#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr3 s GLU 7 N 0.00 3.94 -0.11 4.33 2.02 -1.26 -4.72 118.70 122.90 1xr3 s GLU 7 Ca 0.00 2.47 -0.04 0.00 0.02 0.00 0.00 54.97 57.42 1xr3 s GLU 7 Cb 0.00 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 1xr3 s GLU 7 CO 0.00 -0.63 0.04 0.54 0.02 0.00 0.00 175.26 175.23 1xr3 s VAL 8 N -1.16 4.64 0.12 2.63 0.11 -1.26 -1.50 120.40 123.98 1xr3 s VAL 8 Ca 0.56 -0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.59 1xr3 s VAL 8 Cb -0.45 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1xr3 s VAL 8 CO 0.59 0.59 -0.24 0.00 -3.33 0.00 0.00 175.10 172.71 1xr3 s ALA 9 N -0.72 2.14 -0.20 1.54 0.00 -0.47 -1.58 121.76 122.47 1xr3 s ALA 9 Ca 0.12 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1xr3 s ALA 9 Cb -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1xr3 s ALA 9 CO 0.02 0.45 -0.13 -1.17 0.00 0.00 0.00 175.76 174.93 1xr3 s LEU 10 N -2.07 2.42 -0.23 0.00 2.96 0.48 -0.61 118.68 121.63 1xr3 s LEU 10 Ca 0.11 -0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1xr3 s LEU 10 Cb -0.10 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.26 1xr3 s LEU 10 CO 0.06 -0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.19 1xr3 s VAL 11 N 1.32 2.66 0.16 1.68 1.01 -0.24 -1.10 120.40 125.88 1xr3 s VAL 11 Ca -0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1xr3 s VAL 11 Cb -0.16 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 1xr3 s VAL 11 CO -0.09 0.28 0.76 0.42 0.00 0.00 0.00 175.10 176.47 1xr3 s THR 12 N 1.31 4.40 -1.07 3.92 -4.23 -1.04 -2.26 115.64 116.68 1xr3 s THR 12 Ca 0.01 1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 62.10 1xr3 s THR 12 Cb -0.16 -4.11 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 1xr3 s THR 12 CO -0.06 0.51 0.92 0.61 -0.54 0.00 0.00 174.62 176.05 1xr3 n GLY 13 N 1.55 -1.07 1.49 3.99 0.00 0.19 -1.03 105.19 110.32 1xr3 n GLY 13 Ca -0.06 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1xr3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr3 n ALA 14 N -3.40 4.68 -0.05 4.61 0.00 -1.00 -4.30 120.51 121.04 1xr3 n ALA 14 Ca -0.10 -3.45 0.08 0.00 0.00 0.00 0.00 53.44 49.98 1xr3 n ALA 14 Cb 0.62 -0.63 0.20 0.00 0.00 0.00 0.00 19.45 19.64 1xr3 n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xr3 n THR 15 N -0.96 0.78 -3.42 0.00 -2.24 -1.26 -3.56 114.28 103.62 1xr3 n THR 15 Ca 0.38 -0.89 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1xr3 n THR 15 Cb 0.91 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 1xr3 n THR 15 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xr3 s SER 16 N -1.09 -0.57 0.22 3.42 0.15 -1.26 -4.91 113.70 109.66 1xr3 s SER 16 Ca 0.32 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1xr3 s SER 16 Cb 0.17 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1xr3 s SER 16 CO 0.23 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1xr3 n GLY 17 N -0.35 2.30 0.24 9.45 0.00 -1.26 -2.66 105.19 112.90 1xr3 n GLY 17 Ca -0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1xr3 n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xr3 h ILE 18 N 0.00 0.45 -0.79 -0.61 2.04 -1.92 -2.39 117.51 114.29 1xr3 h ILE 18 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1xr3 h ILE 18 Cb 0.00 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1xr3 h ILE 18 CO 0.00 0.00 0.43 1.23 0.00 0.00 0.00 178.15 179.81 1xr3 h GLY 19 N -0.12 1.22 1.03 5.37 0.00 -1.72 -0.46 103.07 108.40 1xr3 h GLY 19 Ca 0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1xr3 h GLY 19 CO -0.45 0.08 -0.00 -2.00 0.00 0.00 0.00 176.54 174.17 1xr3 h LEU 20 N 0.71 0.92 -0.56 3.11 5.85 -1.26 -1.89 115.31 122.18 1xr3 h LEU 20 Ca 0.39 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1xr3 h LEU 20 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1xr3 h LEU 20 CO -0.27 1.00 0.12 -0.08 -0.34 0.00 0.00 178.44 178.88 1xr3 h GLU 21 N 0.81 0.90 -0.49 1.25 4.57 -0.93 -0.62 114.58 120.07 1xr3 h GLU 21 Ca 0.15 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1xr3 h GLU 21 Cb 0.53 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1xr3 h GLU 21 CO 0.03 0.85 0.26 0.82 -1.18 0.00 0.00 179.01 179.79 1xr3 h ILE 22 N 0.80 1.17 -1.00 2.32 2.04 -0.94 -0.85 117.51 121.05 1xr3 h ILE 22 Ca 0.17 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xr3 h ILE 22 Cb 0.36 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1xr3 h ILE 22 CO 0.00 0.19 0.66 0.00 0.00 0.00 0.00 178.15 179.00 1xr3 h ALA 23 N 1.11 1.33 -0.34 1.87 0.00 -1.00 0.06 119.26 122.29 1xr3 h ALA 23 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xr3 h ALA 23 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1xr3 h ALA 23 CO -0.03 0.55 0.21 0.00 0.00 0.00 0.00 179.25 179.98 1xr3 h ARG 24 N 1.27 0.45 0.45 0.00 3.08 -0.36 -1.35 114.38 117.93 1xr3 h ARG 24 Ca 0.40 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1xr3 h ARG 24 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1xr3 h ARG 24 CO -0.13 0.34 -0.22 -0.09 -1.07 0.00 0.00 179.97 178.81 1xr3 h ARG 25 N 0.44 -0.58 -0.91 0.04 9.65 -0.45 0.45 114.38 123.03 1xr3 h ARG 25 Ca 0.12 0.04 0.14 0.00 -1.10 0.00 0.00 59.98 59.18 1xr3 h ARG 25 Cb -0.00 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.64 1xr3 h ARG 25 CO -0.02 -0.29 0.58 -0.07 2.80 0.00 0.00 179.97 182.97 1xr3 h LEU 26 N -0.83 0.70 -0.92 3.80 3.38 -1.05 0.33 115.31 120.71 1xr3 h LEU 26 Ca -0.06 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1xr3 h LEU 26 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xr3 h LEU 26 CO 0.10 0.36 -0.24 1.23 0.09 0.00 0.00 178.44 179.98 1xr3 h GLY 27 N 0.74 0.56 1.39 0.83 0.00 -1.01 -1.72 103.07 103.85 1xr3 h GLY 27 Ca 0.46 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1xr3 h GLY 27 CO -0.22 0.41 -0.69 1.70 0.00 0.00 0.00 176.54 177.75 1xr3 h LYS 28 N 0.46 0.61 0.00 4.80 3.64 0.18 -2.53 116.57 123.72 1xr3 h LYS 28 Ca 0.07 