#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8r s ALA 0 N 0.00 2.89 0.36 5.41 0.00 -1.26 -5.11 121.76 124.05 2r8r s ALA 0 Ca 0.00 -1.57 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 2r8r s ALA 0 Cb 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.39 2r8r s ALA 0 CO 0.00 0.41 1.48 0.50 0.00 0.00 0.00 175.76 178.15 2r8r s ARG 1 N -3.00 4.14 0.84 0.00 3.52 -1.26 -4.03 118.95 119.15 2r8r s ARG 1 Ca 0.26 2.54 -0.11 0.00 -0.13 0.00 0.00 55.73 58.28 2r8r s ARG 1 Cb -0.08 -2.98 0.10 0.00 -1.56 0.00 0.00 34.95 30.43 2r8r s ARG 1 CO 0.15 -0.51 1.13 0.20 -0.81 0.00 0.00 175.30 175.47 2r8r s GLY 2 N -0.12 1.76 -0.11 8.12 0.00 0.11 -4.90 107.32 112.19 2r8r s GLY 2 Ca 0.53 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.73 2r8r s GLY 2 CO 0.61 0.90 0.02 0.50 0.00 0.00 0.00 173.10 175.13 2r8r s ARG 3 N -4.65 3.26 -0.32 2.90 0.52 -1.26 -4.89 118.95 114.52 2r8r s ARG 3 Ca 0.66 -0.39 -0.09 0.00 -0.52 0.00 0.00 55.73 55.38 2r8r s ARG 3 Cb -0.21 -2.91 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 2r8r s ARG 3 CO 0.55 0.59 0.15 -1.17 0.02 0.00 0.00 175.30 175.44 2r8r s LEU 4 N -0.55 4.14 -0.22 2.53 2.96 -1.26 -0.84 118.68 125.44 2r8r s LEU 4 Ca 0.10 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 2r8r s LEU 4 Cb -0.12 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2r8r s LEU 4 CO 0.02 -0.21 0.11 -0.75 -1.32 0.00 0.00 176.35 174.20 2r8r s LYS 5 N 1.59 3.96 -0.21 1.98 2.20 -0.17 0.79 119.74 129.88 2r8r s LYS 5 Ca 0.04 -0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.26 2r8r s LYS 5 Cb -0.17 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2r8r s LYS 5 CO 0.06 0.09 0.03 0.08 -0.36 0.00 0.00 175.35 175.25 2r8r s VAL 6 N 0.93 4.21 -0.49 4.02 1.01 -1.26 -1.08 120.40 127.73 2r8r s VAL 6 Ca 0.06 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2r8r s VAL 6 Cb -0.13 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2r8r s VAL 6 CO 0.03 0.40 0.69 -0.36 0.00 0.00 0.00 175.10 175.86 2r8r s PHE 7 N 1.10 3.00 -0.09 5.22 0.08 0.31 -1.08 117.98 126.53 2r8r s PHE 7 Ca 0.03 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 2r8r s PHE 7 Cb -0.14 -3.58 -0.05 0.00 -0.57 0.00 0.00 43.02 38.68 2r8r s PHE 7 CO 0.02 -1.05 0.35 -1.17 -0.10 0.00 0.00 175.22 173.28 2r8r s LEU 8 N 2.94 4.36 0.18 -0.37 2.96 0.76 -2.19 118.68 127.32 2r8r s LEU 8 Ca 0.20 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 2r8r s LEU 8 Cb -0.16 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 2r8r s LEU 8 CO 0.15 0.21 0.02 -0.83 -1.32 0.00 0.00 176.35 174.58 2r8r s GLY 9 N -0.28 1.28 0.14 7.98 0.00 -0.45 -0.62 107.32 115.36 2r8r s GLY 9 Ca 0.21 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.39 2r8r s GLY 9 CO 0.09 -1.52 1.27 0.00 0.00 0.00 0.00 173.10 172.93 2r8r h ALA 10 N 2.66 0.43 -2.22 3.20 0.00 -1.83 0.41 119.26 121.92 2r8r h ALA 10 Ca -0.37 -0.86 0.16 0.00 0.00 0.00 0.00 54.91 53.85 2r8r h ALA 10 Cb 1.21 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2r8r h ALA 10 CO 0.62 1.16 0.53 0.00 0.00 0.00 0.00 179.25 181.55 2r8r s ALA 11 N -2.75 -1.78 0.50 0.00 0.00 -1.26 -4.52 121.76 111.95 2r8r s ALA 11 Ca 0.01 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 2r8r s ALA 11 Cb 0.09 0.50 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 2r8r s ALA 11 CO 0.81 -0.88 1.36 -2.30 0.00 0.00 0.00 175.76 174.74 2r8r n PRO 12 N -0.37 1.87 0.00 0.00 -0.02 -1.26 -3.61 135.00 131.61 2r8r n PRO 12 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2r8r n PRO 12 Cb 0.61 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2r8r n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r8r n GLY 13 N 0.73 0.90 0.08 -1.23 0.00 -1.26 -4.97 105.19 99.43 2r8r n GLY 13 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2r8r n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2r8r n VAL 14 N -1.33 0.43 0.00 1.61 0.24 -1.24 -4.92 118.33 113.13 2r8r n VAL 14 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2r8r n VAL 14 Cb 0.00 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 2r8r n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2r8r n GLY 15 N 1.35 1.52 0.06 7.63 0.00 -1.26 -4.62 105.19 109.86 2r8r n GLY 15 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2r8r n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r8r h LYS 16 N 0.00 -0.03 -0.25 1.61 1.57 -1.93 -1.54 116.57 116.00 2r8r h LYS 16 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2r8r h LYS 16 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2r8r h LYS 16 CO 0.00 0.07 -0.08 1.15 -0.57 0.00 0.00 179.45 180.02 2r8r h THR 17 N -0.13 1.29 -0.86 -0.16 2.02 -1.95 -2.90 112.91 110.22 2r8r h THR 17 Ca -0.00 -1.11 0.09 0.00 0.77 0.00 0.00 66.41 66.16 2r8r h THR 17 Cb 0.12 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 2r8r h THR 17 CO 0.01 0.34 0.51 0.22 0.37 0.00 0.00 175.52 176.97 2r8r h TYR 18 N 0.23 0.93 0.00 3.16 3.20 -1.93 -0.27 116.97 122.30 2r8r h TYR 18 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2r8r h TYR 18 Cb 0.55 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2r8r h TYR 18 CO 0.05 0.41 0.00 0.00 -1.64 0.00 0.00 178.16 176.98 2r8r n ALA 19 N -2.37 1.82 0.00 1.82 0.00 -0.58 -1.99 120.51 119.20 2r8r n ALA 19 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2r8r n ALA 19 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2r8r n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2r8r n LEU 21 N 0.66 0.00 -0.09 0.00 4.77 -0.11 -1.81 117.00 120.42 2r8r n LEU 21 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2r8r n LEU 21 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2r8r n LEU 21 CO 0.00 0.00 0.62 1.56 -1.33 0.00 0.00 177.39 178.24 2r8r h GLN 22 N 0.00 0.62 -0.47 3.23 1.08 -1.66 -0.42 115.11 117.49 2r8r h GLN 22 Ca 0.00 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 56.92 2r8r h GLN 22 Cb 0.00 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2r8r h GLN 22 CO 0.00 0.89 0.29 0.00 -0.95 0.00 0.00 178.83 179.06 2r8r h ALA 23 N 0.71 0.60 -0.75 3.87 0.00 -1.63 -1.60 119.26 120.47 2r8r h ALA 23 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2r8r h ALA 23 Cb 0.74 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2r8r h ALA 23 CO 0.05 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.69 2r8r h ALA 24 N 1.20 1.04 -0.18 0.00 0.00 -1.78 -2.22 119.26 117.32 2r8r h ALA 24 Ca 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2r8r h ALA 24 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2r8r h ALA 24 CO -0.07 0.00 -0.29 0.45 0.00 0.00 0.00 179.25 179.34 2r8r h HIS 25 N 0.66 0.39 -0.49 0.00 -0.00 -0.45 -1.51 115.15 113.76 2r8r h HIS 25 Ca 0.36 -0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.55 2r8r h HIS 25 Cb 0.36 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 2r8r h HIS 25 CO -0.09 0.61 -0.10 0.00 -0.00 0.00 0.00 177.93 178.35 2r8r h ALA 26 N 1.39 0.90 -0.64 2.45 0.00 -0.88 -1.19 119.26 121.28 2r8r h ALA 26 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2r8r h ALA 26 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2r8r