07 116.57 120.20 1oiy h LYS 105 Ca -0.07 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1oiy h LYS 105 Cb 0.58 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1oiy h LYS 105 CO 0.11 -0.32 -0.18 0.45 -2.27 0.00 0.00 179.45 177.25 1oiy n SER 106 N -4.85 -0.32 -0.35 4.20 2.88 0.55 -0.66 113.62 115.07 1oiy n SER 106 Ca -0.05 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 1oiy n SER 106 Cb 0.31 -0.39 0.32 0.00 -0.75 0.00 0.00 64.21 63.69 1oiy n SER 106 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1oiy h TYR 107 N 0.00 1.07 -0.35 0.66 0.05 -0.33 0.25 116.97 118.32 1oiy h TYR 107 Ca 0.05 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.70 1oiy h TYR 107 Cb 0.12 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1oiy h TYR 107 CO -0.92 0.25 -0.41 1.25 -1.05 0.00 0.00 178.16 177.27 1oiy h LEU 108 N 0.77 0.95 0.62 3.88 5.85 -0.15 -0.21 115.31 127.02 1oiy h LEU 108 Ca 0.57 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1oiy h LEU 108 Cb 0.88 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1oiy h LEU 108 CO -0.37 1.23 -0.37 0.15 -0.34 0.00 0.00 178.44 178.75 1oiy h PHE 109 N 0.72 -0.96 -0.71 1.25 3.57 0.15 0.49 116.94 121.45 1oiy h PHE 109 Ca 0.05 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1oiy h PHE 109 Cb 1.00 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1oiy h PHE 109 CO 0.06 -0.56 0.47 1.96 -2.23 0.00 0.00 178.31 178.01 1oiy h GLN 110 N -0.92 0.87 -0.15 1.11 4.20 -0.59 -0.11 115.11 119.51 1oiy h GLN 110 Ca -0.08 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 1oiy h GLN 110 Cb 0.74 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1oiy h GLN 110 CO 0.09 0.57 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.25 1oiy h LEU 111 N 0.89 0.46 -1.45 1.46 3.38 -0.89 0.14 115.31 119.31 1oiy h LEU 111 Ca 0.27 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1oiy h LEU 111 Cb -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1oiy h LEU 111 CO -0.07 0.88 -0.28 -0.07 0.09 0.00 0.00 178.44 178.99 1oiy h LEU 112 N 0.33 0.00 0.44 1.67 3.38 0.76 0.61 115.31 122.50 1oiy h LEU 112 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1oiy h LEU 112 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1oiy h LEU 112 CO 0.09 0.28 -0.21 1.56 0.09 0.00 0.00 178.44 180.24 1oiy h GLN 113 N 0.00 -0.58 -0.97 1.13 4.20 0.05 0.34 115.11 119.28 1oiy h GLN 113 Ca -0.00 0.04 0.30 0.00 0.06 0.00 0.00 58.65 59.05 1oiy h GLN 113 Cb 0.51 0.13 -0.15 0.00 0.30 0.00 0.00 27.48 28.27 1oiy h GLN 113 CO 0.04 -0.31 0.48 0.78 -0.67 0.00 0.00 178.83 179.15 1oiy h GLY 114 N -1.09 1.90 1.25 3.46 0.00 -0.62 -1.65 103.07 106.32 1oiy h GLY 114 Ca -0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 47.33 46.77 1oiy h GLY 114 CO 0.10 -0.47 -1.32 -2.00 0.00 0.00 0.00 176.54 172.85 1oiy h LEU 115 N 0.29 0.87 -0.75 3.11 5.85 0.52 -2.88 115.31 122.32 1oiy h LEU 115 Ca 0.69 -0.84 0.10 0.00 0.84 0.00 0.00 57.88 58.67 1oiy h LEU 115 Cb 1.54 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 1oiy h LEU 115 CO -0.62 1.64 0.39 0.00 -0.34 0.00 0.00 178.44 179.51 1oiy h ALA 116 N 0.25 1.06 0.01 1.25 0.00 0.22 -0.84 119.26 121.20 1oiy h ALA 116 Ca -0.21 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1oiy h ALA 116 Cb 2.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1oiy h ALA 116 CO 0.25 -0.03 -0.18 0.35 0.00 0.00 0.00 179.25 179.65 1oiy h PHE 117 N 0.64 -0.46 -0.08 0.00 3.57 -1.33 0.34 116.94 119.62 1oiy h PHE 117 Ca 0.38 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.93 1oiy h PHE 117 Cb 0.41 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1oiy h PHE 117 CO -0.10 -0.26 -0.28 0.00 -2.23 0.00 0.00 178.31 175.44 1oiy h HIS 119 N -0.38 0.39 -0.94 0.00 3.86 -0.84 -0.81 115.15 116.43 1oiy h HIS 119 Ca 0.08 0.02 0.22 0.00 -1.16 0.00 0.00 60.37 59.54 1oiy h HIS 119 Cb 0.51 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 1oiy h HIS 119 CO -0.35 0.21 0.62 0.77 0.86 0.00 0.00 177.93 180.04 1oiy h SER 120 N 0.43 0.37 -0.87 2.45 0.02 -0.09 -0.96 113.55 114.89 1oiy h SER 120 Ca 0.18 0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 60.58 1oiy h SER 120 Cb 0.07 -0.02 -0.32 0.00 0.14 0.00 0.00 62.40 62.27 1oiy h SER 120 CO -0.12 0.13 0.25 1.41 -1.14 0.00 0.00 176.83 177.37 1oiy n HIS 121 N -4.50 2.91 -2.84 3.45 8.25 -0.42 -4.94 115.22 117.13 1oiy n HIS 121 Ca 0.21 -2.60 -0.16 0.00 -0.26 0.00 0.00 57.72 54.90 1oiy n HIS 121 Cb 0.77 -1.00 -0.00 0.00 1.12 0.00 0.00 29.99 30.88 1oiy n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1oiy n ARG 122 N -0.88 -2.83 -4.14 -0.41 -4.01 -0.37 -4.94 116.66 99.08 1oiy n ARG 122 Ca 0.55 0.51 -0.34 0.00 -1.04 0.00 0.00 57.85 57.52 1oiy n ARG 122 Cb 0.85 -5.15 -0.15 0.00 -3.04 0.00 0.00 32.46 24.97 1oiy n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1oiy s VAL 123 N -2.71 2.83 -0.10 8.89 1.01 -0.53 -0.71 120.40 129.09 1oiy s VAL 123 Ca 0.17 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1oiy s VAL 123 Cb -0.09 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1oiy s VAL 123 CO 0.21 0.48 0.61 -0.76 0.00 0.00 0.00 175.10 175.64 1oiy s LEU 124 N 1.22 4.28 -0.02 3.92 1.43 0.67 -3.58 118.68 126.60 1oiy s LEU 124 Ca 0.02 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.99 1oiy s LEU 124 Cb -0.14 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.08 1oiy s LEU 124 CO -0.05 -0.09 0.70 -0.74 0.23 0.00 0.00 176.35 176.40 1oiy h HIS 125 N 6.83 -0.48 -0.78 0.29 -0.00 -1.87 0.40 115.15 119.54 1oiy h HIS 125 Ca -0.40 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 59.79 1oiy h HIS 125 Cb 1.18 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 28.71 1oiy h HIS 125 CO 0.65 -0.30 -0.19 0.54 -0.00 0.00 0.00 177.93 178.63 1oiy n ARG 126 N -4.51 -0.64 -1.29 5.26 1.74 -1.26 -2.39 116.66 113.56 1oiy n ARG 126 Ca -0.06 0.63 -0.03 0.00 -0.77 0.00 0.00 57.85 57.62 1oiy n ARG 126 Cb 0.21 -4.55 0.00 0.00 -1.02 0.00 0.00 32.46 27.10 1oiy n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1oiy n ASP 127 N 0.49 -0.63 -4.75 0.55 2.03 -1.26 -1.40 116.55 111.58 1oiy n ASP 127 Ca -0.09 -1.30 -0.41 0.00 0.52 0.00 0.00 54.79 53.51 1oiy n ASP 127 Cb 0.42 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 41.03 1oiy n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1oiy s LEU 128 N -0.86 4.41 -0.26 -2.67 1.43 -1.26 -4.85 118.68 114.62 1oiy s LEU 128 Ca 0.02 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.39 1oiy s LEU 128 Cb 0.09 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.86 1oiy s LEU 128 CO -0.03 -0.58 1.28 -1.59 0.23 0.00 0.00 176.35 175.66 1oiy s LYS 129 N -0.70 0.18 