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1xr3 h LYS 28 Cb 0.66 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1xr3 h LYS 28 CO 0.05 1.08 0.00 0.39 -2.27 0.00 0.00 179.45 178.70 1xr3 n GLU 29 N -3.91 0.15 -0.31 1.90 -0.58 0.78 -4.84 120.64 113.83 1xr3 n GLU 29 Ca -0.05 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1xr3 n GLU 29 Cb 0.69 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1xr3 n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xr3 n GLY 30 N -0.50 0.84 3.95 0.62 0.00 -0.95 -5.07 105.19 104.06 1xr3 n GLY 30 Ca 0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1xr3 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr3 s LEU 31 N 0.00 2.94 -0.47 0.99 1.02 -0.67 -4.71 118.68 117.77 1xr3 s LEU 31 Ca 0.00 0.26 -0.13 0.00 0.02 0.00 0.00 54.13 54.28 1xr3 s LEU 31 Cb 0.00 -2.92 0.09 0.00 0.02 0.00 0.00 46.19 43.38 1xr3 s LEU 31 CO 0.00 -1.55 0.38 -0.13 0.02 0.00 0.00 176.35 175.06 1xr3 s ARG 32 N -5.14 2.80 -0.11 1.70 0.52 -0.56 -4.46 118.95 113.69 1xr3 s ARG 32 Ca 0.60 -1.53 -0.17 0.00 -0.52 0.00 0.00 55.73 54.11 1xr3 s ARG 32 Cb -0.10 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1xr3 s ARG 32 CO 0.43 -1.10 0.44 0.54 0.02 0.00 0.00 175.30 175.64 1xr3 s VAL 33 N 1.53 5.19 -0.21 3.52 0.11 -0.99 -1.37 120.40 128.18 1xr3 s VAL 33 Ca 0.04 0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 59.95 1xr3 s VAL 33 Cb -0.26 -3.78 -0.00 0.00 -1.53 0.00 0.00 36.38 30.81 1xr3 s VAL 33 CO 0.03 0.35 -0.08 0.12 -3.33 0.00 0.00 175.10 172.20 1xr3 s PHE 34 N 0.47 2.91 0.40 1.54 5.36 0.22 -2.38 117.98 126.50 1xr3 s PHE 34 Ca 0.24 -1.07 0.08 0.00 -0.96 0.00 0.00 56.93 55.22 1xr3 s PHE 34 Cb -0.15 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1xr3 s PHE 34 CO 0.10 -0.58 0.30 0.14 -1.46 0.00 0.00 175.22 173.71 1xr3 s VAL 35 N 1.37 2.68 0.10 3.12 -7.23 -0.75 -1.08 120.40 118.60 1xr3 s VAL 35 Ca 0.05 -1.47 -0.15 0.00 -1.81 0.00 0.00 61.98 58.59 1xr3 s VAL 35 Cb -0.14 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.81 1xr3 s VAL 35 CO -0.05 -0.03 0.36 0.00 -0.31 0.00 0.00 175.10 175.06 1xr3 s ALA 37 N -3.44 -1.95 -0.08 0.00 0.00 -1.26 0.56 121.76 115.61 1xr3 s ALA 37 Ca 0.01 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1xr3 s ALA 37 Cb 0.02 0.51 -0.29 0.00 0.00 0.00 0.00 23.12 23.36 1xr3 s ALA 37 CO -0.09 -1.05 0.72 0.00 0.00 0.00 0.00 175.76 175.33 1xr3 h ARG 38 N 2.00 0.27 -6.41 0.00 3.08 -1.95 0.28 114.38 111.65 1xr3 h ARG 38 Ca -0.27 -0.47 -0.54 0.00 0.07 0.00 0.00 59.98 58.77 1xr3 h ARG 38 Cb 1.22 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1xr3 h ARG 38 CO 0.27 1.22 0.79 0.20 -1.07 0.00 0.00 179.97 181.39 1xr3 s GLY 39 N -4.71 1.92 0.19 0.04 0.00 -1.26 -4.68 107.32 98.82 1xr3 s GLY 39 Ca -0.17 0.92 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 1xr3 s GLY 39 CO 0.80 2.44 1.46 -2.09 0.00 0.00 0.00 173.10 175.71 1xr3 h GLU 40 N 7.56 0.40 -0.23 2.90 4.81 -2.00 -2.96 114.58 125.06 1xr3 h GLU 40 Ca -0.39 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.45 1xr3 h GLU 40 Cb 1.19 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xr3 h GLU 40 CO 0.89 0.94 -0.20 0.93 -0.73 0.00 0.00 179.01 180.84 1xr3 h GLU 41 N 0.28 0.55 -0.68 1.92 4.39 -1.99 -2.03 114.58 117.02 1xr3 h GLU 41 Ca -0.02 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1xr3 h GLU 41 Cb 1.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1xr3 h GLU 41 CO 0.12 0.86 0.41 0.78 -1.16 0.00 0.00 179.01 180.02 1xr3 h GLY 42 N 0.25 0.98 0.95 -3.84 0.00 -1.95 0.18 103.07 99.64 1xr3 h GLY 42 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xr3 h GLY 42 CO 0.05 0.39 0.16 -2.00 0.00 0.00 0.00 176.54 175.14 1xr3 h LEU 43 N 0.94 0.41 -0.42 3.11 7.12 -1.42 0.12 115.31 125.17 1xr3 h LEU 43 Ca 0.25 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 1xr3 h LEU 43 Cb -0.04 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 39.96 1xr3 h LEU 43 CO -0.05 0.41 0.17 -0.09 -0.13 0.00 0.00 178.44 178.75 1xr3 h ARG 44 N 0.38 0.63 -0.04 1.25 2.43 -0.53 -1.45 114.38 117.04 1xr3 h ARG 44 Ca 0.11 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xr3 h ARG 44 Cb 0.10 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xr3 h ARG 44 CO -0.02 0.58 0.02 1.15 -1.51 0.00 0.00 179.97 180.20 1xr3 h THR 45 N 0.53 1.12 0.06 0.20 2.02 -0.42 -2.72 112.91 113.70 1xr3 h THR 45 Ca 0.14 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1xr3 h THR 45 Cb 0.19 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1xr3 h THR 45 CO -0.01 0.10 -0.07 0.74 0.37 0.00 0.00 175.52 176.65 1xr3 h THR 46 N -0.07 0.83 -0.98 3.16 2.02 -0.69 -2.53 112.91 114.65 1xr3 h THR 46 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 1xr3 h THR 46 Cb 0.15 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.31 1xr3 h THR 46 CO -0.00 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.44 1xr3 h LEU 47 N -0.16 0.92 0.59 2.58 3.38 -1.26 -0.59 115.31 120.78 1xr3 h LEU 47 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xr3 h LEU 47 Cb 0.16 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xr3 h LEU 47 CO -0.03 0.52 -0.28 0.50 0.09 0.00 0.00 178.44 179.24 1xr3 h LYS 48 N 1.01 -0.76 -0.88 1.13 3.64 -1.19 -0.68 116.57 118.83 1xr3 h LYS 48 Ca 0.47 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.93 1xr3 h LYS 48 Cb 0.41 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1xr3 h LYS 48 CO -0.23 -0.48 0.57 1.05 -2.27 0.00 0.00 179.45 178.10 1xr3 h GLU 49 N -0.88 1.09 -0.19 1.90 4.11 -1.11 0.72 114.58 120.22 1xr3 h GLU 49 Ca -0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1xr3 h GLU 49 Cb 0.64 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1xr3 h GLU 49 CO 0.13 0.72 0.10 -0.07 0.07 0.00 0.00 179.01 179.96 1xr3 h LEU 50 N 1.12 0.24 -0.34 3.06 3.38 -1.03 -2.97 115.31 118.78 1xr3 h LEU 50 Ca 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1xr3 h LEU 50 