h ALA 26 CO 0.05 0.64 0.26 1.96 0.00 0.00 0.00 179.25 182.16 2r8r h GLN 27 N 0.80 0.95 -0.53 0.00 1.08 -1.05 -2.70 115.11 113.68 2r8r h GLN 27 Ca 0.13 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 2r8r h GLN 27 Cb 0.62 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 2r8r h GLN 27 CO 0.04 0.80 0.15 1.25 -0.95 0.00 0.00 178.83 180.12 2r8r h LEU 28 N 0.90 0.78 -2.07 1.46 5.85 -1.04 -1.51 115.31 119.68 2r8r h LEU 28 Ca 0.21 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2r8r h LEU 28 Cb 0.19 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2r8r h LEU 28 CO -0.02 0.80 0.09 0.03 -0.34 0.00 0.00 178.44 179.00 2r8r h ARG 29 N 0.73 0.00 -0.47 1.25 3.08 -1.14 -1.87 114.38 115.96 2r8r h ARG 29 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2r8r h ARG 29 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2r8r h ARG 29 CO -0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 2r8r n GLN 30 N -4.37 1.84 -0.84 0.04 6.02 -0.65 -4.91 117.38 114.52 2r8r n GLN 30 Ca -0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 2r8r n GLN 30 Cb 0.21 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2r8r n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8r n GLY 31 N 0.65 0.69 3.74 1.08 0.00 -0.70 -5.04 105.19 105.61 2r8r n GLY 31 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2r8r n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r8r s VAL 32 N -2.54 2.90 -0.85 1.61 1.01 -0.73 -4.96 120.40 116.84 2r8r s VAL 32 Ca 0.00 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 2r8r s VAL 32 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2r8r s VAL 32 CO 0.00 0.11 1.57 -0.13 0.00 0.00 0.00 175.10 176.65 2r8r s ARG 33 N -0.17 3.12 0.48 2.72 0.52 -1.26 -4.38 118.95 119.98 2r8r s ARG 33 Ca 0.59 -0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.45 2r8r s ARG 33 Cb -0.40 -4.81 0.03 0.00 0.52 0.00 0.00 34.95 30.29 2r8r s ARG 33 CO 0.40 -2.51 0.56 0.08 0.02 0.00 0.00 175.30 173.85 2r8r s VAL 34 N 6.87 2.50 -0.09 3.52 1.01 -1.26 -0.73 120.40 132.22 2r8r s VAL 34 Ca 0.51 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 2r8r s VAL 34 Cb -0.06 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2r8r s VAL 34 CO 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 175.10 175.07 2r8r s ALA 36 N -2.52 1.16 -0.21 5.51 0.00 0.05 -4.31 121.76 121.44 2r8r s ALA 36 Ca 0.52 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 2r8r s ALA 36 Cb -0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 23.12 22.07 2r8r s ALA 36 CO 0.32 -0.33 0.16 0.41 0.00 0.00 0.00 175.76 176.32 2r8r n GLY 37 N 4.77 -0.76 3.60 0.00 0.00 0.40 -2.13 105.19 111.08 2r8r n GLY 37 Ca -0.14 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2r8r n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8r s VAL 38 N -2.41 -0.81 -0.06 1.61 0.11 -0.64 -4.60 120.40 113.60 2r8r s VAL 38 Ca -0.29 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2r8r s VAL 38 Cb 0.07 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2r8r s VAL 38 CO 0.60 0.01 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.66 2r8r s VAL 39 N 2.67 0.51 -0.41 2.04 1.01 -1.26 -0.87 120.40 124.08 2r8r s VAL 39 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2r8r s VAL 39 Cb -0.11 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2r8r s VAL 39 CO -0.18 0.24 0.32 -1.61 0.00 0.00 0.00 175.10 173.87 2r8r s GLU 40 N 1.32 2.98 0.11 2.72 0.41 -1.26 -4.92 118.70 120.06 2r8r s GLU 40 Ca -0.05 -1.00 0.24 0.00 -0.41 0.00 0.00 54.97 53.75 2r8r s GLU 40 Cb -0.13 -3.98 0.35 0.00 -1.78 0.00 0.00 34.13 28.58 2r8r s GLU 40 CO -0.02 -0.77 1.32 0.25 -0.49 0.00 0.00 175.26 175.55 2r8r n THR 41 N 5.19 0.32 -4.12 3.63 -2.24 -1.26 -4.93 114.28 110.86 2r8r n THR 41 Ca -0.11 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 2r8r n THR 41 Cb 0.47 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2r8r n THR 41 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2r8r n HIS 42 N -2.06 -1.72 0.00 4.78 8.25 -1.26 -1.77 115.22 121.44 2r8r n HIS 42 Ca 0.03 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2r8r n HIS 42 Cb 0.43 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 28.28 2r8r n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2r8r n GLY 43 N -1.66 3.13 3.65 -1.41 0.00 -1.26 -4.59 105.19 103.05 2r8r n GLY 43 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2r8r n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r8r s ARG 44 N -0.30 4.16 0.25 1.61 1.81 -0.73 -4.90 118.95 120.86 2r8r s ARG 44 Ca 0.00 1.68 -0.06 0.00 -1.72 0.00 0.00 55.73 55.63 2r8r s ARG 44 Cb 0.00 -3.82 0.27 0.00 -0.45 0.00 0.00 34.95 30.95 2r8r s ARG 44 CO 0.00 -0.81 1.93 0.00 -0.68 0.00 0.00 175.30 175.74 2r8r h ALA 45 N 8.64 1.29 -0.05 2.13 0.00 -1.94 -0.92 119.26 128.41 2r8r h ALA 45 Ca -0.28 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2r8r h ALA 45 Cb 1.11 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2r8r h ALA 45 CO 0.98 0.65 -0.42 1.05 0.00 0.00 0.00 179.25 181.51 2r8r h GLU 46 N 1.35 0.11 0.12 0.00 4.11 -1.97 -0.89 114.58 117.41 2r8r h GLU 46 Ca 0.37 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.50 2r8r h GLU 46 Cb -0.14 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.14 2r8r h GLU 46 CO -0.09 0.51 -1.06 1.15 0.07 0.00 0.00 179.01 179.59 2r8r h THR 47 N 0.09 1.36 -0.97 -1.06 2.02 -1.80 -2.90 112.91 109.65 2r8r h THR 47 Ca 0.01 -2.44 0.12 0.00 0.77 0.00 0.00 66.41 64.87 2r8r h THR 47 Cb 0.79 2.84 -0.08 0.00 -1.74 0.00 0.00 68.15 69.95 2r8r h THR 47 CO 0.06 0.72 0.60 -0.33 0.37 0.00 0.00 175.52 176.94 2r8r h GLU 48 N 0.05 0.92 -0.40 6.66 5.08 -1.04 -1.42 114.58 124.42 2r8r h GLU 48 Ca -0.17 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2r8r h GLU 48 Cb 1.78 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2r8r h GLU 48 CO 0.20 0.61 0.01 0.00 -1.00 0.00 0.00 179.01 178.83 2r8r h ALA 49 N 1.53 0.53 -0.69 3.43 0.00 -1.14 -1.17 119.26 121.74 2r8r h ALA 49 Ca 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2r8r h ALA 49 Cb 0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2r8r h ALA 49 CO -0.27 0.30 0.39 -0.07 0.00 0.00 0.00 179.25 179.60 2r8r h LEU 50 N 0.52 0.85 -1.07 0.00 3.38 -1.28 -2.95 115.31 114.77 2r8r h LEU 50 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2r8r h LEU 50 Cb 0.45 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2r8r h LEU 50 CO 0.02 0.69 0.45 0.25 0.09 0.00 0.00 178.44 179.94 2r8r h LEU 51 N 0.95 0.98 -1.32 1.67 5.85 -0.95 -2.63 115.31 119.86 2r8r h LEU 51 Ca 0.25 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2r8r h LEU 51 Cb 0.01 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2r8r h LEU 51 CO -0.04 0.77 0.00 0.78 -0.34 0.00 0.00 178.44 179.61 2r8r h ASN 52 N 1.11 0.00 -0.08 1.25 2.35 -1.04 -1.95 115.58 117.21 2r8r h ASN 52 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2r8r h ASN 52 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2r8r h ASN 52 CO -0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.34 2r8r n GLY 53 N -0.15 -0.60 3.13 2.83 0.00 -0.99 -4.86 105.19 104.55 2r8r n GLY 53 Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2r8r n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r8r s LEU 54 N -1.08 2.10 0.43 0.99 1.43 -0.73 -5.09 118.68 116.73 2r8r s LEU 54 Ca 0.09 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 2r8r s LEU 54 Cb 0.05 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.51 2r8r s LEU 54 CO 0.07 0.10 1.24 -2.65 0.23 0.00 0.00 176.35 175.34 2r8r n PRO 55 N 2.30 1.84 -4.50 1.29 -0.02 -1.26 -4.85 135.00 129.80 2r8r n PRO 55 Ca -0.16 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2r8r n PRO 55 Cb 0.55 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.52 2r8r n PRO 55 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2r8r s GLN 56 N -2.24 1.04 -0.27 -0.52 -0.21 -1.26 -0.77 119.66 115.42 2r8r s GLN 56 Ca 0.62 -0.39 -0.12 0.00 0.02 0.00 0.00 55.36 55.49 2r8r s GLN 56 Cb -0.51 -0.98 -0.05 0.00 1.00 0.00 0.00 33.01 32.48 2r8r s GLN 56 CO 0.57 0.19 0.24 -1.14 -2.12 0.00 0.00 175.29 173.03 2r8r s GLN 57 N -0.04 3.97 0.52 2.91 2.00 -0.90 -4.94 119.66 123.18 2r8r s GLN 57 Ca 0.00 -0.22 -0.23 0.00 -2.00 0.00 0.00 55.36 52.92 2r8r s GLN 57 Cb -0.07 -3.65 -0.06 0.00 0.80 0.00 0.00 33.01 30.03 2r8r s GLN 57 CO 0.00 -0.19 1.35 -2.30 -0.50 0.00 0.00 175.29 173.65 2r8r n PRO 58 N 5.09 1.78 -2.56 1.67 -0.02 -1.26 -4.83 135.00 134.87 2r8r n PRO 58 Ca -0.13 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 2r8r n PRO 58 Cb 0.52 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2r8r n PRO 58 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2r8r s LEU 59 N -3.14 3.92 -0.21 2.45 1.43 -1.26 -4.31 118.68 117.56 2r8r s LEU 59 Ca 0.69 1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 55.47 2r8r s LEU 59 Cb -0.43 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.32 2r8r s LEU 59 CO 0.51 -0.69 0.92 -0.76 0.23 0.00 0.00 176.35 176.56 2r8r s LEU 60 N -3.26 4.12 -0.15 1.79 1.43 0.37 -4.82 118.68 118.18 2r8r s LEU 60 Ca 0.65 1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 2r8r s LEU 60 Cb -0.17 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 2r8r s LEU 60 CO 0.21 -0.53 0.31 -0.60 0.23 0.00 0.00 176.35 175.97 2r8r s ARG 61 N 2.73 4.21 0.10 1.70 3.52 -1.26 -1.33 118.95 128.61 2r8r s ARG 61 Ca 0.40 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 2r8r s ARG 61 Cb -0.16 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2r8r s ARG 61 CO 0.09 0.28 -0.05 0.95 -0.81 0.00 0.00 175.30 175.76 2r8r s THR 62 N 0.33 0.59 -0.14 4.11 -4.23 0.22 -4.98 115.64 111.55 2r8r s THR 62 Ca 0.18 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 2r8r s THR 62 Cb -0.13 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2r8r s THR 62 CO 0.05 -0.86 0.03 -1.61 -0.54 0.00 0.00 174.62 171.69 2r8r s GLU 63 N -3.86 3.53 -0.15 3.99 0.41 -1.26 -0.05 118.70 121.31 2r8r s GLU 63 Ca 0.12 -0.38 -0.05 0.00 -0.41 0.00 0.00 54.97 54.24 2r8r s GLU 63 Cb 0.06 -3.01 0.07 0.00 -1.78 0.00 0.00 34.13 29.47 2r8r s GLU 63 CO -0.05 0.46 0.30 -0.47 -0.49 0.00 0.00 175.26 175.01 2r8r s TYR 64 N -0.18 -0.51 -1.47 1.61 5.04 -1.26 -4.91 117.35 115.67 2r8r s TYR 64 Ca 0.06 1.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.75 2r8r s TYR 64 Cb -0.12 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.27 2r8r s TYR 64 CO 0.02 -0.38 0.52 0.54 -1.34 0.00 0.00 175.55 174.90 2r8r n ARG 65 N 5.32 -3.42 -2.88 4.97 1.74 -1.26 -4.74 116.66 116.38 2r8r n ARG 65 Ca -0.07 0.41 -0.07 0.00 -0.77 0.00 0.00 57.85 57.34 2r8r n ARG 65 Cb 0.50 -4.70 0.01 0.00 -1.02 0.00 0.00 32.46 27.25 2r8r n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r8r n GLY 66 N -1.86 -2.19 3.08 -0.13 0.00 -1.26 -5.21 105.19 97.63 2r8r n GLY 66 Ca -0.22 0.90 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 2r8r n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r8r s THR 68 N -2.07 1.78 -0.06 2.61 2.01 -1.26 -5.18 115.64 113.45 2r8r s THR 68 Ca 0.16 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2r8r s THR 68 Cb -0.04 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2r8r s THR 68 CO 0.74 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 174.26 2r8r s LEU 69 N 1.24 2.72 0.01 4.42 1.43 0.92 -4.96 118.68 124.45 2r8r s LEU 69 Ca 0.01 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2r8r s LEU 69 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2r8r s LEU 69 CO -0.08 0.31 -0.25 -1.61 0.23 0.00 0.00 176.35 174.94 2r8r s GLU 70 N -0.51 2.01 0.00 1.70 2.02 -1.26 -0.61 118.70 122.05 2r8r s GLU 70 Ca 0.07 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2r8r s GLU 70 Cb -0.12 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2r8r s GLU 70 CO 0.02 0.54 0.00 -1.91 0.02 0.00 0.00 175.26 173.93 2r8r n GLU 71 N 2.13 0.00 -3.34 1.61 4.07 -0.44 -4.89 120.64 119.77 2r8r n GLU 71 Ca -0.16 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.68 2r8r n GLU 71 Cb 0.51 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.81 2r8r n GLU 71 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2r8r n ASP 73 N 0.00 0.11 -0.21 4.31 -0.08 -1.26 -0.47 116.55 118.95 2r8r n ASP 73 Ca 0.00 -2.58 0.01 0.00 -1.51 0.00 0.00 54.79 50.71 2r8r n ASP 73 Cb 0.00 -0.60 0.11 0.00 2.34 0.00 0.00 41.12 42.97 2r8r n ASP 73 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2r8r h LEU 74 N 4.94 -0.25 -0.65 -2.67 5.85 -1.96 -1.60 115.31 118.96 2r8r h LEU 74 Ca 0.18 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 2r8r h LEU 74 Cb 0.88 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2r8r h LEU 74 CO 0.44 -0.11 0.35 0.44 -0.34 0.00 0.00 178.44 179.22 2r8r h ASP 75 N 0.13 0.82 -0.48 1.25 3.32 -2.01 0.10 116.42 119.55 2r8r h ASP 75 Ca 0.33 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2r8r h ASP 75 Cb 0.54 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2r8r h ASP 75 CO -0.53 0.69 0.07 0.00 -1.72 0.00 0.00 179.24 177.75 2r8r h ALA 76 N 1.17 1.11 -0.32 3.45 0.00 -1.90 -2.15 119.26 120.62 2r8r h ALA 76 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2r8r h ALA 76 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2r8r h ALA 76 CO -0.03 0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 179.65 2r8r h LEU 77 N 0.82 0.62 -0.81 0.00 3.38 -0.67 0.12 115.31 118.76 2r8r h LEU 77 Ca 0.17 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2r8r h LEU 77 Cb 0.39 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2r8r h LEU 77 CO 0.01 0.84 0.50 -0.07 0.09 0.00 0.00 178.44 179.81 2r8r h LEU 78 N 0.40 0.77 -0.21 1.67 3.38 -0.91 -1.23 115.31 119.18 2r8r h LEU 78 Ca 0.08 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 2r8r h LEU 78 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2r8r h LEU 78 CO 0.03 0.50 -0.58 0.50 0.09 0.00 0.00 178.44 178.98 2r8r h LYS 79 N 0.91 0.76 0.00 1.13 3.64 -1.09 -2.98 116.57 118.93 2r8r h LYS 79 Ca 0.36 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2r8r h LYS 79 Cb 0.17 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2r8r h LYS 79 CO -0.17 1.16 -0.04 0.00 -2.27 0.00 0.00 179.45 178.12 2r8r h ALA 80 N 0.60 1.86 -6.21 5.00 0.00 -0.53 -3.47 119.26 116.49 2r8r h ALA 80 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 54.91 54.42 2r8r h ALA 80 Cb 1.20 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 19.04 2r8r h ALA 80 CO 0.12 0.06 -0.91 0.00 0.00 0.00 0.00 179.25 178.52 2r8r n ALA 81 N -2.50 -2.36 -1.26 0.00 0.00 -0.48 -4.97 120.51 108.93 2r8r n ALA 81 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 2r8r n ALA 81 Cb 0.13 -3.38 0.18 0.00 0.00 0.00 0.00 19.45 16.38 2r8r n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2r8r s PRO 82 N -6.00 0.24 0.01 0.00 0.04 -1.26 -4.98 135.00 123.05 2r8r s PRO 82 Ca 0.31 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 2r8r s PRO 82 Cb -0.10 -1.73 -0.27 0.00 0.04 0.00 0.00 34.50 32.44 2r8r s PRO 82 CO 0.85 -2.81 0.90 1.03 0.04 0.00 0.00 177.00 177.00 2r8r h SER 83 N -1.95 0.31 -3.46 6.66 0.87 -1.30 -3.44 113.55 111.25 2r8r h SER 83 Ca -0.52 -0.43 -0.35 0.00 -1.23 0.00 0.00 61.79 59.26 2r8r h SER 83 Cb 1.32 -0.10 -0.35 0.00 -0.44 0.00 0.00 62.40 62.83 2r8r h SER 83 CO 0.54 1.36 -0.74 -0.22 -0.53 0.00 0.00 176.83 177.23 2r8r s LEU 84 N -6.88 0.97 -0.07 2.23 2.96 -0.87 -1.48 118.68 115.54 2r8r s LEU 84 Ca -0.07 -0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 2r8r s LEU 84 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2r8r s LEU 84 CO 0.85 -0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.83 2r8r s VAL 85 N 1.26 2.29 -0.19 1.68 1.01 -0.18 -4.33 120.40 121.94 2r8r s VAL 85 Ca -0.07 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2r8r s VAL 85 Cb -0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2r8r s VAL 85 CO -0.02 0.57 0.37 -0.76 0.00 0.00 0.00 175.10 175.25 2r8r s LEU 86 N -0.10 4.18 -0.35 3.92 1.43 -1.26 -1.62 118.68 124.88 2r8r s LEU 86 Ca -0.05 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2r8r s LEU 86 Cb -0.14 -2.47 0.13 0.00 0.03 0.00 0.00 46.19 43.74 2r8r s LEU 86 CO 0.04 -0.03 0.20 -0.69 0.23 0.00 0.00 176.35 176.10 2r8r s VAL 87 N 1.08 0.24 0.62 -1.59 1.01 0.86 -0.45 120.40 122.17 2r8r s VAL 87 Ca 0.18 -1.64 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 2r8r s VAL 87 Cb -0.14 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2r8r s VAL 87 CO 0.07 -0.94 1.22 0.47 0.00 0.00 0.00 175.10 175.92 2r8r n ASP 88 N 4.19 1.84 -2.77 3.32 8.00 -0.05 -3.52 116.55 127.56 2r8r n ASP 88 Ca 0.09 0.84 -0.02 0.00 0.71 0.00 0.00 54.79 56.41 2r8r n ASP 88 Cb 0.38 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2r8r n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2r8r n GLU 89 N -1.56 -1.45 0.25 -1.24 1.02 -1.07 -4.82 120.64 111.77 2r8r n GLU 89 Ca 0.15 1.55 0.12 0.00 -0.02 0.00 0.00 57.16 58.95 2r8r n GLU 89 Cb 0.47 -5.13 0.75 0.00 -0.02 0.00 0.00 31.44 27.52 2r8r n GLU 89 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2r8r h LEU 90 N 0.86 0.00 -1.28 -4.62 5.85 -1.26 -2.35 115.31 112.51 2r8r h LEU 90 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2r8r h LEU 90 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2r8r h LEU 90 CO 0.23 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 2r8r n ALA 91 N -2.46 2.51 -1.83 1.25 0.00 -1.26 -3.47 120.51 115.25 2r8r n ALA 91 Ca -0.02 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.42 2r8r n ALA 91 Cb 0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2r8r n ALA 91 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2r8r s HIS 92 N -1.76 2.90 -0.17 0.00 5.65 -0.89 -4.22 115.29 116.80 2r8r s HIS 92 Ca 0.33 0.88 -0.19 0.00 0.25 0.00 0.00 55.06 56.33 2r8r s HIS 92 Cb 0.18 -3.95 -0.04 0.00 -1.18 0.00 0.00 32.58 27.60 2r8r s HIS 92 CO 0.27 -3.16 0.51 0.99 -0.65 0.00 0.00 174.74 172.70 2r8r s THR 93 N 0.09 5.13 0.62 0.89 2.01 -1.26 -0.82 115.64 122.30 2r8r s THR 93 Ca 0.62 0.97 -0.14 0.00 0.31 0.00 0.00 61.69 63.45 2r8r s THR 93 Cb -0.45 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2r8r s THR 93 CO 0.44 0.23 1.06 0.20 -0.69 0.00 0.00 174.62 175.86 2r8r s ASN 94 N 0.94 5.70 0.41 3.53 0.01 0.13 -4.90 114.94 120.76 2r8r s ASN 94 Ca 0.25 1.76 -0.24 0.00 -0.71 0.00 0.00 52.86 53.92 2r8r s ASN 94 Cb -0.15 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 38.87 2r8r s ASN 94 CO 0.10 -1.22 0.92 0.00 -1.51 0.00 0.00 177.10 175.39 2r8r n ALA 95 N -2.30 -0.22 -1.62 0.60 0.00 -1.26 -4.89 120.51 110.81 2r8r n ALA 95 Ca 0.08 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 2r8r n ALA 95 Cb 0.53 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.98 2r8r n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2r8r n PRO 96 N 0.28 1.45 0.00 0.00 -0.02 -1.26 -2.34 135.00 133.11 2r8r n PRO 96 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2r8r n PRO 96 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2r8r n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r8r n GLY 97 N 1.12 0.98 3.77 -1.23 0.00 -1.26 -5.06 105.19 103.51 2r8r n GLY 97 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2r8r n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r8r s SER 98 N -2.19 5.89 0.29 1.61 0.01 -0.99 -4.93 113.70 113.40 2r8r s SER 98 Ca 0.00 2.39 0.04 0.00 1.31 0.00 0.00 55.95 59.69 2r8r s SER 98 Cb 0.00 -2.61 0.66 0.00 0.21 0.00 0.00 66.02 64.29 2r8r s SER 98 CO 0.00 -1.12 1.80 -0.09 0.41 0.00 0.00 173.24 174.24 2r8r h ARG 99 N 1.79 0.83 -6.48 12.44 2.43 -1.97 -3.41 114.38 120.02 2r8r h ARG 99 Ca -0.50 -0.05 -0.68 0.00 -0.81 0.00 0.00 59.98 57.94 2r8r h ARG 99 Cb 1.26 -0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 30.41 2r8r h ARG 99 CO 0.59 0.55 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.81 2r8r s HIS 100 N -5.90 2.64 0.23 2.20 3.76 -1.26 -5.03 115.29 111.94 2r8r s HIS 100 Ca -0.12 -0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2r8r s HIS 100 Cb 0.24 -1.52 0.25 0.00 1.11 0.00 0.00 32.58 32.66 2r8r s HIS 100 CO 0.80 0.26 1.89 1.15 -0.85 0.00 0.00 174.74 178.00 2r8r h THR 101 N 3.96 1.18 -4.52 1.30 2.02 -1.93 -3.43 112.91 111.49 2r8r h THR 101 Ca -0.48 -0.40 -0.67 0.00 0.77 0.00 0.00 66.41 65.64 2r8r h THR 101 Cb 1.16 -0.08 -0.30 0.00 -1.74 0.00 0.00 68.15 67.19 2r8r h THR 101 CO 0.49 0.21 -0.88 -0.54 0.37 0.00 0.00 175.52 175.18 2r8r s LYS 102 N -6.11 1.97 0.41 6.66 -0.14 -1.26 0.19 119.74 121.46 2r8r s LYS 102 Ca -0.13 -0.86 0.10 0.00 -1.36 0.00 0.00 55.97 53.72 2r8r s LYS 102 Cb 0.17 -1.90 0.91 0.00 -1.68 0.00 0.00 37.83 35.34 2r8r s LYS 102 CO 0.80 0.51 1.98 -0.09 -0.76 0.00 0.00 175.35 177.79 2r8r h ARG 103 N 5.56 0.53 -0.03 1.68 2.43 -1.25 -1.01 114.38 122.28 2r8r h ARG 103 Ca -0.41 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2r8r h ARG 103 Cb 1.13 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2r8r h ARG 103 CO 0.47 0.35 -0.05 0.11 -1.51 0.00 0.00 179.97 179.35 2r8r h TRP 104 N 0.54 0.04 -0.21 2.20 5.08 -1.77 -0.77 115.95 121.06 2r8r h TRP 104 Ca 0.28 -0.00 -0.17 0.00 1.08 0.00 0.00 58.89 60.08 2r8r h TRP 104 Cb 0.38 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.52 2r8r h TRP 104 CO -0.00 0.09 -0.55 1.96 -1.28 0.00 0.00 178.44 178.66 2r8r h GLN 105 N 0.04 0.64 -0.13 0.12 4.20 -1.54 -1.45 115.11 116.98 2r8r h GLN 105 Ca 0.01 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.35 2r8r h GLN 105 Cb 0.11 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2r8r h GLN 105 CO 0.01 1.02 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.71 2r8r h ASP 106 N 0.49 -0.12 -0.59 1.46 3.32 -1.10 -2.50 116.42 117.38 2r8r h ASP 106 Ca 0.01 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.18 2r8r h ASP 106 Cb 1.11 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 2r8r h ASP 106 CO 0.11 -0.04 0.24 0.40 -1.72 0.00 0.00 179.24 178.23 2r8r h ILE 107 N -0.00 0.82 -0.94 0.35 2.04 -1.04 -1.12 117.51 117.63 2r8r h ILE 107 Ca 0.06 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2r8r h ILE 107 Cb 0.09 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 2r8r h ILE 107 CO -0.13 0.08 0.60 1.56 0.00 0.00 0.00 178.15 180.26 2r8r h GLN 108 N 0.44 0.78 -0.38 2.37 1.08 -0.92 -0.29 115.11 118.19 2r8r h GLN 108 Ca 0.29 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 2r8r h GLN 108 Cb 0.32 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2r8r h GLN 108 CO -0.27 0.52 -0.25 1.49 -0.95 0.00 0.00 178.83 179.37 2r8r h GLU 109 N 0.81 0.77 -0.31 1.46 4.81 -0.80 -0.39 114.58 120.92 2r8r h GLU 109 Ca 0.47 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2r8r h GLU 109 Cb 0.65 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2r8r h GLU 109 CO -0.24 0.94 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.86 2r8r h LEU 110 N 0.67 0.59 -0.90 1.64 3.38 -0.55 -2.79 115.31 117.34 2r8r h LEU 110 Ca 0.09 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2r8r h LEU 110 Cb 0.77 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2r8r h LEU 110 CO 0.06 0.80 0.57 -0.07 0.09 0.00 0.00 178.44 179.89 2r8r h LEU 111 N 0.37 1.06 -1.65 1.67 3.38 -0.88 -1.72 115.31 117.53 2r8r h LEU 111 Ca 0.08 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2r8r h LEU 111 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2r8r h LEU 111 CO 0.03 0.79 0.28 0.00 0.09 0.00 0.00 178.44 179.63 2r8r h ALA 112 N 1.31 1.82 -0.10 1.53 0.00 -0.99 0.34 119.26 123.18 2r8r h ALA 112 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2r8r h ALA 112 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2r8r h ALA 112 CO -0.07 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2r8r n ALA 113 N -2.49 2.55 -0.55 0.00 0.00 -0.80 -4.87 120.51 114.35 2r8r n ALA 113 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2r8r n ALA 113 Cb 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2r8r n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r8r n GLY 114 N 0.99 0.74 3.70 0.00 0.00 -0.58 -4.96 105.19 105.08 2r8r n GLY 114 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2r8r n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8r s ILE 115 N -2.34 5.15 0.37 -0.61 1.01 -0.72 -4.36 121.20 119.71 2r8r s ILE 115 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 2r8r s ILE 115 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 2r8r s ILE 115 CO 0.00 0.27 0.98 -1.81 0.00 0.00 0.00 174.94 174.39 2r8r s ASP 116 N 0.80 7.05 -0.04 3.58 1.01 -0.55 -3.55 116.67 124.98 2r8r s ASP 116 Ca 0.26 1.88 0.02 0.00 0.71 0.00 0.00 52.55 55.42 2r8r s ASP 116 Cb -0.15 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.21 2r8r s ASP 116 CO 0.10 -0.28 -0.09 -0.69 0.21 0.00 0.00 175.17 174.42 2r8r s VAL 117 N -1.75 0.84 -0.09 -1.27 1.01 -0.02 -1.01 120.40 118.11 2r8r s VAL 117 Ca 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2r8r s VAL 117 Cb -0.18 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2r8r s VAL 117 CO 0.23 0.28 0.01 -0.31 0.00 0.00 0.00 175.10 175.30 2r8r s TYR 118 N 0.46 3.17 0.18 5.22 1.51 -0.64 -1.00 117.35 126.25 2r8r s TYR 118 Ca -0.08 0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.10 2r8r s TYR 118 Cb -0.12 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2r8r s TYR 118 CO 0.01 0.44 0.21 -0.08 -1.11 0.00 0.00 175.55 175.03 2r8r s THR 119 N -0.77 0.05 0.05 -0.71 -1.32 -0.24 -0.09 115.64 112.60 2r8r s THR 119 Ca 0.12 -1.68 0.05 0.00 -1.21 0.00 0.00 61.69 58.97 2r8r s THR 119 Cb -0.12 -2.10 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 2r8r s THR 119 CO 0.02 -0.23 -0.14 0.42 -2.21 0.00 0.00 174.62 172.48 2r8r s THR 120 N -4.04 1.09 -0.21 5.08 -4.23 -1.23 -0.53 115.64 111.58 2r8r s THR 120 Ca 0.25 -1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 2r8r s THR 120 Cb 0.05 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 72.93 2r8r s THR 120 CO 0.05 -0.07 0.53 0.54 -0.54 0.00 0.00 174.62 175.13 2r8r s VAL 121 N -0.97 -0.01 0.26 2.29 0.11 -0.93 -0.93 120.40 120.22 2r8r s VAL 121 Ca 0.00 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.80 2r8r s VAL 121 Cb -0.08 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2r8r s VAL 121 CO 0.01 0.01 0.92 0.20 -3.33 0.00 0.00 175.10 172.92 2r8r s ASN 122 N 0.81 7.49 0.56 3.54 0.02 -1.26 -1.34 114.94 124.76 2r8r s ASN 122 Ca -0.04 1.86 0.25 0.00 -1.02 0.00 0.00 52.86 53.91 2r8r s ASN 122 Cb -0.05 -2.58 1.59 0.00 0.02 0.00 0.00 41.25 40.23 2r8r s ASN 122 CO -0.06 0.07 2.20 1.62 0.02 0.00 0.00 177.10 180.95 2r8r h VAL 123 N 2.95 0.70 0.00 1.60 3.04 -1.14 -2.96 116.25 120.44 2r8r h VAL 123 Ca -0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2r8r h VAL 123 Cb 1.20 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2r8r h VAL 123 CO 0.67 0.02 0.13 0.06 -1.01 0.00 0.00 177.57 177.43 2r8r h GLN 124 N 0.00 0.00 0.00 4.17 3.07 -1.85 -2.64 115.11 117.86 2r8r h GLN 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2r8r h GLN 124 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2r8r h GLN 124 CO 0.00 0.00 -0.61 0.45 0.09 0.00 0.00 178.83 178.77 2r8r h HIS 125 N 0.00 0.00 -2.43 0.06 3.86 -1.79 -3.42 115.15 111.42 2r8r h HIS 125 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2r8r h HIS 125 Cb 0.25 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.76 2r8r h HIS 125 CO 0.00 0.00 1.05 1.28 0.86 0.00 0.00 177.93 181.12 2r8r n LEU 126 N -2.20 3.83 -0.21 2.43 4.32 -1.00 -0.40 117.00 123.77 2r8r n LEU 126 Ca 0.03 1.01 -0.02 0.00 -0.02 0.00 0.00 56.01 57.01 2r8r n LEU 126 Cb 0.45 -1.51 0.05 0.00 -1.62 0.00 0.00 43.42 40.79 2r8r n LEU 126 CO 0.36 0.08 0.70 -0.08 -1.22 0.00 0.00 177.39 177.23 2r8r h GLU 127 N 8.00 -0.06 0.00 3.23 4.81 -1.17 -0.93 114.58 128.46 2r8r h GLU 127 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2r8r h GLU 127 Cb 1.23 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2r8r h GLU 127 CO 0.94 -0.04 -0.03 0.66 -0.73 0.00 0.00 179.01 179.82 2r8r h SER 128 N -0.06 0.00 -0.03 1.04 4.64 -1.90 -1.91 113.55 115.33 2r8r h SER 128 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2r8r h SER 128 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2r8r h SER 128 CO -0.68 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 175.49 2r8r n LEU 129 N -3.60 2.26 0.02 5.97 4.77 -0.37 -4.68 117.00 121.37 2r8r n LEU 129 Ca -0.03 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.09 2r8r n LEU 129 Cb 0.12 