0.56 1.70 -2.85 -1.26 -4.88 119.74 112.49 1oiy s LYS 129 Ca 0.55 0.03 0.32 0.00 -1.00 0.00 0.00 55.97 55.87 1oiy s LYS 129 Cb -0.39 0.08 1.72 0.00 -2.06 0.00 0.00 37.83 37.19 1oiy s LYS 129 CO 0.44 -0.06 1.96 -1.35 0.10 0.00 0.00 175.35 176.44 1oiy h PRO 130 N 2.15 0.00 -0.01 1.78 0.11 -1.93 0.27 132.00 134.37 1oiy h PRO 130 Ca -0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 1oiy h PRO 130 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1oiy h PRO 130 CO 0.24 0.00 -0.62 1.96 -0.21 0.00 0.00 178.00 179.37 1oiy h GLN 131 N 0.00 0.05 -0.65 1.05 7.50 -1.95 0.15 115.11 121.25 1oiy h GLN 131 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 1oiy h GLN 131 Cb 0.30 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1oiy h GLN 131 CO 0.00 0.65 0.00 0.09 -1.50 0.00 0.00 178.83 178.07 1oiy n ASN 132 N -3.82 4.05 -3.88 1.46 4.13 0.96 -4.69 115.26 113.48 1oiy n ASN 132 Ca -0.01 -2.48 -0.25 0.00 1.68 0.00 0.00 54.58 53.51 1oiy n ASN 132 Cb 0.62 -0.56 -0.17 0.00 -1.54 0.00 0.00 39.78 38.13 1oiy n ASN 132 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1oiy s LEU 133 N -1.73 1.08 0.18 3.41 1.43 -1.19 -0.02 118.68 121.84 1oiy s LEU 133 Ca 0.39 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1oiy s LEU 133 Cb 0.27 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1oiy s LEU 133 CO 0.16 -0.12 -0.16 -0.76 0.23 0.00 0.00 176.35 175.70 1oiy s LEU 134 N 1.59 2.75 0.05 1.79 1.43 -0.79 0.13 118.68 125.64 1oiy s LEU 134 Ca 0.01 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1oiy s LEU 134 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1oiy s LEU 134 CO -0.05 0.11 -0.04 0.27 0.23 0.00 0.00 176.35 176.87 1oiy s ILE 135 N -1.68 0.30 0.42 -0.59 -5.25 0.01 0.19 121.20 114.61 1oiy s ILE 135 Ca 0.23 -1.69 0.06 0.00 -0.99 0.00 0.00 60.65 58.26 1oiy s ILE 135 Cb -0.08 -1.35 -0.06 0.00 2.95 0.00 0.00 42.46 43.91 1oiy s ILE 135 CO 0.13 -0.89 0.06 0.54 -1.79 0.00 0.00 174.94 172.98 1oiy s ASN 136 N -2.71 4.05 -0.58 4.36 2.20 -1.16 -1.71 114.94 119.39 1oiy s ASN 136 Ca 0.04 -1.33 -0.05 0.00 -0.94 0.00 0.00 52.86 50.57 1oiy s ASN 136 Cb 0.05 -0.30 -0.12 0.00 -2.00 0.00 0.00 41.25 38.88 1oiy s ASN 136 CO -0.08 -0.53 2.45 0.35 -2.94 0.00 0.00 177.10 176.35 1oiy n THR 137 N -1.08 2.48 0.00 0.54 -2.24 -1.26 -3.45 114.28 109.27 1oiy n THR 137 Ca -0.06 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1oiy n THR 137 Cb 0.66 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 1oiy n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oiy n GLU 138 N 3.41 0.48 0.00 -0.78 1.02 -1.26 -5.03 120.64 118.48 1oiy n GLU 138 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1oiy n GLU 138 Cb 0.37 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 1oiy n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oiy n GLY 139 N -0.10 1.64 3.76 0.62 0.00 -1.22 -4.33 105.19 105.56 1oiy n GLY 139 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1oiy n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oiy s ALA 140 N -1.97 3.06 -0.01 4.61 0.00 -1.26 -4.83 121.76 121.37 1oiy s ALA 140 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1oiy s ALA 140 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1oiy s ALA 140 CO 0.00 -0.95 -0.03 -1.50 0.00 0.00 0.00 175.76 173.28 1oiy s ILE 141 N -1.34 0.26 0.00 0.00 2.07 -1.26 -2.99 121.20 117.94 1oiy s ILE 141 Ca 0.63 -0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.79 1oiy s ILE 141 Cb -0.36 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 1oiy s ILE 141 CO 0.45 0.08 -0.16 -0.54 -1.91 0.00 0.00 174.94 172.87 1oiy s LYS 142 N 0.01 1.21 0.17 3.50 1.02 0.13 -4.62 119.74 121.16 1oiy s LYS 142 Ca 0.00 -0.61 -0.32 0.00 0.02 0.00 0.00 55.97 55.06 1oiy s LYS 142 Cb -0.02 -1.19 -0.12 0.00 -0.52 0.00 0.00 37.83 35.98 1oiy s LYS 142 CO -0.00 0.32 1.76 1.28 -0.92 0.00 0.00 175.35 177.79 1oiy n LEU 143 N 2.50 3.98 -4.25 3.17 4.77 0.64 -1.88 117.00 125.93 1oiy n LEU 143 Ca -0.15 1.03 -0.16 0.00 -0.03 0.00 0.00 56.01 56.70 1oiy n LEU 143 Cb 0.55 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 1oiy n LEU 143 CO 0.24 0.16 -0.17 0.00 -1.33 0.00 0.00 177.39 176.29 1oiy s ALA 144 N 1.74 1.57 -0.16 -1.18 0.00 0.97 -1.64 121.76 123.06 1oiy s ALA 144 Ca 0.78 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1oiy s ALA 144 Cb -0.51 1.43 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1oiy s ALA 144 CO 0.34 -0.63 0.08 -3.47 0.00 0.00 0.00 175.76 172.08 1oiy n ASP 145 N -0.97 -5.41 -1.41 0.00 -0.08 -1.26 -4.71 116.55 102.71 1oiy n ASP 145 Ca 0.05 1.12 0.09 0.00 -1.51 0.00 0.00 54.79 54.54 1oiy n ASP 145 Cb 0.64 -3.90 0.33 0.00 2.34 0.00 0.00 41.12 40.52 1oiy n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1oiy n PHE 146 N 1.45 1.36 -0.33 -0.67 3.01 -1.26 -4.49 117.46 116.53 1oiy n PHE 146 Ca -0.13 -0.66 0.20 0.00 1.01 0.00 0.00 57.45 57.88 1oiy n PHE 146 Cb 0.30 -0.26 0.46 0.00 -0.01 0.00 0.00 39.48 39.96 1oiy n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1oiy h GLY 147 N 3.49 1.42 -3.27 1.37 0.00 -1.92 -1.62 103.07 102.53 1oiy h GLY 147 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1oiy h GLY 147 CO 0.24 -0.14 0.06 1.04 0.00 0.00 0.00 176.54 177.74 1oiy n LEU 148 N -4.70 5.55 -4.93 3.11 4.32 -1.26 -4.74 117.00 114.35 1oiy n LEU 148 Ca 0.25 -3.04 -0.25 0.00 -0.02 0.00 0.00 56.01 52.95 1oiy n LEU 148 Cb 0.80 -0.68 0.03 0.00 -1.62 0.00 0.00 43.42 41.95 1oiy n LEU 148 CO 0.23 0.69 0.46 0.00 -1.22 0.00 0.00 177.39 177.55 1oiy s ALA 149 N -2.85 3.46 -0.11 -1.18 0.00 -0.61 -4.29 121.76 116.18 1oiy s ALA 149 Ca 0.53 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1oiy s ALA 149 Cb 0.41 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 21.17 1oiy s ALA 149 CO 0.14 -0.72 0.68 -0.98 0.00 0.00 0.00 175.76 174.88 1oiy s ARG 150 N -4.87 0.99 -0.42 0.00 1.04 0.14 -4.91 118.95 110.92 1oiy s ARG 150 Ca 0.53 0.44 -0.28 0.00 -1.04 0.00 0.00 55.73 55.39 1oiy s ARG 150 Cb -0.10 0.47 0.02 0.00 -2.04 0.00 0.00 34.95 33.30 1oiy s ARG 150 CO 0.43 -0.26 1.06 0.00 -0.04 0.00 0.00 175.30 176.48 1oiy s ALA 151 N -0.77 3.29 0.66 7.88 0.00 -1.26 -0.24 121.76 131.33 1oiy s ALA 151 Ca -0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 1oiy s ALA 151 Cb -0.01 -3.75 0.08 0.00 0.00 0.00 0.00 23.12 19.44 1oiy s ALA 151 CO 0.07 -1.93 0.92 -0.59 0.00 0.00 0.00 175.76 174.24 1oiy s PHE 152 N 4.00 2.36 0.46 0.00 -0.71 0.11 -4.98 117.98 119.22 1oiy s PHE 152 Ca 0.44 -0.00 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 1oiy s PHE 152 Cb -0.10 -2.99 -0.04 0.00 -1.21 0.00 0.00 43.02 38.69 1oiy s PHE 152 CO 0.25 -1.36 0.02 0.20 -1.34 