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xr3 h LEU 50 CO -0.11 0.28 0.11 0.03 0.09 0.00 0.00 178.44 178.84 1xr3 h ARG 51 N 0.19 0.52 -1.87 1.13 3.08 -0.72 -1.91 114.38 114.79 1xr3 h ARG 51 Ca 0.07 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 1xr3 h ARG 51 Cb 0.09 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1xr3 h ARG 51 CO -0.01 0.54 0.09 -0.85 -1.07 0.00 0.00 179.97 178.67 1xr3 n GLU 52 N -4.67 1.77 0.00 0.04 0.28 0.21 -1.40 120.64 116.87 1xr3 n GLU 52 Ca -0.01 -1.18 0.00 0.00 -0.16 0.00 0.00 57.16 55.81 1xr3 n GLU 52 Cb 0.16 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.36 1xr3 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xr3 n ALA 53 N 1.32 0.49 -0.74 -1.84 0.00 -0.97 -4.92 120.51 113.84 1xr3 n ALA 53 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xr3 n ALA 53 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1xr3 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr3 n GLY 54 N 0.00 0.90 3.75 0.00 0.00 -0.50 -5.03 105.19 104.31 1xr3 n GLY 54 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xr3 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr3 s VAL 55 N -3.50 4.31 -0.67 1.61 1.01 -0.76 -4.99 120.40 117.42 1xr3 s VAL 55 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.73 1xr3 s VAL 55 Cb 0.00 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.16 1xr3 s VAL 55 CO 0.00 0.43 1.03 -0.70 0.00 0.00 0.00 175.10 175.86 1xr3 s GLU 56 N -0.69 3.15 0.14 2.72 -6.30 -1.26 -4.04 118.70 112.42 1xr3 s GLU 56 Ca 0.42 -0.66 0.01 0.00 -2.50 0.00 0.00 54.97 52.24 1xr3 s GLU 56 Cb -0.24 -4.20 -0.04 0.00 0.00 0.00 0.00 34.13 29.64 1xr3 s GLU 56 CO 0.30 -1.86 -0.02 0.00 0.02 0.00 0.00 175.26 173.70 1xr3 s ALA 57 N 4.40 1.14 0.38 6.30 0.00 -1.26 -2.34 121.76 130.38 1xr3 s ALA 57 Ca 0.25 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 1xr3 s ALA 57 Cb -0.15 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.44 1xr3 s ALA 57 CO 0.12 -0.30 0.72 0.34 0.00 0.00 0.00 175.76 176.64 1xr3 s ASP 58 N -3.11 0.21 0.00 0.00 3.68 -1.00 -4.96 116.67 111.50 1xr3 s ASP 58 Ca 0.19 -1.23 0.00 0.00 2.13 0.00 0.00 52.55 53.64 1xr3 s ASP 58 Cb 0.06 0.81 0.00 0.00 -1.45 0.00 0.00 42.92 42.34 1xr3 s ASP 58 CO 0.00 -1.61 0.00 0.61 0.13 0.00 0.00 175.17 174.30 1xr3 n GLY 59 N -0.54 1.68 3.19 2.66 0.00 -1.26 -1.82 105.19 109.10 1xr3 n GLY 59 Ca -0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1xr3 n GLY 59 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xr3 s ARG 60 N -2.00 0.55 0.77 1.61 1.70 -1.11 -4.96 118.95 115.51 1xr3 s ARG 60 Ca 0.00 -0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 55.00 1xr3 s ARG 60 Cb 0.00 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1xr3 s ARG 60 CO 0.00 -0.13 1.01 0.25 -1.08 0.00 0.00 175.30 175.35 1xr3 n THR 61 N 1.68 2.29 -3.41 4.99 -2.24 -1.26 -4.09 114.28 112.24 1xr3 n THR 61 Ca -0.20 -0.29 0.02 0.00 -2.27 0.00 0.00 64.05 61.31 1xr3 n THR 61 Cb 0.56 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.64 1xr3 n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xr3 s ASP 63 N 1.77 6.60 0.00 0.00 -1.08 -1.26 -3.84 116.67 118.86 1xr3 s ASP 63 Ca -0.04 0.63 0.06 0.00 -0.52 0.00 0.00 52.55 52.68 1xr3 s ASP 63 Cb -0.03 -2.36 0.31 0.00 -1.46 0.00 0.00 42.92 39.38 1xr3 s ASP 63 CO -0.15 -0.49 1.02 0.55 0.52 0.00 0.00 175.17 176.62 1xr3 n VAL 64 N 5.37 0.82 1.24 1.11 3.14 -1.26 -1.28 118.33 127.46 1xr3 n VAL 64 Ca 0.01 0.21 0.13 0.00 -2.96 0.00 0.00 64.34 61.72 1xr3 n VAL 64 Cb 0.49 -1.11 0.36 0.00 -1.06 0.00 0.00 33.84 32.52 1xr3 n VAL 64 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xr3 n ARG 65 N -1.26 1.93 -3.98 1.45 1.74 -1.26 -4.36 116.66 110.93 1xr3 n ARG 65 Ca 0.03 -1.36 -0.34 0.00 -0.77 0.00 0.00 57.85 55.41 1xr3 n ARG 65 Cb 0.05 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.87 1xr3 n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xr3 s SER 66 N -1.91 4.12 0.13 0.55 0.15 -0.40 -5.01 113.70 111.33 1xr3 s SER 66 Ca 0.34 -0.74 -0.19 0.00 0.70 0.00 0.00 55.95 56.06 1xr3 s SER 66 Cb 0.20 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 1xr3 s SER 66 CO 0.31 -0.09 1.74 0.58 1.20 0.00 0.00 173.24 176.99 1xr3 h VAL 67 N 6.02 0.91 -0.54 4.45 2.07 -1.89 0.11 116.25 127.38 1xr3 h VAL 67 Ca -0.36 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1xr3 h VAL 67 Cb 1.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1xr3 h VAL 67 CO 0.59 0.02 0.13 1.55 0.02 0.00 0.00 177.57 179.88 1xr3 h PRO 68 N 0.13 0.83 -0.23 1.57 0.13 -1.95 -1.06 132.00 131.41 1xr3 h PRO 68 Ca 0.09 -0.17 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 1xr3 h PRO 68 Cb 0.09 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1xr3 h PRO 68 CO -0.12 0.75 -0.54 0.93 -0.23 0.00 0.00 178.00 178.79 1xr3 h GLU 69 N 0.80 0.69 -0.06 0.86 5.08 -1.75 -1.54 114.58 118.65 1xr3 h GLU 69 Ca 0.18 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xr3 h GLU 69 Cb 0.30 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1xr3 h GLU 69 CO -0.00 1.05 0.03 0.82 -1.00 0.00 0.00 179.01 179.91 1xr3 h ILE 70 N 0.53 1.07 -0.60 3.13 2.04 -0.57 0.71 117.51 123.83 1xr3 h ILE 70 Ca 0.01 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1xr3 h ILE 70 Cb 1.11 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.21 1xr3 h ILE 70 CO 0.11 0.06 0.18 -0.08 0.00 0.00 0.00 178.15 178.42 1xr3 h GLU 71 N 0.01 0.33 -0.14 2.37 4.81 -1.10 0.17 114.58 121.02 1xr3 h GLU 71 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1xr3 h GLU 71 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xr3 h GLU 71 CO -0.00 0.22 -0.29 0.00 -0.73 0.00 0.00 179.01 178.20 1xr3 h ALA 72 N 1.44 1.25 0.52 2.92 0.00 -0.93 -1.65 119.26 122.81 1xr3 h ALA 72 Ca 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xr3 h ALA 72 Cb 0.42 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xr3 h ALA 72 CO -0.35 0.50 -0.25 1.25 0.00 0.00 0.00 179.25 180.41 1xr3 h