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2r8r n LEU 129 CO 0.26 0.38 0.77 -1.13 -1.33 0.00 0.00 177.39 176.34 2r8r h ASN 130 N 3.53 -0.43 -0.32 -1.43 -0.73 -1.20 -1.11 115.58 113.88 2r8r h ASN 130 Ca 0.00 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.16 2r8r h ASN 130 Cb 0.75 0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.53 2r8r h ASN 130 CO 0.00 -0.19 -0.14 0.44 -0.37 0.00 0.00 177.43 177.17 2r8r h ASP 131 N -0.20 0.68 -0.42 1.15 3.32 -1.83 -1.98 116.42 117.13 2r8r h ASP 131 Ca 0.07 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 56.81 2r8r h ASP 131 Cb 0.30 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 2r8r h ASP 131 CO -0.19 0.92 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.61 2r8r h GLN 132 N 0.43 0.07 -0.67 3.56 4.15 -1.81 -0.28 115.11 120.55 2r8r h GLN 132 Ca 0.07 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2r8r h GLN 132 Cb 0.66 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 2r8r h GLN 132 CO 0.04 0.05 0.40 0.28 -1.93 0.00 0.00 178.83 177.67 2r8r h VAL 133 N 0.07 1.20 -0.70 2.39 2.07 -1.14 -1.34 116.25 118.81 2r8r h VAL 133 Ca 0.21 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2r8r h VAL 133 Cb 0.31 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2r8r h VAL 133 CO -0.38 0.21 0.18 -0.09 0.02 0.00 0.00 177.57 177.51 2r8r h ARG 134 N 0.92 1.10 -0.26 1.57 2.43 -0.96 -0.46 114.38 118.71 2r8r h ARG 134 Ca 0.24 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 2r8r h ARG 134 Cb -0.01 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2r8r h ARG 134 CO -0.04 0.97 -0.33 0.78 -1.51 0.00 0.00 179.97 179.83 2r8r h GLY 135 N 1.08 0.61 0.38 2.80 0.00 -0.70 0.63 103.07 107.88 2r8r h GLY 135 Ca 0.22 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2r8r h GLY 135 CO 0.00 0.51 -0.05 -2.22 0.00 0.00 0.00 176.54 174.78 2r8r h ILE 136 N 0.48 1.08 0.00 2.60 2.04 -1.20 -3.40 117.51 119.12 2r8r h ILE 136 Ca 0.05 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2r8r h ILE 136 Cb 0.81 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2r8r h ILE 136 CO 0.07 0.27 -1.75 0.35 0.00 0.00 0.00 178.15 177.09 2r8r n THR 137 N -4.88 0.14 -0.86 -0.27 -2.24 -0.19 -4.97 114.28 101.01 2r8r n THR 137 Ca -0.08 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2r8r n THR 137 Cb 0.28 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2r8r n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r8r n GLY 138 N 1.25 0.62 3.79 3.38 0.00 0.22 -4.65 105.19 109.80 2r8r n GLY 138 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2r8r n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r8r s VAL 139 N -2.81 5.27 -0.21 1.61 1.01 -1.26 -5.00 120.40 119.01 2r8r s VAL 139 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 2r8r s VAL 139 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2r8r s VAL 139 CO 0.00 0.56 0.71 -1.58 0.00 0.00 0.00 175.10 174.79 2r8r s GLN 140 N -0.54 4.20 -0.32 2.72 -0.44 -1.26 -3.84 119.66 120.19 2r8r s GLN 140 Ca 0.12 0.74 -0.23 0.00 -2.50 0.00 0.00 55.36 53.49 2r8r s GLN 140 Cb -0.12 -3.60 0.00 0.00 -1.64 0.00 0.00 33.01 27.65 2r8r s GLN 140 CO 0.02 -0.34 0.79 0.08 0.50 0.00 0.00 175.29 176.34 2r8r s VAL 141 N 2.24 4.78 -0.14 1.34 1.01 -1.26 -4.92 120.40 123.45 2r8r s VAL 141 Ca 0.31 1.13 0.19 0.00 0.00 0.00 0.00 61.98 63.61 2r8r s VAL 141 Cb -0.16 -4.16 -0.28 0.00 0.00 0.00 0.00 36.38 31.79 2r8r s VAL 141 CO 0.10 -0.29 0.24 0.54 0.00 0.00 0.00 175.10 175.69 2r8r n ARG 142 N 6.25 0.68 -3.35 2.72 1.74 -1.26 -4.77 116.66 118.67 2r8r n ARG 142 Ca 0.04 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 2r8r n ARG 142 Cb 0.48 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 2r8r n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2r8r s GLU 143 N -2.86 3.15 0.35 5.56 2.02 -1.26 -5.06 118.70 120.61 2r8r s GLU 143 Ca -0.09 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.25 2r8r s GLU 143 Cb 0.09 -3.94 -0.06 0.00 0.10 0.00 0.00 34.13 30.31 2r8r s GLU 143 CO 0.86 -0.79 -0.05 0.95 0.02 0.00 0.00 175.26 176.25 2r8r s THR 144 N 2.06 2.29 -0.10 3.63 -4.23 -1.26 -4.69 115.64 113.35 2r8r s THR 144 Ca 0.11 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2r8r s THR 144 Cb -0.17 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.95 2r8r s THR 144 CO 0.13 -0.17 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.69 2r8r s LEU 145 N -3.65 1.63 0.24 4.79 2.96 0.46 -4.83 118.68 120.28 2r8r s LEU 145 Ca 0.34 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 2r8r s LEU 145 Cb 0.03 -0.99 -0.11 0.00 0.50 0.00 0.00 46.19 45.63 2r8r s LEU 145 CO 0.17 0.00 1.53 -2.84 -1.32 0.00 0.00 176.35 173.90 2r8r s PRO 146 N 1.01 4.20 0.38 0.98 0.02 -1.26 -0.58 135.00 139.76 2r8r s PRO 146 Ca -0.07 2.42 0.10 0.00 0.02 0.00 0.00 61.00 63.47 2r8r s PRO 146 Cb -0.15 -3.09 0.88 0.00 0.02 0.00 0.00 34.50 32.16 2r8r s PRO 146 CO -0.01 -0.54 1.92 -0.44 -0.33 0.00 0.00 177.00 177.60 2r8r h ASP 147 N 5.43 0.55 -0.85 2.53 3.45 -1.95 -1.65 116.42 123.94 2r8r h ASP 147 Ca -0.45 0.02 0.21 0.00 0.43 0.00 0.00 57.03 57.23 2r8r h ASP 147 Cb 1.21 -0.09 -0.13 0.00 -0.56 0.00 0.00 39.33 39.77 2r8r h ASP 147 CO 0.82 0.31 0.29 -0.25 -1.57 0.00 0.00 179.24 178.85 2r8r h TRP 148 N 0.61 0.47 -0.84 4.55 2.91 -2.01 -0.95 115.95 120.69 2r8r h TRP 148 Ca 0.37 0.04 0.13 0.00 1.13 0.00 0.00 58.89 60.56 2r8r h TRP 148 Cb 0.59 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.11 2r8r h TRP 148 CO -0.00 -0.10 0.55 0.28 -1.03 0.00 0.00 178.44 178.13 2r8r h VAL 149 N 0.31 0.87 0.00 2.65 2.07 -1.68 -1.15 116.25 119.32 2r8r h VAL 149 Ca 0.52 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.81 2r8r h VAL 149 Cb 0.98 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2r8r h VAL 149 CO -0.56 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.08 2r8r h LEU 150 N 0.67 0.00 -0.86 2.57 3.38 -1.31 -3.36 115.31 116.40 2r8r h LEU 150 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 2r8r h LEU 150 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2r8r h LEU 150 CO -0.17 0.00 -0.24 0.06 0.09 0.00 0.00 178.44 178.18 2r8r h GLN 151 N 0.00 0.57 -0.00 1.13 -0.00 -1.05 -1.83 115.11 113.93 2r8r h GLN 151 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2r8r h GLN 151 Cb 0.72 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 2r8r h GLN 151 CO 0.00 0.77 -0.23 -0.85 -0.00 0.00 0.00 178.83 178.52 2r8r n GLU 152 N -4.12 0.51 -1.52 0.06 0.28 -1.25 -4.91 120.64 109.69 2r8r n GLU 152 Ca -0.00 -0.24 -0.54 0.00 -0.16 0.00 0.00 57.16 56.23 2r8r n GLU 152 Cb 0.41 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.73 2r8r n GLU 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2r8r n ALA 153 N -1.04 -2.42 -2.63 -1.84 0.00 -0.69 -4.76 120.51 107.13 2r8r n ALA 153 Ca 0.11 0.53 -0.39 0.00 0.00 0.00 0.00 53.44 53.69 2r8r n ALA 153 Cb 0.32 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 17.81 2r8r n ALA 153 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2r8r s PHE 154 N -0.13 3.21 -0.77 0.00 5.36 0.24 -4.64 117.98 121.24 2r8r s PHE 154 Ca 0.81 -0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.63 2r8r s PHE 154 Cb -1.06 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 2r8r s PHE 154 CO 0.54 -0.28 0.67 -0.25 -1.46 0.00 0.00 175.22 174.43 2r8r n ASP 155 N 5.06 -3.72 -4.58 6.13 9.92 -1.26 -3.73 116.55 124.37 2r8r n ASP 155 Ca -0.14 -0.34 -0.49 0.00 -0.53 0.00 0.00 54.79 53.30 2r8r n ASP 155 Cb 0.51 -3.21 -0.04 0.00 -0.64 0.00 0.00 41.12 37.74 2r8r n ASP 155 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2r8r n LEU 156 N -3.06 1.62 -4.00 0.64 0.00 -1.26 -4.45 117.00 106.47 2r8r n LEU 156 Ca -0.06 1.14 -0.23 0.00 0.00 0.00 0.00 56.01 56.87 2r8r n LEU 156 Cb 0.56 -1.22 -0.16 0.00 0.00 0.00 0.00 43.42 42.59 2r8r n LEU 156 CO 0.38 -1.23 -0.45 0.54 0.00 0.00 0.00 177.39 176.63 2r8r s VAL 157 N -0.09 0.95 -0.14 1.96 0.11 -0.24 -4.97 120.40 117.98 2r8r s VAL 157 Ca 0.75 -0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 2r8r s VAL 157 Cb -0.86 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 2r8r s VAL 157 CO 0.51 0.30 0.67 -0.22 -3.33 0.00 0.00 175.10 173.04 2r8r s LEU 158 N 0.50 4.23 -0.24 2.54 2.96 -1.26 -0.17 118.68 127.23 2r8r s LEU 158 Ca -0.09 1.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.75 2r8r s LEU 158 Cb -0.13 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 2r8r s LEU 158 CO 0.02 -0.20 0.09 -0.63 -1.32 0.00 0.00 176.35 174.30 2r8r s ILE 159 N 1.39 4.53 0.06 6.68 -1.09 0.20 -4.94 121.20 128.04 2r8r s ILE 159 Ca 0.33 -0.10 0.10 0.00 -2.23 0.00 0.00 60.65 58.75 2r8r s ILE 159 Cb -0.17 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 2r8r s ILE 159 CO 0.13 0.34 -0.26 -0.62 -1.23 0.00 0.00 174.94 173.30 2r8r s ASP 160 N 1.46 3.16 -0.12 3.58 2.15 -1.26 -4.42 116.67 121.21 2r8r s ASP 160 Ca 0.06 -0.62 -0.10 0.00 0.43 0.00 0.00 52.55 52.32 2r8r s ASP 160 Cb -0.15 -0.27 0.03 0.00 -0.30 0.00 0.00 42.92 42.23 2r8r s ASP 160 CO 0.05 0.24 0.31 -0.22 -0.17 0.00 0.00 175.17 175.37 2r8r s LEU 161 N -1.39 0.70 0.31 -1.34 2.96 -1.26 -4.98 118.68 113.67 2r8r s LEU 161 Ca 0.12 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.36 2r8r s LEU 161 Cb -0.10 1.04 -0.11 0.00 0.50 0.00 0.00 46.19 47.52 2r8r s LEU 161 CO 0.03 -0.12 1.59 -2.84 -1.32 0.00 0.00 176.35 173.69 2r8r s PRO 162 N 0.41 4.11 0.26 0.98 0.02 -1.26 -4.85 135.00 134.67 2r8r s PRO 162 Ca -0.02 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 63.53 2r8r s PRO 162 Cb -0.04 -3.01 0.47 0.00 0.02 0.00 0.00 34.50 31.94 2r8r s PRO 162 CO -0.02 -0.64 1.59 -1.35 -0.33 0.00 0.00 177.00 176.25 2r8r h PRO 163 N 4.58 0.02 -0.67 5.54 0.11 -1.94 0.36 132.00 140.00 2r8r h PRO 163 Ca -0.48 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2r8r h PRO 163 Cb 1.22 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2r8r h PRO 163 CO 0.77 0.01 0.36 -0.09 -0.21 0.00 0.00 178.00 178.85 2r8r h ARG 164 N 0.02 0.64 -0.41 1.05 2.43 -1.94 0.21 114.38 116.38 2r8r h ARG 164 Ca 0.45 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.45 2r8r h ARG 164 Cb 0.77 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2r8r h ARG 164 CO -0.87 0.43 -0.26 1.49 -1.51 0.00 0.00 179.97 179.25 2r8r h GLU 165 N 0.66 0.91 -0.86 0.20 4.81 -1.51 -2.70 114.58 116.09 2r8r h GLU 165 Ca 0.30 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2r8r h GLU 165 Cb 0.21 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2r8r h GLU 165 CO -0.19 1.08 0.50 1.25 -0.73 0.00 0.00 179.01 180.91 2r8r h LEU 166 N 0.73 1.04 -1.12 1.64 5.85 0.15 -2.15 115.31 121.46 2r8r h LEU 166 Ca 0.09 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2r8r h LEU 166 Cb 0.84 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2r8r h LEU 166 CO 0.07 0.82 0.34 -0.07 -0.34 0.00 0.00 178.44 179.26 2r8r h LEU 167 N 1.19 0.86 -0.52 2.25 3.38 -0.55 -1.59 115.31 120.32 2r8r h LEU 167 Ca 0.31 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2r8r h LEU 167 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2r8r h LEU 167 CO -0.05 0.72 0.05 -0.33 0.09 0.00 0.00 178.44 178.92 2r8r h GLU 168 N 0.95 0.89 -0.71 1.13 5.08 -1.10 -1.54 114.58 119.28 2r8r h GLU 168 Ca 0.24 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2r8r h GLU 168 Cb 0.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2r8r h GLU 168 CO -0.03 0.89 0.44 0.00 -1.00 0.00 0.00 179.01 179.30 2r8r h ARG 169 N 0.77 0.96 0.21 2.33 3.08 -1.07 -0.15 114.38 120.51 2r8r h ARG 169 Ca 0.16 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2r8r h ARG 169 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2r8r h ARG 169 CO 0.02 0.68 -0.16 1.25 -1.07 0.00 0.00 179.97 180.68 2r8r h LEU 170 N 0.97 -0.42 -1.47 3.04 5.85 -1.21 0.25 115.31 122.32 2r8r h LEU 170 Ca 0.26 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.15 2r8r h LEU 170 Cb -0.05 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2r8r h LEU 170 CO -0.05 -0.26 0.52 -0.09 -0.34 0.00 0.00 178.44 178.22 2r8r h ARG 171 N -0.38 0.52 -0.09 1.25 2.43 -1.01 -2.53 114.38 114.57 2r8r h ARG 171 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2r8r h ARG 171 Cb 0.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2r8r h ARG 171 CO -0.01 0.35 0.00 -0.25 -1.51 0.00 0.00 179.97 178.54 2r8r n ASP 172 N -4.50 1.19 -0.02 -3.80 8.00 -0.09 -4.92 116.55 112.41 2r8r n ASP 172 Ca 0.15 -1.55 -0.00 0.00 0.71 0.00 0.00 54.79 54.10 2r8r n ASP 172 Cb 0.47 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2r8r n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r8r n GLY 173 N 1.07 0.39 0.35 0.44 0.00 -0.95 -4.94 105.19 101.54 2r8r n GLY 173 Ca 0.17 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 45.24 2r8r n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r8r n LYS 174 N -2.56 1.46 -3.69 1.61 5.02 0.04 -4.79 118.16 115.25 2r8r n LYS 174 Ca -0.00 -0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 55.16 2r8r n LYS 174 Cb 0.12 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 2r8r n LYS 174 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2r8r s VAL 175 N -2.20 3.80 -0.07 -0.18 1.01 -1.23 -4.94 120.40 116.58 2r8r s VAL 175 Ca 0.14 -1.56 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 2r8r s VAL 175 Cb 0.15 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2r8r s VAL 175 CO 0.51 -0.49 0.71 -0.47 0.00 0.00 0.00 175.10 175.35 2r8r s TYR 176 N 1.33 3.57 0.00 5.22 5.04 -1.26 -4.92 117.35 126.32 2r8r s TYR 176 Ca 0.03 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 2r8r s TYR 176 Cb -0.22 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.27 2r8r s TYR 176 CO -0.00 0.07 0.00 1.33 -1.34 0.00 0.00 175.55 175.61 2r8r n VAL 177 N 3.85 0.00 0.00 3.14 0.24 -1.26 -4.92 118.33 119.38 2r8r n VAL 177 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2r8r n VAL 177 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2r8r n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r8r n ALA 183 N -1.91 0.00 0.04 2.33 0.00 -1.26 -5.20 120.51 114.51 2r8r n ALA 183 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2r8r n ALA 183 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2r8r