0.00 0.00 175.22 172.99 1oiy s GLY 153 N -4.57 2.79 -0.19 1.99 0.00 -1.26 -4.92 107.32 101.16 1oiy s GLY 153 Ca 0.62 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1oiy s GLY 153 CO 0.42 -2.13 -0.12 0.14 0.00 0.00 0.00 173.10 171.42 1oiy s VAL 154 N -2.86 1.69 1.07 1.40 1.01 -1.26 -1.46 120.40 119.98 1oiy s VAL 154 Ca 0.18 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1oiy s VAL 154 Cb 0.05 -1.70 0.25 0.00 0.00 0.00 0.00 36.38 34.97 1oiy s VAL 154 CO 0.09 0.25 1.28 -2.16 0.00 0.00 0.00 175.10 174.56 1oiy s PRO 155 N 1.39 -0.18 0.52 2.72 0.04 -1.26 -5.06 135.00 133.17 1oiy s PRO 155 Ca 0.00 -0.40 -0.21 0.00 0.04 0.00 0.00 61.00 60.43 1oiy s PRO 155 Cb -0.15 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1oiy s PRO 155 CO -0.09 -2.97 1.00 1.33 0.04 0.00 0.00 177.00 176.31 1oiy n VAL 156 N -4.16 3.09 -3.31 -0.36 0.24 -0.54 -5.03 118.33 108.27 1oiy n VAL 156 Ca 0.16 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 1oiy n VAL 156 Cb 0.59 -1.19 0.03 0.00 -1.47 0.00 0.00 33.84 31.81 1oiy n VAL 156 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1oiy n ARG 157 N -0.47 0.81 -2.15 7.34 1.85 -1.26 -4.96 116.66 117.81 1oiy n ARG 157 Ca 0.11 -2.23 -0.42 0.00 -1.00 0.00 0.00 57.85 54.31 1oiy n ARG 157 Cb 0.44 -0.01 -0.03 0.00 -1.05 0.00 0.00 32.46 31.82 1oiy n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1oiy s THR 158 N -1.62 3.74 -0.07 8.89 2.01 -1.26 -4.79 115.64 122.53 1oiy s THR 158 Ca 0.34 0.98 -0.08 0.00 0.31 0.00 0.00 61.69 63.23 1oiy s THR 158 Cb -0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1oiy s THR 158 CO 0.22 -0.06 -0.16 -1.22 -0.69 0.00 0.00 174.62 172.70 1oiy n TYR 159 N 6.53 0.00 0.08 4.92 4.01 -1.26 -5.09 117.16 126.36 1oiy n TYR 159 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1oiy n TYR 159 Cb 0.43 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1oiy n TYR 159 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1oiy n HIS 161 N -3.53 -1.12 -2.55 -0.72 8.25 -1.26 -5.08 115.22 109.21 1oiy n HIS 161 Ca -0.07 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1oiy n HIS 161 Cb 0.24 0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 1oiy n HIS 161 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1oiy s GLU 162 N -2.00 3.46 -0.25 -0.41 0.41 -1.26 -4.92 118.70 113.73 1oiy s GLU 162 Ca 0.00 0.24 -0.24 0.00 -0.41 0.00 0.00 54.97 54.55 1oiy s GLU 162 Cb 0.00 -4.04 0.07 0.00 -1.78 0.00 0.00 34.13 28.37 1oiy s GLU 162 CO 0.00 -1.76 0.69 0.08 -0.49 0.00 0.00 175.26 173.78 1oiy s VAL 163 N 5.18 0.00 0.15 2.63 1.01 -1.26 -5.12 120.40 122.99 1oiy s VAL 163 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1oiy s VAL 163 Cb -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1oiy s VAL 163 CO 0.24 -0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.86 1oiy n VAL 164 N 2.61 -4.56 -1.67 2.92 0.31 -0.49 -4.88 118.33 112.56 1oiy n VAL 164 Ca -0.14 1.36 -0.46 0.00 -0.01 0.00 0.00 64.34 65.08 1oiy n VAL 164 Cb 0.55 -2.63 -0.04 0.00 -0.91 0.00 0.00 33.84 30.81 1oiy n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1oiy n THR 165 N 0.26 0.05 0.00 2.52 -1.04 -1.26 -4.80 114.28 110.01 1oiy n THR 165 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1oiy n THR 165 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1oiy n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1oiy n LEU 166 N 3.69 0.00 -0.11 -4.42 7.94 -1.26 -1.90 117.00 120.94 1oiy n LEU 166 Ca 0.18 0.04 0.27 0.00 -1.11 0.00 0.00 56.01 55.39 1oiy n LEU 166 Cb 0.29 -0.01 0.69 0.00 0.53 0.00 0.00 43.42 44.91 1oiy n LEU 166 CO 0.64 -0.01 1.24 -0.50 -1.11 0.00 0.00 177.39 177.66 1oiy h TRP 167 N 0.00 0.00 -0.29 1.96 4.06 -1.84 0.80 115.95 120.63 1oiy h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1oiy h TRP 167 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1oiy h TRP 167 CO -0.02 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.52 1oiy n TYR 168 N -3.77 0.85 -3.21 0.49 4.01 -0.80 -4.38 117.16 110.36 1oiy n TYR 168 Ca 0.17 -0.78 -0.33 0.00 -0.16 0.00 0.00 57.90 56.80 1oiy n TYR 168 Cb 1.01 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 39.74 1oiy n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1oiy s ARG 169 N -2.36 3.98 0.19 -0.72 3.52 0.27 -3.62 118.95 120.21 1oiy s ARG 169 Ca 0.38 0.59 -0.15 0.00 -0.13 0.00 0.00 55.73 56.42 1oiy s ARG 169 Cb 0.29 -2.55 -0.07 0.00 -1.56 0.00 0.00 34.95 31.05 1oiy s ARG 169 CO 0.11 0.23 0.61 0.00 -0.81 0.00 0.00 175.30 175.44 1oiy s ALA 170 N -1.87 3.51 0.12 6.12 0.00 -1.26 -4.96 121.76 123.41 1oiy s ALA 170 Ca 0.51 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 1oiy s ALA 170 Cb -0.11 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 1oiy s ALA 170 CO 0.19 0.42 1.62 -1.35 0.00 0.00 0.00 175.76 176.63 1oiy h PRO 171 N 3.31 -0.50 -0.56 0.00 0.11 -1.98 -0.08 132.00 132.30 1oiy h PRO 171 Ca -0.48 0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.82 1oiy h PRO 171 Cb 1.19 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1oiy h PRO 171 CO 0.66 -0.33 0.69 1.05 -0.21 0.00 0.00 178.00 179.85 1oiy h GLU 172 N -0.51 0.00 0.00 1.05 9.09 -1.95 0.14 114.58 122.39 1oiy h GLU 172 Ca 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.42 1oiy h GLU 172 Cb 0.56 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1oiy h GLU 172 CO -0.20 0.00 -0.18 0.82 0.05 0.00 0.00 179.01 179.50 1oiy h ILE 173 N 0.00 1.24 0.00 -1.06 2.04 -1.37 -1.55 117.51 116.81 1oiy h ILE 173 Ca 0.27 -1.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.13 1oiy h ILE 173 Cb 1.63 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1oiy h ILE 173 CO -0.00 0.42 -0.02 -0.07 0.00 0.00 0.00 178.15 178.47 1oiy h LEU 174 N -1.00 0.00 -1.34 1.44 3.38 -0.37 -1.24 115.31 116.18 1oiy h LEU 174 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1oiy h LEU 174 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1oiy h LEU 174 CO -0.03 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1oiy n LEU 175 N -3.32 2.05 0.00 1.67 4.77 0.26 -4.91 117.00 117.52 1oiy n LEU 175 Ca -0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1oiy n LEU 175 Cb 0.14 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1oiy n LEU 175 CO 0.24 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1oiy n GLY 176 N 1.23 0.52 3.68 -0.72 0.00 -0.47 -2.00 105.19 107.43 1oiy n GLY 176 Ca 0.17 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.31 1oiy n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oiy n LYS 178 N 5.18 0.70 -3.76 0.00 2.85 -1.26 -4.34 118.16 117.53 1oiy n LYS 178 Ca 0.19 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.32 