LEU 73 N 0.24 -0.59 -0.56 0.00 5.85 0.10 -1.77 115.31 118.58 1xr3 h LEU 73 Ca 0.03 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1xr3 h LEU 73 Cb 0.64 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1xr3 h LEU 73 CO 0.05 -0.32 0.34 0.58 -0.34 0.00 0.00 178.44 178.74 1xr3 h VAL 74 N -0.84 1.06 -0.97 1.05 2.07 -1.05 -2.03 116.25 115.54 1xr3 h VAL 74 Ca -0.07 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1xr3 h VAL 74 Cb 0.59 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1xr3 h VAL 74 CO 0.12 0.12 0.63 0.00 0.02 0.00 0.00 177.57 178.46 1xr3 h ALA 75 N 1.25 1.43 -0.78 1.67 0.00 -1.25 -1.86 119.26 119.71 1xr3 h ALA 75 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xr3 h ALA 75 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1xr3 h ALA 75 CO -0.10 0.43 0.28 0.00 0.00 0.00 0.00 179.25 179.87 1xr3 h ALA 76 N 1.47 1.02 -0.00 0.00 0.00 -0.62 -2.34 119.26 118.79 1xr3 h ALA 76 Ca 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xr3 h ALA 76 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xr3 h ALA 76 CO -0.16 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1xr3 h VAL 77 N 1.15 1.19 -0.69 0.00 2.07 -0.89 -0.36 116.25 118.72 1xr3 h VAL 77 Ca 0.26 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1xr3 h VAL 77 Cb 0.26 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1xr3 h VAL 77 CO -0.02 0.14 0.46 0.58 0.02 0.00 0.00 177.57 178.76 1xr3 h VAL 78 N -0.23 0.88 0.00 2.57 2.07 -1.30 0.23 116.25 120.47 1xr3 h VAL 78 Ca 0.00 -0.17 -0.22 0.00 0.82 0.00 0.00 66.70 67.13 1xr3 h VAL 78 Cb 0.24 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1xr3 h VAL 78 CO 0.00 0.09 -1.21 -0.08 0.02 0.00 0.00 177.57 176.39 1xr3 h GLU 79 N 0.50 0.00 0.05 1.57 4.22 -1.14 -1.45 114.58 118.33 1xr3 h GLU 79 Ca 0.33 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.49 1xr3 h GLU 79 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1xr3 h GLU 79 CO -0.11 0.74 -1.48 -0.09 -2.18 0.00 0.00 179.01 175.90 1xr3 h ARG 80 N 0.00 0.11 0.00 1.92 9.65 -0.35 -3.43 114.38 122.28 1xr3 h ARG 80 Ca -0.11 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1xr3 h ARG 80 Cb 1.80 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.45 1xr3 h ARG 80 CO 0.10 0.89 -0.45 0.66 2.80 0.00 0.00 179.97 183.98 1xr3 n TYR 81 N -3.30 0.00 0.00 2.20 4.01 0.74 -5.09 117.16 115.73 1xr3 n TYR 81 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1xr3 n TYR 81 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1xr3 n TYR 81 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xr3 n GLY 82 N 1.60 1.17 3.37 2.72 0.00 -0.54 -5.00 105.19 108.52 1xr3 n GLY 82 Ca 0.00 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1xr3 n GLY 82 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xr3 n PRO 83 N -0.92 0.24 -2.88 1.61 -0.02 -1.26 -4.00 135.00 127.77 1xr3 n PRO 83 Ca 0.00 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 1xr3 n PRO 83 Cb 0.00 -1.21 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1xr3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xr3 s VAL 84 N -1.53 4.72 -0.27 -1.45 1.01 -0.07 -4.70 120.40 118.11 1xr3 s VAL 84 Ca 0.61 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 64.26 1xr3 s VAL 84 Cb -0.65 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.41 1xr3 s VAL 84 CO 0.60 0.31 -0.32 0.47 0.00 0.00 0.00 175.10 176.16 1xr3 n ASP 85 N 3.06 1.96 -4.21 3.32 8.00 -0.61 -4.38 116.55 123.68 1xr3 n ASP 85 Ca 0.00 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 1xr3 n ASP 85 Cb 0.50 -0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 1xr3 n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xr3 s VAL 86 N -2.50 2.21 -0.15 2.53 1.01 -0.81 0.06 120.40 122.74 1xr3 s VAL 86 Ca -0.38 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.67 1xr3 s VAL 86 Cb 0.14 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1xr3 s VAL 86 CO 0.50 0.55 -0.20 -0.22 0.00 0.00 0.00 175.10 175.72 1xr3 s LEU 87 N 0.62 2.06 -0.39 3.92 1.98 0.79 -0.39 118.68 127.28 1xr3 s LEU 87 Ca -0.11 -0.60 0.02 0.00 -2.89 0.00 0.00 54.13 50.55 1xr3 s LEU 87 Cb -0.16 -1.41 0.11 0.00 0.66 0.00 0.00 46.19 45.39 1xr3 s LEU 87 CO 0.03 0.04 0.13 -0.69 -1.89 0.00 0.00 176.35 173.97 1xr3 s VAL 88 N 1.01 2.67 -0.59 1.68 1.01 -0.26 -0.44 120.40 125.48 1xr3 s VAL 88 Ca -0.03 -2.38 -0.28 0.00 0.00 0.00 0.00 61.98 59.30 1xr3 s VAL 88 Cb -0.15 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1xr3 s VAL 88 CO -0.06 -0.66 1.40 0.20 0.00 0.00 0.00 175.10 175.99 1xr3 s ASN 89 N 1.05 6.12 -0.10 3.32 0.02 -0.44 -2.49 114.94 122.43 1xr3 s ASN 89 Ca 0.11 0.19 -0.01 0.00 -1.02 0.00 0.00 52.86 52.13 1xr3 s ASN 89 Cb -0.21 -2.55 -0.06 0.00 0.02 0.00 0.00 41.25 38.46 1xr3 s ASN 89 CO -0.06 -1.74 -0.10 -3.20 0.02 0.00 0.00 177.10 172.03 1xr3 n ASN 90 N 9.61 2.48 -4.35 -1.22 5.15 -1.22 -0.95 115.26 124.75 1xr3 n ASN 90 Ca 0.11 0.00 -0.60 0.00 -0.60 0.00 0.00 54.58 53.49 1xr3 n ASN 90 Cb 0.49 -0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 39.43 1xr3 n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xr3 n ALA 91 N -2.99 0.04 -2.31 5.20 0.00 -0.19 -4.87 120.51 115.39 1xr3 n ALA 91 Ca -0.18 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1xr3 n ALA 91 Cb 0.67 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 1xr3 n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xr3 s GLY 92 N 5.60 2.18 -0.28 0.00 0.00 -1.26 -4.72 107.32 108.84 1xr3 s GLY 92 Ca 1.16 -1.84 -0.17 0.00 0.00 0.00 0.00 44.72 43.87 1xr3 s GLY 92 CO 0.67 -1.53 0.71 -1.60 0.00 0.00 0.00 173.10 171.35 1xr3 s ARG 93 N -3.67 0.70 0.95 2.90 3.00 -1.26 -4.98 118.95 116.59 1xr3 s ARG 93 Ca 0.37 1.17 -0.15 0.00 -1.00 0.00 0.00 55.73 56.12 1xr3 s ARG 93 Cb 0.04 0.16 0.17 0.00 0.00 0.00 0.00 34.95 35.32 1xr3 s ARG 93 CO 0.21 -0.14 1.23 -1.25 0.00 0.00 0.00 175.30 175.36 1xr3 s PRO 94 N 1.49 0.81 0.00 5.12 0.04 -1.26 -4.84 135.00 