n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r8r h ALA 184 N 0.00 -0.14 0.00 0.00 0.00 -2.02 -3.14 119.26 113.96 2r8r h ALA 184 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2r8r h ALA 184 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2r8r h ALA 184 CO 0.00 -0.33 -0.10 -0.84 0.00 0.00 0.00 179.25 177.98 2r8r h ILE 185 N -0.62 0.32 -0.61 0.00 -0.00 -2.01 0.48 117.51 115.07 2r8r h ILE 185 Ca -0.01 -0.64 0.00 0.00 -0.00 0.00 0.00 64.86 64.21 2r8r h ILE 185 Cb 0.50 1.49 -0.03 0.00 -0.00 0.00 0.00 36.82 38.77 2r8r h ILE 185 CO 0.02 0.10 0.40 0.44 -0.00 0.00 0.00 178.15 179.11 2r8r h ASP 186 N 0.00 0.71 0.05 2.16 5.19 -1.91 -1.40 116.42 121.21 2r8r h ASP 186 Ca -0.00 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2r8r h ASP 186 Cb 0.48 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2r8r h ASP 186 CO 0.01 0.52 -0.17 0.00 -3.12 0.00 0.00 179.24 176.48 2r8r h ALA 187 N 1.22 1.43 0.05 3.45 0.00 -0.85 -3.30 119.26 121.25 2r8r h ALA 187 Ca 0.22 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2r8r h ALA 187 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2r8r h ALA 187 CO -0.05 0.40 -1.37 0.35 0.00 0.00 0.00 179.25 178.58 2r8r h PHE 188 N 0.24 0.19 -1.03 0.00 3.57 -1.39 -3.42 116.94 115.09 2r8r h PHE 188 Ca 0.04 -0.14 -0.74 0.00 3.53 0.00 0.00 57.97 60.67 2r8r h PHE 188 Cb 0.45 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 39.06 2r8r h PHE 188 CO 0.01 1.54 2.29 1.19 -2.23 0.00 0.00 178.31 181.10 2r8r n PHE 189 N -4.15 3.44 -4.44 0.41 3.72 -0.54 -4.21 117.46 111.70 2r8r n PHE 189 Ca -0.29 -2.91 -0.23 0.00 -0.05 0.00 0.00 57.45 53.97 2r8r n PHE 189 Cb 0.79 -2.20 -0.10 0.00 -0.94 0.00 0.00 39.48 37.03 2r8r n PHE 189 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2r8r s THR 190 N 1.57 2.33 0.22 4.37 -4.23 -1.26 -4.91 115.64 113.73 2r8r s THR 190 Ca 0.43 -2.37 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 2r8r s THR 190 Cb 0.09 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.86 2r8r s THR 190 CO -0.02 -0.44 1.89 -0.61 -0.54 0.00 0.00 174.62 174.91 2r8r h GLN 191 N 2.34 1.06 -0.23 3.99 5.75 -1.93 0.13 115.11 126.22 2r8r h GLN 191 Ca -0.40 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 57.89 2r8r h GLN 191 Cb 1.25 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.56 2r8r h GLN 191 CO 0.60 0.70 -0.43 1.79 -2.65 0.00 0.00 178.83 178.84 2r8r h THR 192 N 1.09 1.31 -0.31 2.39 1.35 -1.96 -1.33 112.91 115.44 2r8r h THR 192 Ca 0.29 -1.64 -0.10 0.00 -0.55 0.00 0.00 66.41 64.41 2r8r h THR 192 Cb -0.13 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2r8r h THR 192 CO -0.06 0.52 -0.21 0.78 -0.25 0.00 0.00 175.52 176.30 2r8r h ASN 193 N 0.41 0.72 -0.20 5.36 2.35 -1.74 -1.70 115.58 120.78 2r8r h ASN 193 Ca 0.01 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 2r8r h ASN 193 Cb 1.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2r8r h ASN 193 CO 0.10 1.00 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.73 2r8r h LEU 194 N 0.45 0.53 -0.37 1.61 3.38 -0.81 -1.48 115.31 118.60 2r8r h LEU 194 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2r8r h LEU 194 Cb 0.75 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2r8r h LEU 194 CO 0.06 0.65 0.19 0.74 0.09 0.00 0.00 178.44 180.17 2r8r h THR 195 N 0.52 1.16 -0.72 0.22 2.02 -1.12 -1.06 112.91 113.92 2r8r h THR 195 Ca 0.10 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 2r8r h THR 195 Cb 0.45 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2r8r h THR 195 CO 0.02 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.35 2r8r h ALA 196 N 1.05 1.12 -0.10 6.16 0.00 -0.81 -2.03 119.26 124.66 2r8r h ALA 196 Ca 0.13 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2r8r h ALA 196 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2r8r h ALA 196 CO -0.02 0.62 -0.57 -0.07 0.00 0.00 0.00 179.25 179.21 2r8r h LEU 197 N 1.04 0.35 -0.82 0.00 3.38 -1.19 -2.88 115.31 115.20 2r8r h LEU 197 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2r8r h LEU 197 Cb 0.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2r8r h LEU 197 CO -0.02 0.84 0.47 -0.09 0.09 0.00 0.00 178.44 179.73 2r8r h ARG 198 N 0.24 1.13 -1.10 1.13 2.43 -0.83 -0.98 114.38 116.41 2r8r h ARG 198 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2r8r h ARG 198 Cb 1.07 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2r8r h ARG 198 CO 0.09 0.82 0.00 -1.91 -1.51 0.00 0.00 179.97 177.46 2r8r n GLU 199 N -4.42 0.21 -0.63 0.20 2.13 -0.79 -4.67 120.64 112.66 2r8r n GLU 199 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2r8r n GLU 199 Cb 0.08 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2r8r n GLU 199 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2r8r n ALA 201 N 0.68 -0.12 0.00 4.31 0.00 -0.37 -4.60 120.51 120.40 2r8r n ALA 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2r8r n ALA 201 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2r8r n ALA 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2r8r n GLN 203 N -0.51 0.00 -0.04 0.00 6.02 -1.26 -1.31 117.38 120.27 2r8r n GLN 203 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2r8r n GLN 203 Cb 0.06 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.26 2r8r n GLN 203 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2r8r h THR 204 N 0.00 1.22 -0.25 5.09 2.02 -1.96 -0.37 112.91 118.66 2r8r h THR 204 Ca 0.00 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2r8r h THR 204 Cb 0.00 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2r8r h THR 204 CO 0.00 0.21 -0.10 0.00 0.37 0.00 0.00 175.52 176.00 2r8r h ALA 205 N 0.81 0.12 -0.21 6.16 0.00 -1.60 -1.51 119.26 123.02 2r8r h ALA 205 Ca 0.04 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2r8r h ALA 205 Cb 0.29 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2r8r h ALA 205 CO 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 179.25 178.60 2r8r h ALA 206 N 1.17 0.01 -0.00 0.00 0.00 -1.80 -2.98 119.26 115.66 2r8r h ALA 206 Ca 0.13 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2r8r h ALA 206 Cb 0.25 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2r8r h ALA 206 CO -0.29 -0.57 -0.58 0.00 0.00 0.00 0.00 179.25 177.81 2r8r h ALA 207 N 1.00 1.04 0.19 0.00 0.00 -0.57 -2.86 119.26 118.06 2r8r h ALA 207 Ca 0.12 -0.52 -0.28 0.00 0.00 0.00 0.00 54.91 54.23 2r8r h ALA 207 Cb 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.05 2r8r h ALA 207 CO -0.30 0.72 -1.20 0.37 0.00 0.00 0.00 179.25 178.85 2r8r h GLN 208 N 0.01 0.47 -0.49 0.00 -0.00 -1.30 -2.66 115.11 111.14 2r8r h GLN 208 Ca -0.01 -0.76 0.12 0.00 -0.00 0.00 0.00 58.65 58.00 2r8r h GLN 208 Cb 1.02 0.28 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 2r8r h GLN 208 CO 0.08 1.36 0.34 0.28 0.00 0.00 0.00 178.83 180.89 2r8r h VAL 209 N -0.02 0.81 -0.02 2.39 2.07 -1.57 -3.50 116.25 116.41 2r8r h VAL 209 Ca -0.21 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2r8r h VAL 209 Cb 1.94 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2r8r h VAL 209 CO 0.23 0.02 0.00 -0.67 0.02 0.00 0.00 177.57 177.17