1oiy n LYS 178 Cb 0.31 -1.07 -0.14 0.00 -0.65 0.00 0.00 35.03 33.48 1oiy n LYS 178 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1oiy s TYR 179 N -2.00 -0.16 0.09 5.58 2.02 -1.26 -4.10 117.35 117.51 1oiy s TYR 179 Ca 0.05 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.21 1oiy s TYR 179 Cb 0.02 -0.07 -0.00 0.00 -0.40 0.00 0.00 41.96 41.51 1oiy s TYR 179 CO 0.04 -0.15 0.02 2.48 -1.57 0.00 0.00 175.55 176.37 1oiy n TYR 180 N 4.07 0.07 -2.70 2.71 0.18 -1.26 -4.93 117.16 115.30 1oiy n TYR 180 Ca -0.25 -0.52 0.00 0.00 1.88 0.00 0.00 57.90 59.01 1oiy n TYR 180 Cb 0.52 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1oiy n TYR 180 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1oiy n SER 181 N -1.78 0.00 0.32 9.48 2.88 -1.26 -4.90 113.62 118.36 1oiy n SER 181 Ca -0.02 -0.17 0.13 0.00 -1.33 0.00 0.00 58.87 57.49 1oiy n SER 181 Cb 0.12 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.30 1oiy n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1oiy h THR 182 N 0.17 0.00 -0.46 2.46 1.35 -1.99 -2.21 112.91 112.23 1oiy h THR 182 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1oiy h THR 182 Cb 0.00 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1oiy h THR 182 CO 0.00 0.00 0.31 0.00 -0.25 0.00 0.00 175.52 175.58 1oiy h ALA 183 N 1.22 0.59 -0.98 6.62 0.00 -1.93 -2.62 119.26 122.15 1oiy h ALA 183 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1oiy h ALA 183 Cb 0.77 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1oiy h ALA 183 CO 0.00 0.03 0.62 -0.39 0.00 0.00 0.00 179.25 179.52 1oiy h VAL 184 N 0.63 0.98 -0.69 0.00 -1.51 -1.82 0.76 116.25 114.60 1oiy h VAL 184 Ca 0.17 -0.35 -0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1oiy h VAL 184 Cb -0.07 -0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 28.93 1oiy h VAL 184 CO -0.04 0.19 0.24 0.44 -1.23 0.00 0.00 177.57 177.16 1oiy h ASP 185 N 1.02 0.98 0.61 4.19 3.32 -1.66 -0.25 116.42 124.63 1oiy h ASP 185 Ca 0.46 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1oiy h ASP 185 Cb 0.38 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1oiy h ASP 185 CO -0.21 0.90 -0.29 0.40 -1.72 0.00 0.00 179.24 178.31 1oiy h ILE 186 N 1.02 0.37 -0.75 0.35 1.08 -0.89 -1.56 117.51 117.12 1oiy h ILE 186 Ca 0.23 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.65 1oiy h ILE 186 Cb 0.26 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 34.33 1oiy h ILE 186 CO -0.01 0.02 -0.46 -0.25 -0.69 0.00 0.00 178.15 176.76 1oiy h TRP 187 N -0.91 -1.48 -0.71 1.37 2.91 -0.40 0.63 115.95 117.37 1oiy h TRP 187 Ca -0.08 0.10 0.12 0.00 1.13 0.00 0.00 58.89 60.16 1oiy h TRP 187 Cb 0.66 0.74 -0.09 0.00 -0.51 0.00 0.00 29.16 29.97 1oiy h TRP 187 CO -0.02 -0.29 0.28 0.77 -1.03 0.00 0.00 178.44 178.15 1oiy h SER 188 N -0.02 0.28 -0.64 2.65 0.02 -1.01 0.88 113.55 115.71 1oiy h SER 188 Ca 0.12 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1oiy h SER 188 Cb 0.33 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1oiy h SER 188 CO -0.72 0.13 0.34 -0.07 -1.14 0.00 0.00 176.83 175.37 1oiy h LEU 189 N 0.45 0.81 0.26 5.07 3.38 0.13 0.89 115.31 126.30 1oiy h LEU 189 Ca 0.38 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1oiy h LEU 189 Cb 0.53 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1oiy h LEU 189 CO -0.36 0.68 -0.34 1.23 0.09 0.00 0.00 178.44 179.75 1oiy h GLY 190 N 0.87 -0.73 0.29 0.83 0.00 0.22 0.12 103.07 104.67 1oiy h GLY 190 Ca 0.22 0.39 0.17 0.00 0.00 0.00 0.00 47.33 48.11 1oiy h GLY 190 CO -0.03 -0.27 0.61 0.00 0.00 0.00 0.00 176.54 176.85 1oiy h ILE 192 N 0.78 1.34 0.06 0.00 2.04 0.15 -2.95 117.51 118.92 1oiy h ILE 192 Ca 0.53 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1oiy h ILE 192 Cb 0.80 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1oiy h ILE 192 CO -0.31 0.47 -0.03 0.15 0.00 0.00 0.00 178.15 178.44 1oiy h PHE 193 N 0.08 -0.07 -0.68 1.37 3.57 0.14 -2.90 116.94 118.46 1oiy h PHE 193 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1oiy h PHE 193 Cb 0.86 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 1oiy h PHE 193 CO 0.01 0.41 -0.55 0.00 -2.23 0.00 0.00 178.31 175.95 1oiy h ALA 194 N 0.30 -0.62 -1.21 2.41 0.00 -1.50 -0.82 119.26 117.81 1oiy h ALA 194 Ca -0.01 0.07 0.37 0.00 0.00 0.00 0.00 54.91 55.34 1oiy h ALA 194 Cb 0.51 1.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 1oiy h ALA 194 CO 0.01 -0.99 0.79 1.49 0.00 0.00 0.00 179.25 180.55 1oiy h GLU 195 N -0.21 0.19 -0.14 0.00 4.81 -1.47 0.16 114.58 117.92 1oiy h GLU 195 Ca 0.13 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1oiy h GLU 195 Cb 0.52 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1oiy h GLU 195 CO -0.75 0.13 -0.26 0.52 -0.73 0.00 0.00 179.01 177.91 1oiy h MET 196 N 0.20 0.42 -0.00 1.92 2.86 -0.94 -2.46 114.93 116.93 1oiy h MET 196 Ca 0.72 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1oiy h MET 196 Cb 2.17 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.86 1oiy h MET 196 CO -0.35 0.87 -0.01 -0.39 1.06 0.00 0.00 176.91 178.09 1oiy h VAL 197 N 0.02 1.55 -0.02 -2.22 -1.51 -0.95 -3.38 116.25 109.75 1oiy h VAL 197 Ca 0.01 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.84 1oiy h VAL 197 Cb 0.85 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1oiy h VAL 197 CO 0.06 0.43 0.00 0.35 -1.23 0.00 0.00 177.57 177.18 1oiy n THR 198 N -4.74 0.02 -0.57 7.19 -2.24 0.40 -4.91 114.28 109.44 1oiy n THR 198 Ca -0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1oiy n THR 198 Cb 0.35 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1oiy n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1oiy n ARG 199 N -0.66 -1.93 -3.80 -0.78 5.12 -0.93 -4.92 116.66 108.76 1oiy n ARG 199 Ca 0.17 0.28 -0.12 0.00 -1.93 0.00 0.00 57.85 56.25 1oiy n ARG 199 Cb 0.12 -3.91 -0.09 0.00 -1.16 0.00 0.00 32.46 27.43 1oiy n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1oiy s ARG 200 N -1.13 0.67 0.72 5.56 1.04 -1.24 -5.03 118.95 119.53 1oiy s ARG 200 Ca 0.00 -0.39 -0.15 0.00 -1.04 0.00 0.00 55.73 54.14 1oiy s ARG 200 Cb 0.00 0.29 0.03 0.00 -2.04 0.00 0.00 34.95 33.23 1oiy s ARG 200 CO 0.00 -0.19 1.21 0.00 -0.04 0.00 0.00 175.30 176.28 1oiy s ALA 201 N -1.87 2.17 0.01 7.88 0.00 -1.26 -4.02 121.76 124.67 1oiy s ALA 201 Ca -0.10 0.90 0.09 0.00 0.00 0.00 0.00 51.96 52.85 1oiy s ALA 201 Cb -0.04 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.38 1oiy s ALA 201 CO 0.00 -1.80 0.88 1.25 0.00 0.00 0.00 175.76 176.09 1oiy h LEU 202 N -0.17 0.03 -5.90 0.00 5.85 -1.88 -3.38 115.31 109.87 1oiy h LEU 202 Ca -0.48 -0.05 -0.50 0.00 0.84 0.00 0.00 57.88 57.69 1oiy