136.36 1xr3 s PRO 94 Ca -0.09 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1xr3 s PRO 94 Cb -0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1xr3 s PRO 94 CO -0.18 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 174.93 1xr3 n GLY 95 N -3.07 2.54 0.00 0.56 0.00 -1.26 -4.92 105.19 99.04 1xr3 n GLY 95 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xr3 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr3 n GLY 96 N -0.19 1.56 0.00 -0.02 0.00 -1.26 -3.80 105.19 101.47 1xr3 n GLY 96 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xr3 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr3 n GLY 97 N 0.00 0.79 3.70 -0.02 0.00 -0.47 -4.97 105.19 104.22 1xr3 n GLY 97 Ca 0.00 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1xr3 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr3 s ALA 98 N -1.35 3.49 0.53 4.61 0.00 -1.26 -4.27 121.76 123.50 1xr3 s ALA 98 Ca 0.00 0.86 0.20 0.00 0.00 0.00 0.00 51.96 53.02 1xr3 s ALA 98 Cb 0.00 -3.51 1.40 0.00 0.00 0.00 0.00 23.12 21.01 1xr3 s ALA 98 CO 0.00 -0.65 2.16 1.15 0.00 0.00 0.00 175.76 178.42 1xr3 h THR 99 N 4.67 0.86 0.00 0.00 2.02 -1.95 -1.22 112.91 117.29 1xr3 h THR 99 Ca -0.39 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1xr3 h THR 99 Cb 1.19 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1xr3 h THR 99 CO 0.86 0.03 0.00 0.00 0.37 0.00 0.00 175.52 176.77 1xr3 h ALA 100 N 1.97 1.00 -0.00 6.16 0.00 -2.04 -3.19 119.26 123.17 1xr3 h ALA 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xr3 h ALA 100 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xr3 h ALA 100 CO 0.00 0.00 -0.27 0.39 0.00 0.00 0.00 179.25 179.38 1xr3 n GLU 101 N -2.41 3.80 -1.66 0.00 -0.58 -0.56 -5.04 120.64 114.19 1xr3 n GLU 101 Ca 0.03 -0.19 -0.46 0.00 -0.42 0.00 0.00 57.16 56.13 1xr3 n GLU 101 Cb 0.33 -0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 1xr3 n GLU 101 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1xr3 n LEU 102 N -0.86 2.85 -4.73 -4.62 7.94 -0.61 -4.93 117.00 112.05 1xr3 n LEU 102 Ca 0.02 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 1xr3 n LEU 102 Cb 0.13 -1.39 -0.03 0.00 0.53 0.00 0.00 43.42 42.65 1xr3 n LEU 102 CO 0.13 -0.56 0.89 0.00 -1.11 0.00 0.00 177.39 176.73 1xr3 s ALA 103 N 0.18 3.43 0.41 1.96 0.00 -1.26 -4.92 121.76 121.55 1xr3 s ALA 103 Ca 0.72 0.92 0.16 0.00 0.00 0.00 0.00 51.96 53.76 1xr3 s ALA 103 Cb -0.69 -3.43 1.04 0.00 0.00 0.00 0.00 23.12 20.04 1xr3 s ALA 103 CO 0.47 -0.39 1.85 0.22 0.00 0.00 0.00 175.76 177.91 1xr3 h ASP 104 N 5.80 0.45 1.09 0.00 3.58 -2.00 0.12 116.42 125.46 1xr3 h ASP 104 Ca -0.43 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 1xr3 h ASP 104 Cb 1.21 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1xr3 h ASP 104 CO 0.77 0.18 -0.30 -0.08 -2.88 0.00 0.00 179.24 176.94 1xr3 h GLU 105 N 0.45 0.00 -0.07 0.28 4.57 -1.99 -2.12 114.58 115.69 1xr3 h GLU 105 Ca 0.47 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.51 1xr3 h GLU 105 Cb 1.11 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1xr3 h GLU 105 CO -0.19 0.30 -0.50 1.25 -1.18 0.00 0.00 179.01 178.69 1xr3 h LEU 106 N 0.00 0.56 -0.76 1.64 5.85 -1.16 -2.26 115.31 119.18 1xr3 h LEU 106 Ca -0.00 -0.67 0.03 0.00 0.84 0.00 0.00 57.88 58.07 1xr3 h LEU 106 Cb 0.92 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1xr3 h LEU 106 CO 0.04 1.15 0.48 -0.25 -0.34 0.00 0.00 178.44 179.52 1xr3 h TRP 107 N 0.01 0.91 -0.33 1.25 2.91 -1.25 -1.61 115.95 117.84 1xr3 h TRP 107 Ca -0.04 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.86 1xr3 h TRP 107 Cb 1.16 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 1xr3 h TRP 107 CO 0.12 0.52 -0.36 -0.07 -1.03 0.00 0.00 178.44 177.63 1xr3 h LEU 108 N 0.95 0.81 -0.01 0.65 3.38 -1.40 -2.33 115.31 117.36 1xr3 h LEU 108 Ca 0.30 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xr3 h LEU 108 Cb 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1xr3 h LEU 108 CO -0.11 1.09 0.00 -0.78 0.09 0.00 0.00 178.44 178.73 1xr3 h ASP 109 N 0.63 0.01 -0.30 -0.43 1.82 -1.01 0.10 116.42 117.24 1xr3 h ASP 109 Ca 0.06 -0.27 0.04 0.00 -0.39 0.00 0.00 57.03 56.47 1xr3 h ASP 109 Cb 0.91 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1xr3 h ASP 109 CO 0.08 0.28 0.08 0.58 -1.61 0.00 0.00 179.24 178.65 1xr3 h VAL 110 N -0.25 0.88 -0.40 2.25 2.07 -1.32 0.26 116.25 119.73 1xr3 h VAL 110 Ca 0.00 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1xr3 h VAL 110 Cb 0.27 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1xr3 h VAL 110 CO 0.00 0.04 -0.01 0.58 0.02 0.00 0.00 177.57 178.20 1xr3 h VAL 111 N 0.19 1.22 0.00 2.57 2.07 -1.33 -0.18 116.25 120.80 1xr3 h VAL 111 Ca 0.14 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1xr3 h VAL 111 Cb 0.14 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1xr3 h VAL 111 CO -0.17 0.31 -0.43 -0.08 0.02 0.00 0.00 177.57 177.22 1xr3 h GLU 112 N 0.61 0.00 0.00 1.57 4.81 -0.03 -1.21 114.58 120.34 1xr3 h GLU 112 Ca 0.12 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1xr3 h GLU 112 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1xr3 h GLU 112 CO 0.02 0.43 -0.71 1.15 -0.73 0.00 0.00 179.01 179.17 1xr3 h THR 113 N 0.00 1.09 0.05 0.32 2.02 -0.68 -1.85 112.91 113.86 1xr3 h THR 113 Ca -0.00 -2.08 -0.19 0.00 0.77 0.00 0.00 66.41 64.90 1xr3 h THR 113 Cb 1.05 2.32 0.02 0.00 -1.74 0.00 0.00 68.15 69.80 1xr3 h THR 113 CO 0.06 0.37 -0.79 0.78 0.37 0.00 0.00 175.52 176.31 1xr3 h ASN 114 N -1.00 0.60 0.00 4.18 -0.26 -1.14 -3.31 115.58 114.66 1xr3 h ASN 114 Ca -0.19 -0.81 -0.16 0.00 -0.56 0.00 0.00 56.30 54.58 1xr3 h ASN 114 Cb 1.07 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 1xr3 h ASN 114 CO -0.11 1.35 -1.36 -0.11 -1.06 0.00 0.00 177.43 176.14 1xr3 n LEU 115 N -4.10 1.91 0.03 1.61 0.00 -0.65 -4.25 117.00 111.55 1xr3 n LEU 115 Ca -0.12 0.41 -0.02 0.00 0.00 0.00 0.00 56.01 56.28 1xr3 n LEU 115 Cb 0.77 -0.82 0.23 0.00 0.00 0.00 0.00 43.42 43.61 1xr3 n LEU 115 CO 0.50 -0.01 0.75 0.74 0.00 0.00 0.00 177.39 179.37 1xr3 h THR 116 N -1.00 1.26 -0.70 1.96 2.02 -1.36 -2.69 112.91 112.39 1xr3 h THR 116 Ca -0.24 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1xr3 h THR 116 Cb 1.11 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1xr3 h THR 116 CO -0.14 0.38 0.39 1.23 0.37 0.00 0.00 175.52 177.75 1xr3 h GLY 117 N 1.00 1.03 0.94 2.16 0.00 -1.42 -0.28 103.07 106.51 1xr3 h GLY 117 Ca 0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1xr3 h GLY 117 CO 0.04 0.43 0.13 -2.08 0.00 0.00 0.00 176.54 175.07 1xr3 h VAL 118 N 0.98 1.21 0.06 4.60 2.07 -1.66 -1.24 116.25 122.27 1xr3 h VAL 118 Ca 0.25 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xr3 h VAL 118 Cb 0.01 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1xr3 h VAL 118 CO -0.04 0.25 -0.03 0.15 0.02 0.00 0.00 177.57 177.92 1xr3 h PHE 119 N 0.52 -0.07 -0.88 1.57 3.57 -1.28 -1.94 116.94 118.43 1xr3 h PHE 119 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1xr3 h PHE 119 Cb 0.25 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1xr3 h PHE 119 CO 0.01 0.07 0.56 0.00 -2.23 0.00 0.00 178.31 176.71 1xr3 h ARG 120 N -0.19 1.17 0.16 1.11 3.08 -0.93 -1.05 114.38 117.73 1xr3 h ARG 120 Ca -0.01 -0.09 -0.30 0.00 0.07 0.00 0.00 59.98 59.66 1xr3 h ARG 120 Cb 0.17 -0.26 0.02 0.00 0.08 0.00 0.00 29.97 29.98 1xr3 h ARG 120 CO 0.01 0.80 -1.31 0.28 -1.07 0.00 0.00 179.97 178.68 1xr3 h VAL 121 N 1.20 1.39 -0.43 2.04 2.07 -1.23 -2.91 116.25 118.38 1xr3 h VAL 121 Ca 0.32 -2.82 -0.12 0.00 0.82 0.00 0.00 66.70 64.90 1xr3 h VAL 121 Cb -0.10 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1xr3 h VAL 121 CO -0.06 0.83 -0.20 0.71 0.02 0.00 0.00 177.57 178.87 1xr3 h THR 122 N 0.14 1.27 -0.89 2.57 1.35 -1.23 -0.84 112.91 115.28 1xr3 h THR 122 Ca -0.18 -1.35 0.01 0.00 -0.55 0.00 0.00 66.41 64.33 1xr3 h THR 122 Cb 2.01 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 69.60 1xr3 h THR 122 CO 0.23 0.46 0.58 0.50 -0.25 0.00 0.00 175.52 177.04 1xr3 h LYS 123 N 0.73 1.18 -0.27 4.72 3.64 -1.29 -0.50 116.57 124.79 1xr3 h LYS 123 Ca 0.10 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1xr3 h LYS 123 Cb 0.77 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1xr3 h LYS 123 CO 0.06 0.80 -0.30 0.37 -2.27 0.00 0.00 179.45 178.11 1xr3 h GLN 124 N 1.21 0.56 0.00 1.90 5.75 -1.29 -2.57 115.11 120.67 1xr3 h GLN 124 Ca 0.33 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1xr3 h GLN 124 Cb -0.12 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.41 1xr3 h GLN 124 CO -0.07 0.79 -0.01 0.28 -2.65 0.00 0.00 178.83 177.18 1xr3 h VAL 125 N 0.48 0.02 0.14 2.39 2.07 -0.54 -0.74 116.25 120.06 1xr3 h VAL 125 Ca 0.06 -0.90 -0.30 0.00 0.82 0.00 0.00 66.70 66.37 1xr3 h VAL 125 Cb 0.76 1.89 0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1xr3 h VAL 125 CO 0.06 0.01 -1.28 -0.07 0.02 0.00 0.00 177.57 176.31 1xr3 h LEU 126 N 0.00 0.87 0.00 2.57 3.38 -0.85 -2.83 115.31 118.46 1xr3 h LEU 126 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1xr3 h LEU 126 Cb 0.89 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xr3 h LEU 126 CO 0.00 1.63 0.00 0.29 0.09 0.00 0.00 178.44 180.45 1xr3 n LYS 127 N -3.79 0.00 0.22 1.13 4.76 -0.99 -1.45 118.16 118.03 1xr3 n LYS 127 Ca -0.14 0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 1xr3 n LYS 127 Cb 1.00 -0.31 0.52 0.00 -1.84 0.00 0.00 35.03 34.40 1xr3 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xr3 h ALA 128 N -2.00 1.35 0.00 7.82 0.00 -1.70 -2.07 119.26 122.66 1xr3 h ALA 128 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xr3 h ALA 128 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xr3 h ALA 128 CO 0.00 0.30 0.00 0.78 0.00 0.00 0.00 179.25 180.33 1xr3 h GLY 129 N 1.05 0.00 0.00 0.00 0.00 -1.09 -3.47 103.07 99.56 1xr3 h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xr3 h GLY 129 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1xr3 n GLY 130 N -0.20 0.71 0.19 4.60 0.00 -0.78 -0.89 105.19 108.82 1xr3 n GLY 130 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1xr3 n GLY 130 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xr3 h MET 131 N 1.86 -0.38 -0.89 1.61 1.85 -1.55 -1.42 114.93 116.01 1xr3 h MET 131 Ca 0.00 0.03 0.12 0.00 -0.61 0.00 0.00 59.70 59.23 1xr3 h MET 131 Cb 0.00 0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.05 1xr3 h MET 131 CO 0.00 -0.03 0.58 1.25 -0.40 0.00 0.00 176.91 178.30 1xr3 h LEU 132 N -0.83 0.74 0.05 3.39 7.12 -1.47 -1.63 115.31 122.68 1xr3 h LEU 132 Ca -0.04 0.03 -0.26 0.00 0.13 0.00 0.00 57.88 57.74 1xr3 h LEU 132 Cb 0.52 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 1xr3 h LEU 132 CO 0.07 0.41 -1.35 1.05 -0.13 0.00 0.00 178.44 178.49 1xr3 h GLU 133 N 0.80 0.10 0.00 1.25 4.11 -1.72 -3.22 114.58 115.90 1xr3 h GLU 133 Ca 0.43 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1xr3 h GLU 133 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xr3 h GLU 133 CO -0.20 0.93 0.00 -0.09 0.07 0.00 0.00 179.01 179.73 1xr3 h ARG 134 N 0.03 0.00 0.00 1.06 2.43 -0.78 -3.47 114.38 113.65 1xr3 h ARG 134 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1xr3 h ARG 134 Cb 1.