h LEU 202 Cb 1.30 -0.01 -0.37 0.00 0.37 0.00 0.00 40.66 41.95 1oiy h LEU 202 CO 0.50 1.05 -1.07 0.49 -0.34 0.00 0.00 178.44 179.07 1oiy n PHE 203 N -3.18 -0.50 -1.12 1.25 3.72 -1.26 -4.96 117.46 111.41 1oiy n PHE 203 Ca -0.11 -3.46 -0.35 0.00 -0.05 0.00 0.00 57.45 53.47 1oiy n PHE 203 Cb 1.01 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 1oiy n PHE 203 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1oiy n PRO 204 N 1.04 2.18 -2.44 -1.08 -0.02 -1.26 -4.46 135.00 128.95 1oiy n PRO 204 Ca 0.21 -1.87 -0.37 0.00 -2.02 0.00 0.00 63.50 59.45 1oiy n PRO 204 Cb 0.58 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1oiy n PRO 204 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1oiy s GLY 205 N 3.83 2.76 -0.09 -1.23 0.00 -1.26 -4.97 107.32 106.36 1oiy s GLY 205 Ca 0.51 0.79 0.13 0.00 0.00 0.00 0.00 44.72 46.15 1oiy s GLY 205 CO 0.01 1.24 1.30 2.09 0.00 0.00 0.00 173.10 177.74 1oiy n ASP 206 N -0.15 3.22 -3.56 1.64 5.68 -1.26 -4.70 116.55 117.41 1oiy n ASP 206 Ca 0.05 -2.52 -0.12 0.00 -0.50 0.00 0.00 54.79 51.70 1oiy n ASP 206 Cb 0.49 -0.36 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 1oiy n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1oiy s SER 207 N -1.54 -0.44 0.20 -1.12 1.04 -1.26 -4.96 113.70 105.62 1oiy s SER 207 Ca 0.30 0.48 -0.21 0.00 0.48 0.00 0.00 55.95 57.00 1oiy s SER 207 Cb 0.22 0.37 0.14 0.00 0.10 0.00 0.00 66.02 66.84 1oiy s SER 207 CO 0.10 -0.40 1.50 -0.62 0.98 0.00 0.00 173.24 174.80 1oiy n GLU 208 N 0.79 -0.29 -0.04 4.02 1.02 -1.26 0.27 120.64 125.15 1oiy n GLU 208 Ca -0.12 1.48 -0.11 0.00 -0.02 0.00 0.00 57.16 58.39 1oiy n GLU 208 Cb 0.58 -2.19 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 1oiy n GLU 208 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1oiy h ILE 209 N 0.00 1.15 -0.78 -3.67 6.09 -1.96 -2.35 117.51 115.99 1oiy h ILE 209 Ca 0.28 -0.46 0.10 0.00 -1.37 0.00 0.00 64.86 63.41 1oiy h ILE 209 Cb 0.52 1.15 -0.05 0.00 0.47 0.00 0.00 36.82 38.91 1oiy h ILE 209 CO -0.94 0.15 0.51 -0.78 -3.07 0.00 0.00 178.15 174.01 1oiy h ASP 210 N 0.12 0.61 0.69 2.19 3.58 -1.38 -1.57 116.42 120.66 1oiy h ASP 210 Ca 0.06 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1oiy h ASP 210 Cb 0.17 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.11 1oiy h ASP 210 CO -0.00 0.36 -0.34 -0.61 -2.88 0.00 0.00 179.24 175.76 1oiy h GLN 211 N 0.67 -0.91 -0.59 0.28 5.75 0.44 -1.77 115.11 118.99 1oiy h GLN 211 Ca 0.36 0.06 0.11 0.00 -0.15 0.00 0.00 58.65 59.03 1oiy h GLN 211 Cb 0.50 0.21 -0.11 0.00 1.07 0.00 0.00 27.48 29.15 1oiy h GLN 211 CO -0.14 -0.61 -0.32 -0.07 -2.65 0.00 0.00 178.83 175.05 1oiy h LEU 212 N -0.94 -1.10 -0.52 -2.39 3.38 -1.23 -1.92 115.31 110.58 1oiy h LEU 212 Ca -0.09 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1oiy h LEU 212 Cb 0.73 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1oiy h LEU 212 CO 0.15 -0.30 -0.24 -0.26 0.09 0.00 0.00 178.44 177.88 1oiy h PHE 213 N -0.15 -0.62 -0.80 1.13 0.04 -1.09 1.08 116.94 116.54 1oiy h PHE 213 Ca 0.24 0.06 0.15 0.00 2.80 0.00 0.00 57.97 61.21 1oiy h PHE 213 Cb 0.54 0.35 -0.10 0.00 2.20 0.00 0.00 35.95 38.95 1oiy h PHE 213 CO -0.62 -0.32 0.36 0.00 -0.60 0.00 0.00 178.31 177.12 1oiy h ARG 214 N -0.12 0.49 0.21 1.51 2.47 -0.57 1.39 114.38 119.77 1oiy h ARG 214 Ca 0.24 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1oiy h ARG 214 Cb 0.49 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1oiy h ARG 214 CO -0.60 0.32 -0.22 0.82 0.56 0.00 0.00 179.97 180.86 1oiy h ILE 215 N 0.51 0.53 -0.34 2.04 2.04 0.14 -0.40 117.51 122.02 1oiy h ILE 215 Ca 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.30 1oiy h ILE 215 Cb 0.66 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1oiy h ILE 215 CO -0.40 0.00 0.19 -0.26 0.00 0.00 0.00 178.15 177.69 1oiy h PHE 216 N -0.46 0.44 -0.02 1.37 -1.00 0.16 0.10 116.94 117.52 1oiy h PHE 216 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1oiy h PHE 216 Cb 0.44 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1oiy h PHE 216 CO -0.16 0.30 -0.90 0.00 -1.61 0.00 0.00 178.31 175.94 1oiy h ARG 217 N 0.46 0.45 0.09 1.51 3.08 0.25 0.17 114.38 120.39 1oiy h ARG 217 Ca 0.12 -0.46 -0.34 0.00 0.07 0.00 0.00 59.98 59.38 1oiy h ARG 217 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1oiy h ARG 217 CO -0.02 1.11 -1.86 1.15 -1.07 0.00 0.00 179.97 179.27 1oiy h THR 218 N 0.27 0.74 -0.01 2.04 2.02 -0.82 -3.39 112.91 113.76 1oiy h THR 218 Ca -0.07 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.61 1oiy h THR 218 Cb 1.53 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1oiy h THR 218 CO 0.16 0.76 -0.48 0.18 0.37 0.00 0.00 175.52 176.50 1oiy n LEU 219 N -3.34 1.85 -0.33 2.58 4.77 0.34 -3.40 117.00 119.46 1oiy n LEU 219 Ca -0.25 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1oiy n LEU 219 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1oiy n LEU 219 CO 0.44 0.35 -0.09 0.61 -1.33 0.00 0.00 177.39 177.38 1oiy n GLY 220 N 1.36 -3.58 3.66 -0.72 0.00 0.60 -4.70 105.19 101.81 1oiy n GLY 220 Ca 0.08 -0.91 -0.57 0.00 0.00 0.00 0.00 46.02 44.62 1oiy n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oiy n THR 221 N -0.43 0.15 -2.16 2.61 -1.04 -1.01 -4.79 114.28 107.61 1oiy n THR 221 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 1oiy n THR 221 Cb 0.00 -0.91 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1oiy n THR 221 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1oiy s PRO 222 N 2.23 4.38 0.37 -2.82 0.04 -1.26 -4.90 135.00 133.04 1oiy s PRO 222 Ca 0.94 2.14 0.08 0.00 0.04 0.00 0.00 61.00 64.20 1oiy s PRO 222 Cb -1.10 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 1oiy s PRO 222 CO 0.61 -0.22 0.00 0.16 0.04 0.00 0.00 177.00 177.59 1oiy s ASP 223 N -0.07 3.98 0.32 6.66 1.47 -1.26 -4.97 116.67 122.79 1oiy s ASP 223 Ca 0.53 -1.19 0.04 0.00 1.18 0.00 0.00 52.55 53.11 1oiy s ASP 223 Cb -0.38 -0.43 0.65 0.00 -0.34 0.00 0.00 42.92 42.42 1oiy s ASP 223 CO 0.45 -0.34 1.89 -0.33 0.68 0.00 0.00 175.17 177.52 1oiy h GLU 224 N 1.81 0.86 0.00 2.11 4.39 -1.97 0.39 114.58 122.17 1oiy h GLU 224 Ca -0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1oiy h GLU 224 Cb 1.25 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1oiy h GLU 224 CO 0.73 0.57 0.00 0.28 -1.16 0.00 0.00 179.01 179.43 1oiy n VAL 225 N -4.53 0.16 -0.06 3.13 0.31 -1.26 -1.88 118.33 114.19 1oiy n VAL 225 Ca 0.15 0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1oiy n VAL 225 Cb 0.31 -0.84 -0.07 0.00 -0.91 0.00 0.00 33.84 32.33 1oiy n VAL 225 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1oiy n VAL 226 N -1.07 0.77 -3.22 2.52 3.14 0.12 -5.00 118.33 115.60 1oiy n VAL 226 Ca 0.09 -0.36 -0.01 0.00 -2.96 0.00 0.00 64.34 61.10 1oiy n VAL 226 Cb 0.06 -0.89 -0.02 0.00 -1.06 0.00 0.00 33.84 31.93 1oiy n VAL 226 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1oiy s TRP 227 N -2.27 -1.52 -0.06 1.45 -0.00 -0.14 -4.45 118.94 111.95 1oiy s TRP 227 Ca -0.14 0.47 -0.29 0.00 -0.00 0.00 0.00 56.10 56.14 1oiy s TRP 227 Cb 0.04 0.17 -0.07 0.00 -0.00 0.00 0.00 33.47 33.61 1oiy s TRP 227 CO 0.36 -1.09 1.98 -2.14 -0.00 0.00 0.00 176.95 176.06 1oiy s PRO 228 N 2.29 3.84 0.00 5.86 0.02 -1.06 -3.04 135.00 142.92 1oiy s PRO 228 Ca 0.13 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1oiy s PRO 228 Cb -0.09 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1oiy s PRO 228 CO -0.18 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 1oiy n GLY 229 N 4.85 3.88 0.21 0.52 0.00 -1.26 -5.04 105.19 108.35 1oiy n GLY 229 Ca 0.22 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.38 1oiy n GLY 229 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oiy n VAL 230 N 0.00 -0.28 -0.33 1.61 0.31 -1.17 -0.77 118.33 117.70 1oiy n VAL 230 Ca 0.00 1.32 -0.00 0.00 -0.01 0.00 0.00 64.34 65.65 1oiy n VAL 230 Cb 0.00 -1.77 0.17 0.00 -0.91 0.00 0.00 33.84 31.33 1oiy n VAL 230 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1oiy h THR 231 N 0.00 1.20 -1.15 2.52 1.35 -1.93 -3.03 112.91 111.87 1oiy h THR 231 Ca 0.22 -0.42 -0.61 0.00 -0.55 0.00 0.00 66.41 65.06 1oiy h THR 231 Cb 0.36 -0.13 -0.24 0.00 -1.73 0.00 0.00 68.15 66.41 1oiy h THR 231 CO -0.57 0.22 0.76 -1.20 -0.25 0.00 0.00 175.52 174.49 1oiy n SER 232 N -4.42 7.25 -4.58 5.36 7.64 0.05 -4.85 113.62 120.07 1oiy n SER 232 Ca 0.12 -3.57 -0.32 0.00 1.01 0.00 0.00 58.87 56.11 1oiy n SER 232 Cb 0.06 -1.05 -0.11 0.00 -1.01 0.00 0.00 64.21 62.10 1oiy n SER 232 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1oiy s MET 233 N -3.18 2.44 0.00 1.43 1.75 -1.15 -5.04 119.30 115.55 1oiy s MET 233 Ca 0.54 -0.80 0.15 0.00 -1.25 0.00 0.00 55.69 54.34 1oiy s MET 233 Cb 0.42 -2.44 0.92 0.00 2.84 0.00 0.00 34.83 36.57 1oiy s MET 233 CO -0.14 0.58 1.48 -0.35 -0.65 0.00 0.00 175.02 175.94 1oiy n PRO 234 N 1.42 0.84 0.00 4.11 -0.04 -1.26 -1.73 135.00 138.35 1oiy n PRO 234 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1oiy n PRO 234 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1oiy n PRO 234 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oiy n ASP 235 N -0.78 0.73 -4.76 3.54 8.00 -0.85 -4.95 116.55 117.48 1oiy n ASP 235 Ca 0.12 -1.23 -0.37 0.00 0.71 0.00 0.00 54.79 54.02 1oiy n ASP 235 Cb 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1oiy n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1oiy s TYR 236 N -0.23 2.48 -0.04 1.24 6.14 -0.71 -4.89 117.35 121.34 1oiy s TYR 236 Ca 0.00 1.47 0.01 0.00 0.64 0.00 0.00 57.07 59.19 1oiy s TYR 236 Cb 0.00 -3.56 0.02 0.00 0.42 0.00 0.00 41.96 38.84 1oiy s TYR 236 CO 0.00 -2.26 -0.03 0.15 0.64 0.00 0.00 175.55 174.04 1oiy s LYS 237 N -3.03 0.73 0.18 4.97 1.02 -1.26 -4.93 119.74 117.41 1oiy s LYS 237 Ca 0.72 -0.06 0.23 0.00 0.02 0.00 0.00 55.97 56.88 1oiy s LYS 237 Cb -0.33 -0.79 0.90 0.00 -0.52 0.00 0.00 37.83 37.09 1oiy s LYS 237 CO 0.38 -0.11 1.71 -0.35 -0.92 0.00 0.00 175.35 176.06 1oiy n PRO 238 N 4.15 0.16 0.06 -1.68 -0.04 -1.26 -1.32 135.00 135.07 1oiy n PRO 238 Ca -0.24 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1oiy n PRO 238 Cb 0.51 -1.75 0.45 0.00 -0.04 0.00 0.00 33.50 32.67 1oiy n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1oiy n SER 239 N -2.04 0.39 -4.51 3.54 3.41 -1.26 -4.85 113.62 108.31 1oiy n SER 239 Ca 0.04 0.57 -0.56 0.00 -0.26 0.00 0.00 58.87 58.66 1oiy n SER 239 Cb 0.28 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1oiy n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1oiy n PHE 240 N -1.90 1.67 -1.56 7.33 3.72 -0.43 -4.84 117.46 121.44 1oiy n PHE 240 Ca 0.04 0.51 -0.44 0.00 -0.05 0.00 0.00 57.45 57.52 1oiy n PHE 240 Cb 0.29 -2.44 -0.01 0.00 -0.94 0.00 0.00 39.48 36.38 1oiy n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1oiy n PRO 241 N 6.93 1.13 -3.34 -1.08 -0.02 -1.26 -4.89 135.00 132.47 1oiy n PRO 241 Ca 0.39 0.40 -0.46 0.00 -2.02 0.00 0.00 63.50 61.81 1oiy n PRO 241 Cb 0.12 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1oiy n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1oiy s LYS 242 N -1.61 4.02 0.62 -0.52 1.02 -1.26 -4.73 119.74 117.28 1oiy s LYS 242 Ca 0.61 -2.99 -0.13 0.00 0.02 0.00 0.00 55.97 53.47 1oiy s LYS 242 Cb -0.67 -4.52 -0.03 0.00 -0.52 0.00 0.00 37.83 32.09 1oiy s LYS 242 CO 0.59 -1.26 1.04 -1.58 -0.92 0.00 0.00 175.35 173.22 1oiy s TRP 243 N -0.84 3.22 0.12 3.18 0.51 -1.26 -4.91 118.94 118.96 1oiy s TRP 243 Ca 0.27 1.43 0.03 0.00 -2.12 0.00 0.00 56.10 55.71 1oiy s TRP 243 Cb -0.10 -2.88 -0.04 0.00 -0.81 0.00 0.00 33.47 29.64 1oiy s TRP 243 CO -0.08 -0.96 0.17 0.00 -0.51 0.00 0.00 176.95 175.56 1oiy s ALA 244 N -2.82 3.75 -0.31 0.98 0.00 -1.26 -2.39 121.76 119.71 1oiy s ALA 244 Ca 0.59 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1oiy s ALA 244 Cb -0.13 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1oiy s ALA 244 CO 0.45 0.64 1.77 0.50 0.00 0.00 0.00 175.76 179.12 1oiy s ARG 245 N -2.84 3.43 0.25 0.00 3.52 -1.26 -4.51 118.95 117.53 1oiy s ARG 245 Ca 0.32 1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 57.10 1oiy s ARG 245 Cb -0.11 -4.17 -0.14 0.00 -1.56 0.00 0.00 34.95 28.97 1oiy s ARG 245 CO 0.25 -1.74 1.19 1.04 -0.81 0.00 0.00 175.30 175.23 1oiy n GLN 246 N 8.29 1.56 -0.52 5.12 6.02 -1.22 -4.97 117.38 131.66 1oiy n GLN 246 Ca 0.22 0.55 -0.28 0.00 -0.01 0.00 0.00 57.00 57.48 1oiy n GLN 246 Cb 0.46 -2.06 0.26 0.00 1.02 0.00 0.00 30.24 29.93 1oiy n GLN 246 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1oiy s ASP 247 N -0.14 0.51 -0.07 1.08 -4.77 -1.26 -4.91 116.67 107.12 1oiy s ASP 247 Ca 0.65 1.36 0.09 0.00 -3.30 0.00 0.00 52.55 51.36 1oiy s ASP 247 Cb -0.72 -2.10 -0.24 0.00 -1.09 0.00 0.00 42.92 38.78 1oiy s ASP 247 CO 0.55 -4.47 0.56 0.33 0.70 0.00 0.00 175.17 172.84 1oiy n PHE 248 N -5.08 0.97 -0.29 2.11 7.35 -1.26 -3.86 117.46 117.39 1oiy n PHE 248 Ca 0.04 0.32 0.11 0.00 -0.76 0.00 0.00 57.45 57.16 1oiy n PHE 248 Cb 0.55 -1.17 0.28 0.00 0.35 0.00 0.00 39.48 39.49 1oiy n PHE 248 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1oiy h SER 249 N 0.01 0.24 0.92 -2.13 4.64 -1.94 -2.44 113.55 112.85 1oiy h SER 249 Ca -0.33 0.15 -0.22 0.00 -0.47 0.00 0.00 61.79 60.92 1oiy h SER 249 Cb 2.03 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 64.25 1oiy h SER 249 CO 0.08 -0.02 -1.10 