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1xr3 h ARG 134 CO 0.13 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.00 1xr3 n GLY 135 N -0.03 2.70 3.51 2.80 0.00 -0.66 -5.00 105.19 108.50 1xr3 n GLY 135 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1xr3 n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xr3 s THR 136 N -2.12 1.12 0.00 2.61 -4.23 -1.25 -3.70 115.64 108.07 1xr3 s THR 136 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1xr3 s THR 136 Cb 0.00 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1xr3 s THR 136 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1xr3 n GLY 137 N -0.81 3.32 2.85 3.99 0.00 -1.17 -4.72 105.19 108.64 1xr3 n GLY 137 Ca -0.05 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1xr3 n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xr3 s ARG 138 N -2.29 0.50 -0.09 1.61 6.06 0.11 -2.30 118.95 122.54 1xr3 s ARG 138 Ca 0.00 0.00 -0.01 0.00 -2.50 0.00 0.00 55.73 53.22 1xr3 s ARG 138 Cb 0.00 -0.60 0.03 0.00 0.06 0.00 0.00 34.95 34.44 1xr3 s ARG 138 CO 0.00 -0.11 -0.01 -1.50 -2.50 0.00 0.00 175.30 171.18 1xr3 s ILE 139 N 0.94 0.52 -0.14 4.11 2.07 -0.95 -0.15 121.20 127.61 1xr3 s ILE 139 Ca -0.11 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1xr3 s ILE 139 Cb -0.14 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 1xr3 s ILE 139 CO -0.01 0.23 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.42 1xr3 s VAL 140 N 1.91 2.83 -0.16 4.00 1.01 0.42 -1.96 120.40 128.45 1xr3 s VAL 140 Ca 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1xr3 s VAL 140 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1xr3 s VAL 140 CO -0.06 0.52 -0.04 0.20 0.00 0.00 0.00 175.10 175.72 1xr3 s ASN 141 N 0.54 4.77 -0.66 3.32 0.01 -0.27 -1.32 114.94 121.33 1xr3 s ASN 141 Ca -0.09 -0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 51.67 1xr3 s ASN 141 Cb -0.16 -1.78 0.05 0.00 0.41 0.00 0.00 41.25 39.78 1xr3 s ASN 141 CO 0.04 0.16 1.06 -0.63 -1.51 0.00 0.00 177.10 176.22 1xr3 s ILE 142 N 0.39 4.16 0.00 0.60 -1.09 -0.12 -1.47 121.20 123.67 1xr3 s ILE 142 Ca -0.04 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1xr3 s ILE 142 Cb -0.14 -4.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.01 1xr3 s ILE 142 CO 0.03 -1.50 0.00 0.00 -1.23 0.00 0.00 174.94 172.24 1xr3 n ALA 143 N 8.15 0.00 0.00 9.38 0.00 -0.19 -4.89 120.51 132.96 1xr3 n ALA 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xr3 n ALA 143 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1xr3 n ALA 143 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xr3 n SER 144 N 0.00 0.00 0.07 0.00 2.88 -1.26 -4.59 113.62 110.72 1xr3 n SER 144 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1xr3 n SER 144 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 1xr3 n SER 144 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xr3 n THR 145 N -0.58 0.42 1.35 2.46 -2.24 -0.93 -2.15 114.28 112.61 1xr3 n THR 145 Ca 0.00 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1xr3 n THR 145 Cb 0.00 -0.51 0.70 0.00 -2.10 0.00 0.00 70.33 68.42 1xr3 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr3 n GLY 146 N 1.36 -1.11 1.14 3.38 0.00 -1.26 -1.29 105.19 107.41 1xr3 n GLY 146 Ca 0.06 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1xr3 n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr3 n GLY 147 N 0.93 1.72 0.00 -0.02 0.00 -0.91 -4.29 105.19 102.63 1xr3 n GLY 147 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xr3 n GLY 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xr3 n LYS 148 N 1.43 1.18 -4.42 1.61 5.02 -1.02 -4.06 118.16 117.90 1xr3 n LYS 148 Ca 0.20 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 1xr3 n LYS 148 Cb 0.59 -0.70 -0.09 0.00 -0.02 0.00 0.00 35.03 34.80 1xr3 n LYS 148 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xr3 s GLN 149 N -1.41 1.85 0.18 1.97 -0.21 -0.41 -5.08 119.66 116.55 1xr3 s GLN 149 Ca 0.00 -1.67 -0.20 0.00 0.02 0.00 0.00 55.36 53.51 1xr3 s GLN 149 Cb 0.00 -1.88 -0.08 0.00 1.00 0.00 0.00 33.01 32.05 1xr3 s GLN 149 CO 0.00 0.34 0.69 0.20 -2.12 0.00 0.00 175.29 174.40 1xr3 s GLY 150 N -3.55 2.68 -0.25 3.09 0.00 -1.26 -4.35 107.32 103.68 1xr3 s GLY 150 Ca 0.30 0.16 0.01 0.00 0.00 0.00 0.00 44.72 45.19 1xr3 s GLY 150 CO 0.16 0.55 -0.10 0.14 0.00 0.00 0.00 173.10 173.85 1xr3 s VAL 151 N -1.36 2.42 0.22 1.40 1.01 -1.26 -5.04 120.40 117.78 1xr3 s VAL 151 Ca 0.38 -1.32 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1xr3 s VAL 151 Cb -0.18 -2.29 -0.15 0.00 0.00 0.00 0.00 36.38 33.76 1xr3 s VAL 151 CO 0.22 0.13 1.18 0.52 0.00 0.00 0.00 175.10 177.15 1xr3 n VAL 152 N 4.55 1.22 -2.13 2.92 0.31 -1.26 -1.11 118.33 122.84 1xr3 n VAL 152 Ca -0.16 -0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 63.67 1xr3 n VAL 152 Cb 0.45 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 1xr3 n VAL 152 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1xr3 n HIS 153 N 1.23 -0.65 -2.81 3.52 8.25 -1.26 -4.84 115.22 118.66 1xr3 n HIS 153 Ca 0.13 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1xr3 n HIS 153 Cb 0.28 -3.64 0.06 0.00 1.12 0.00 0.00 29.99 27.81 1xr3 n HIS 153 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xr3 n ALA 154 N -0.94 2.66 0.23 -1.41 0.00 -0.26 -1.37 120.51 119.42 1xr3 n ALA 154 Ca -0.22 -2.55 -0.15 0.00 0.00 0.00 0.00 53.44 50.51 1xr3 n ALA 154 Cb 0.67 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 1xr3 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xr3 h ALA 155 N 2.44 -0.62 -0.83 0.00 0.00 -1.81 0.21 119.26 118.66 1xr3 h ALA 155 Ca -0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xr3 h ALA 155 Cb 1.27 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1xr3 h ALA 155 CO 0.16 -0.86 0.54 -1.00 0.00 0.00 0.00 179.25 178.09 1xr3 h PRO 156 N -0.62 1.06 0.31 0.00 0.13 -1.93 -1.35 132.00 129.60 1xr3 h PRO 156 Ca -0.04 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1xr3 h PRO 156 Cb 0.52 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1xr3 h PRO 156 CO 0.03 0.70 -0.22 -0.92 -0.23 0.00 0.00 178.00 177.37 1xr3 h TYR 157 N 1.09 -0.56 -0.75 1.56 3.20 -1.58 0.18 116.97 120.10 1xr3 h TYR 157 Ca 0.31 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.25 1xr3 h TYR 157 Cb -0.09 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1xr3 h TYR 157 CO -0.02 -0.33 0.43 0.77 -1.64 0.00 0.00 178.16 177.38 1xr3 h SER 158 N -0.52 0.65 0.12 -2.11 0.02 -0.40 0.11 113.55 111.41 1xr3 h SER 158 Ca -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1xr3 h SER 158 Cb 0.44 