0.11 -0.87 0.00 0.00 176.83 175.03 1oiy h LYS 250 N 0.36 0.01 0.46 4.77 1.57 -1.94 -2.77 116.57 119.04 1oiy h LYS 250 Ca 0.53 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1oiy h LYS 250 Cb 0.98 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1oiy h LYS 250 CO -0.53 0.95 -0.22 0.28 -0.57 0.00 0.00 179.45 179.36 1oiy h VAL 251 N 0.00 0.55 -3.17 0.50 2.07 -1.55 -3.32 116.25 111.33 1oiy h VAL 251 Ca -0.05 -0.05 -0.63 0.00 0.82 0.00 0.00 66.70 66.80 1oiy h VAL 251 Cb 1.81 0.57 -0.41 0.00 -1.52 0.00 0.00 31.29 31.74 1oiy h VAL 251 CO 0.13 0.01 -0.63 0.68 0.02 0.00 0.00 177.57 177.77 1oiy s VAL 252 N -5.98 2.49 0.02 2.57 -7.23 -1.13 -5.02 120.40 106.12 1oiy s VAL 252 Ca -0.16 -3.62 -0.15 0.00 -1.81 0.00 0.00 61.98 56.25 1oiy s VAL 252 Cb 0.04 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 1oiy s VAL 252 CO 0.62 -0.92 1.15 -0.65 -0.31 0.00 0.00 175.10 174.99 1oiy h PRO 253 N 6.02 -0.51 0.00 4.82 0.11 -1.60 -3.30 132.00 137.54 1oiy h PRO 253 Ca 0.04 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1oiy h PRO 253 Cb 0.84 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1oiy h PRO 253 CO 0.67 -0.34 0.00 -2.30 -0.21 0.00 0.00 178.00 175.81 1oiy n PRO 254 N -3.51 0.36 -2.83 1.05 -0.02 -1.26 -4.66 135.00 124.13 1oiy n PRO 254 Ca -0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 1oiy n PRO 254 Cb 0.21 -1.21 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1oiy n PRO 254 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oiy s LEU 255 N -1.42 3.94 0.00 2.45 1.02 -1.24 -5.09 118.68 118.33 1oiy s LEU 255 Ca 0.07 1.64 -0.01 0.00 0.02 0.00 0.00 54.13 55.85 1oiy s LEU 255 Cb 0.03 -4.49 0.04 0.00 0.02 0.00 0.00 46.19 41.79 1oiy s LEU 255 CO 0.06 -0.36 0.25 -0.90 0.02 0.00 0.00 176.35 175.43 1oiy n ASP 256 N -0.66 0.24 0.30 2.29 3.85 -1.26 -4.85 116.55 116.46 1oiy n ASP 256 Ca 0.07 -1.22 0.14 0.00 -0.71 0.00 0.00 54.79 53.06 1oiy n ASP 256 Cb 0.54 -0.17 0.76 0.00 -1.35 0.00 0.00 41.12 40.89 1oiy n ASP 256 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1oiy h GLU 257 N 0.00 0.00 0.00 0.11 4.81 -1.98 -1.50 114.58 116.02 1oiy h GLU 257 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1oiy h GLU 257 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1oiy h GLU 257 CO 0.08 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.11 1oiy n ASP 258 N -2.74 0.00 0.00 1.04 9.92 -1.26 -4.12 116.55 119.39 1oiy n ASP 258 Ca -0.02 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1oiy n ASP 258 Cb 0.34 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1oiy n ASP 258 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oiy n GLY 259 N -0.94 -2.82 2.76 0.44 0.00 -0.57 -3.03 105.19 101.03 1oiy n GLY 259 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1oiy n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oiy n ARG 260 N -1.70 0.00 0.05 1.61 1.74 -1.19 -0.11 116.66 117.06 1oiy n ARG 260 Ca 0.00 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1oiy n ARG 260 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1oiy n ARG 260 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1oiy n SER 261 N 3.83 -0.87 0.09 0.55 3.41 -1.24 -4.94 113.62 114.44 1oiy n SER 261 Ca 0.00 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1oiy n SER 261 Cb 0.00 1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.93 1oiy n SER 261 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1oiy h LEU 262 N 0.00 -0.20 0.09 1.04 5.85 -0.43 -3.31 115.31 118.35 1oiy h LEU 262 Ca 0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1oiy h LEU 262 Cb 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1oiy h LEU 262 CO 0.00 0.17 -0.16 0.25 -0.34 0.00 0.00 178.44 178.35 1oiy h LEU 263 N -0.61 -0.47 -0.52 2.25 5.85 -1.77 -1.86 115.31 118.17 1oiy h LEU 263 Ca -0.02 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1oiy h LEU 263 Cb 0.45 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1oiy h LEU 263 CO 0.04 -0.19 0.32 -1.54 -0.34 0.00 0.00 178.44 176.73 1oiy n SER 264 N -3.34 0.11 0.03 1.25 3.41 -1.26 0.27 113.62 114.09 1oiy n SER 264 Ca -0.03 0.62 -0.20 0.00 -0.26 0.00 0.00 58.87 59.00 1oiy n SER 264 Cb 0.14 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 1oiy n SER 264 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1oiy h GLN 265 N 0.00 0.60 0.00 4.33 4.20 -1.43 -1.46 115.11 121.36 1oiy h GLN 265 Ca 0.36 -0.66 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1oiy h GLN 265 Cb 1.10 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1oiy h GLN 265 CO -0.24 1.26 -0.13 0.52 -0.67 0.00 0.00 178.83 179.58 1oiy h MET 266 N 0.21 0.00 0.00 1.46 2.86 0.42 -2.33 114.93 117.55 1oiy h MET 266 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1oiy h MET 266 Cb 1.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.26 1oiy h MET 266 CO 0.18 0.13 -0.96 1.28 1.06 0.00 0.00 176.91 178.60 1oiy n LEU 267 N -3.32 0.69 -4.69 1.22 4.77 -0.37 -4.09 117.00 111.20 1oiy n LEU 267 Ca -0.00 -0.19 -0.63 0.00 -0.03 0.00 0.00 56.01 55.16 1oiy n LEU 267 Cb 0.35 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1oiy n LEU 267 CO 0.30 0.13 1.28 1.57 -1.33 0.00 0.00 177.39 179.35 1oiy n HIS 268 N -1.71 1.84 0.18 -1.77 -0.00 -0.56 -4.88 115.22 108.31 1oiy n HIS 268 Ca 0.03 0.85 -0.15 0.00 0.46 0.00 0.00 57.72 58.91 1oiy n HIS 268 Cb 0.38 -2.34 -0.08 0.00 -0.12 0.00 0.00 29.99 27.84 1oiy n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1oiy h TYR 269 N 6.40 -1.10 -2.00 1.57 0.05 -1.90 -3.38 116.97 116.60 1oiy h TYR 269 Ca -0.42 0.02 -0.59 0.00 0.05 0.00 0.00 58.73 57.79 1oiy h TYR 269 Cb 1.35 0.45 0.01 0.00 1.01 0.00 0.00 36.73 39.55 1oiy h TYR 269 CO 0.73 -0.52 1.33 -3.47 -1.05 0.00 0.00 178.16 175.18 1oiy n ASP 270 N -5.47 3.45 -0.21 3.88 -0.08 -1.26 -4.86 116.55 112.00 1oiy n ASP 270 Ca -0.09 0.59 0.01 0.00 -1.51 0.00 0.00 54.79 53.80 1oiy n ASP 270 Cb 0.38 -1.48 0.11 0.00 2.34 0.00 0.00 41.12 42.47 1oiy n ASP 270 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1oiy h PRO 271 N 12.26 0.13 -0.29 -0.67 0.11 -1.95 0.45 132.00 142.05 1oiy h PRO 271 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1oiy h PRO 271 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1oiy h PRO 271 CO 0.96 0.09 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.91 1oiy h ASN 272 N 0.14 0.41 0.69 -2.05 2.35 -1.94 -2.70 115.58 112.48 1oiy h ASN 272 Ca 0.33 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1oiy h ASN 272 Cb 0.53 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1oiy h ASN 272 CO -0.52 0.49 -1.33 0.29 -1.65 0.00 0.00 177.43 174.72 1oiy n LYS 273 N -4.29 0.62 -1.57 0.81 4.76 -0.78 -4.91 118.16 112.79 1oiy n LYS 273 Ca 0.01 0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 55.05 1oiy n LYS 273 Cb 0.24 -1.74 -0.01 0.00 -1.84 0.00 0.00 35.03 31.68 1oiy n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1oiy n ARG 274 N -2.59 1.21 -2.00 1.97 0.63 0.15 -4.84 116.66 111.20 1oiy n ARG 274 Ca -0.03 0.43 -0.42 0.00 -0.92 0.00 0.00 57.85 56.92 1oiy n ARG 274 Cb 0.59 -1.80 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 1oiy n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1oiy s ILE 275 N -1.13 2.67 0.31 5.15 2.07 -0.89 -5.00 121.20 124.39 1oiy s ILE 275 Ca 0.60 0.54 -0.28 0.00 -1.41 0.00 0.00 60.65 60.10 1oiy s ILE 275 Cb -0.68 -3.34 -0.09 0.00 0.13 0.00 0.00 42.46 38.47 1oiy s ILE 275 CO 0.59 0.07 1.06 -0.94 -1.91 0.00 0.00 174.94 173.81 1oiy s SER 276 N 0.59 7.18 0.28 4.50 1.04 -1.26 -4.89 113.70 121.13 1oiy s SER 276 Ca 0.62 2.14 0.02 0.00 0.48 0.00 0.00 55.95 59.21 1oiy s SER 276 Cb -0.42 -2.61 0.66 0.00 0.10 0.00 0.00 66.02 63.75 1oiy s SER 276 CO 0.40 -0.20 1.71 0.00 0.98 0.00 0.00 173.24 176.13 1oiy h ALA 277 N 3.46 1.34 0.08 5.32 0.00 -1.94 0.29 119.26 127.81 1oiy h ALA 277 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1oiy h ALA 277 Cb 1.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1oiy h ALA 277 CO 0.66 -0.29 -0.20 0.87 0.00 0.00 0.00 179.25 180.29 1oiy h LYS 278 N 0.43 -0.30 -0.93 0.00 1.57 -1.93 -2.09 116.57 113.31 1oiy h LYS 278 Ca 0.52 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.58 1oiy h LYS 278 Cb 0.94 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1oiy h LYS 278 CO -0.49 -0.20 0.66 0.00 -0.57 0.00 0.00 179.45 178.85 1oiy h ALA 279 N -1.24 2.76 -0.06 3.86 0.00 -1.61 0.75 119.26 123.71 1oiy h ALA 279 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1oiy h ALA 279 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1oiy h ALA 279 CO -0.09 -1.03 -0.37 0.00 0.00 0.00 0.00 179.25 177.76 1oiy h ALA 280 N 1.55 1.26 -0.34 0.00 0.00 0.04 -3.14 119.26 118.64 1oiy h ALA 280 Ca 0.46 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1oiy h ALA 280 Cb 1.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1oiy h ALA 280 CO -0.05 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.37 1oiy h LEU 281 N 0.11 0.74 -3.77 0.00 3.38 0.12 -3.19 115.31 112.70 1oiy h LEU 281 Ca 0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1oiy h LEU 281 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1oiy h LEU 281 CO 0.05 0.98 -0.03 0.00 0.09 0.00 0.00 178.44 179.53 1oiy n ALA 282 N -2.50 3.65 -2.67 1.53 0.00 -1.16 -4.83 120.51 114.53 1oiy n ALA 282 Ca -0.01 -0.48 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1oiy n ALA 282 Cb 0.46 -1.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1oiy n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1oiy s HIS 283 N 1.13 2.79 0.34 0.00 5.04 -1.21 -4.98 115.29 118.41 1oiy s HIS 283 Ca 0.18 -0.25 0.15 0.00 -1.54 0.00 0.00 55.06 53.59 1oiy s HIS 283 Cb 0.08 -1.72 1.12 0.00 0.04 0.00 0.00 32.58 32.11 1oiy s HIS 283 CO 0.00 0.11 1.62 -1.35 -2.34 0.00 0.00 174.74 172.77 1oiy h PRO 284 N 5.74 0.15 -1.14 2.88 0.11 -1.92 0.78 132.00 138.60 1oiy h PRO 284 Ca -0.41 -0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.05 1oiy h PRO 284 Cb 1.17 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1oiy h PRO 284 CO 0.53 0.10 0.71 0.35 -0.21 0.00 0.00 178.00 179.47 1oiy h PHE 285 N 0.15 0.69 -0.05 0.65 3.57 -1.94 -1.77 116.94 118.24 1oiy h PHE 285 Ca 0.75 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.28 1oiy h PHE 285 Cb 1.81 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1oiy h PHE 285 CO -0.08 -0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.06 1oiy n PHE 286 N -4.80 0.04 0.00 0.41 3.72 0.27 -4.56 117.46 112.55 1oiy n PHE 286 Ca 0.32 -0.02 -0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1oiy n PHE 286 Cb 1.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.61 1oiy n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1oiy h GLN 287 N 2.77 0.09 -0.78 -1.08 3.07 -1.41 -2.12 115.11 115.65 1oiy h GLN 287 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1oiy h GLN 287 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.13 1oiy h GLN 287 CO 0.00 0.15 0.00 -0.40 0.09 0.00 0.00 178.83 178.67 1oiy n ASP 288 N -4.99 1.73 -4.54 0.06 5.68 -1.26 -4.97 116.55 108.24 1oiy n ASP 288 Ca -0.06 -2.15 -0.45 0.00 -0.50 0.00 0.00 54.79 51.63 1oiy n ASP 288 Cb 0.07 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 39.58 1oiy n ASP 288 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1oiy n VAL 289 N 0.09 2.00 -4.53 2.12 3.14 -0.80 -5.02 118.33 115.33 1oiy n VAL 289 Ca 0.05 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.67 1oiy n VAL 289 Cb 0.38 -0.79 -0.10 0.00 -1.06 0.00 0.00 33.84 32.27 1oiy n VAL 289 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1oiy s THR 290 N -1.11 2.18 -0.60 1.55 -4.23 -1.26 -5.09 115.64 107.07 1oiy s THR 290 Ca 0.60 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1oiy s THR 290 Cb -0.72 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 70.48 1oiy s THR 290 CO 0.59 -0.10 0.55 0.29 -0.54 0.00 0.00 174.62 175.41 1oiy n LYS 291 N -0.92 1.65 -2.51 3.99 5.02 -1.26 -4.33 118.16 119.79 1oiy n LYS 291 Ca -0.05 -4.19 -0.25 0.00 -2.02 0.00 0.00 58.31 51.81 1oiy n LYS 291 Cb 0.65 -2.06 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1oiy n LYS 291 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1oiy s PRO 292 N -1.49 2.75 -0.18 1.97 0.05 -1.26 -4.91 135.00 131.93 1oiy s PRO 292 Ca 0.32 -0.27 -0.09 0.00 0.05 0.00 0.00 61.00 61.01 1oiy s PRO 292 Cb 0.05 -2.34 -0.05 0.00 0.05 0.00 0.00 34.50 32.21 1oiy s PRO 292 CO -0.12 -0.72 0.12 0.08 0.05 0.00 0.00 177.00 176.41 1oiy s VAL 293 N -2.92 5.32 1.39 -0.36 1.01 -1.26 -4.12 120.40 119.47 1oiy s VAL 293 Ca 0.54 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 1oiy s VAL 293 Cb -0.10 -3.40 0.36 0.00 0.00 0.00 0.00 36.38 33.23 1oiy s VAL 293 CO 0.43 0.48 0.94 -0.81 0.00 0.00 0.00 175.10 176.14 1oiy n PRO 294 N 3.22 -4.33 -2.83 2.72 -0.04 -1.26 -5.01 135.00 127.46 1oiy n PRO 294 Ca -0.17 -1.56 -0.30 0.00 -0.04 0.00 0.00 63.50 61.44 1oiy n PRO 294 Cb 0.53 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1oiy n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1oiy s HIS 295 N -2.40 3.49 -0.03 0.54 5.65 -1.26 -5.03 115.29 116.25 1oiy s HIS 295 Ca 0.68 0.99 0.00 0.00 0.25 0.00 0.00 55.06 56.98 1oiy s HIS 295 Cb -0.10 -2.40 0.00 0.00 -1.18 0.00 0.00 32.58 28.90 1oiy s HIS 295 CO 0.56 -0.13 0.51 -0.11 -0.65 0.00 0.00 174.74 174.92