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1xr3 h SER 158 CO 0.01 0.40 -0.06 0.00 -1.14 0.00 0.00 176.83 176.05 1xr3 h ALA 159 N 1.39 -0.16 -0.21 3.77 0.00 -1.00 0.05 119.26 123.11 1xr3 h ALA 159 Ca 0.34 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1xr3 h ALA 159 Cb 0.23 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1xr3 h ALA 159 CO -0.20 -0.45 -0.15 0.66 0.00 0.00 0.00 179.25 179.11 1xr3 h SER 160 N -0.44 -0.49 0.44 0.00 4.64 -0.31 -0.07 113.55 117.34 1xr3 h SER 160 Ca -0.02 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1xr3 h SER 160 Cb 0.35 0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1xr3 h SER 160 CO 0.03 -0.19 -0.26 0.11 -0.87 0.00 0.00 176.83 175.65 1xr3 h LYS 161 N -0.15 -0.63 -0.75 4.77 6.56 -0.75 -2.42 116.57 123.20 1xr3 h LYS 161 Ca 0.12 0.04 0.17 0.00 -1.06 0.00 0.00 60.65 59.92 1xr3 h LYS 161 Cb 0.33 0.14 -0.11 0.00 -0.57 0.00 0.00 32.23 32.02 1xr3 h LYS 161 CO -0.30 -0.42 0.16 0.45 -2.06 0.00 0.00 179.45 177.28 1xr3 h HIS 162 N -0.66 0.24 -0.08 -1.35 3.86 -0.74 0.38 115.15 116.80 1xr3 h HIS 162 Ca -0.05 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xr3 h HIS 162 Cb 0.53 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1xr3 h HIS 162 CO -0.08 -0.12 0.06 0.78 0.86 0.00 0.00 177.93 179.43 1xr3 h GLY 163 N 0.24 0.00 1.18 2.45 0.00 -0.67 -0.26 103.07 106.01 1xr3 h GLY 163 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.61 1xr3 h GLY 163 CO -0.54 0.00 -0.32 -2.08 0.00 0.00 0.00 176.54 173.60 1xr3 h VAL 164 N 0.00 1.27 -0.53 4.60 2.07 0.22 0.18 116.25 124.07 1xr3 h VAL 164 Ca 0.04 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 1xr3 h VAL 164 Cb 0.15 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1xr3 h VAL 164 CO -0.00 0.50 -0.05 0.58 0.02 0.00 0.00 177.57 178.62 1xr3 h VAL 165 N 0.76 1.26 -0.28 2.57 2.07 -0.81 0.44 116.25 122.26 1xr3 h VAL 165 Ca 0.08 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1xr3 h VAL 165 Cb 0.89 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1xr3 h VAL 165 CO 0.08 0.41 0.08 1.23 0.02 0.00 0.00 177.57 179.40 1xr3 h GLY 166 N 0.98 0.47 1.77 2.17 0.00 -0.70 -0.16 103.07 107.60 1xr3 h GLY 166 Ca 0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1xr3 h GLY 166 CO 0.04 0.27 -0.13 -2.75 0.00 0.00 0.00 176.54 173.96 1xr3 h PHE 167 N 0.29 0.30 0.12 5.60 3.04 -0.43 -1.20 116.94 124.66 1xr3 h PHE 167 Ca 0.09 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1xr3 h PHE 167 Cb 0.25 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1xr3 h PHE 167 CO 0.01 0.42 -0.06 1.15 -2.02 0.00 0.00 178.31 177.81 1xr3 h THR 168 N 0.27 1.05 -0.83 4.41 2.02 -0.54 -0.51 112.91 118.78 1xr3 h THR 168 Ca 0.05 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1xr3 h THR 168 Cb 0.41 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1xr3 h THR 168 CO 0.02 0.17 0.48 0.11 0.37 0.00 0.00 175.52 176.68 1xr3 h LYS 169 N -0.49 1.14 -0.13 6.66 1.57 -0.83 -1.13 116.57 123.36 1xr3 h LYS 169 Ca -0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1xr3 h LYS 169 Cb 0.39 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1xr3 h LYS 169 CO 0.03 0.81 -0.09 0.00 -0.57 0.00 0.00 179.45 179.63 1xr3 h ALA 170 N 1.26 0.18 0.00 3.86 0.00 -1.20 -2.29 119.26 121.07 1xr3 h ALA 170 Ca 0.30 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1xr3 h ALA 170 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xr3 h ALA 170 CO -0.05 0.01 -0.38 1.25 0.00 0.00 0.00 179.25 180.07 1xr3 h LEU 171 N -0.08 0.00 -0.01 0.00 7.12 -1.03 -2.73 115.31 118.58 1xr3 h LEU 171 Ca 0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1xr3 h LEU 171 Cb 0.59 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1xr3 h LEU 171 CO 0.03 0.38 -0.01 1.23 -0.13 0.00 0.00 178.44 179.94 1xr3 h GLY 172 N 1.58 0.03 0.84 3.75 0.00 -1.16 -2.71 103.07 105.40 1xr3 h GLY 172 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1xr3 h GLY 172 CO 0.05 0.03 0.59 1.41 0.00 0.00 0.00 176.54 178.62 1xr3 h LEU 173 N -0.48 0.92 -0.39 3.11 3.38 -1.36 0.15 115.31 120.63 1xr3 h LEU 173 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xr3 h LEU 173 Cb 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xr3 h LEU 173 CO 0.00 0.59 0.00 1.05 0.09 0.00 0.00 178.44 180.17 1xr3 h GLU 174 N 1.04 0.00 -0.26 1.13 4.11 -1.47 -3.07 114.58 116.07 1xr3 h GLU 174 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1xr3 h GLU 174 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xr3 h GLU 174 CO -0.15 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.21 1xr3 n LEU 175 N -2.65 2.66 -0.29 3.06 4.77 -0.71 -4.70 117.00 119.14 1xr3 n LEU 175 Ca 0.04 -1.71 0.12 0.00 -0.03 0.00 0.00 56.01 54.42 1xr3 n LEU 175 Cb 0.40 -0.17 0.27 0.00 -2.33 0.00 0.00 43.42 41.59 1xr3 n LEU 175 CO 0.29 0.63 0.95 0.00 -1.33 0.00 0.00 177.39 177.92 1xr3 h ALA 176 N 2.12 1.23 -0.35 -1.18 0.00 -0.64 -0.86 119.26 119.57 1xr3 h ALA 176 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1xr3 h ALA 176 Cb 0.66 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1xr3 h ALA 176 CO 0.00 -0.43 0.18 2.89 0.00 0.00 0.00 179.25 181.89 1xr3 n ARG 177 N -5.20 1.89 -0.04 0.00 0.00 -1.26 -4.21 116.66 107.83 1xr3 n ARG 177 Ca 0.20 -1.26 -0.05 0.00 -0.00 0.00 0.00 57.85 56.74 1xr3 n ARG 177 Cb 0.64 -1.60 -0.06 0.00 -0.00 0.00 0.00 32.46 31.44 1xr3 n ARG 177 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xr3 n THR 178 N -0.03 0.58 0.00 8.89 -2.24 -0.33 -5.00 114.28 116.16 1xr3 n THR 178 Ca 0.20 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1xr3 n THR 178 Cb 0.87 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1xr3 n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr3 n GLY 179 N 2.60 0.95 3.53 3.38 0.00 -1.24 -4.52 105.19 109.89 1xr3 n GLY 179 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1xr3 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr3 s ILE 180 N -2.00 4.09 0.21 -0.61 1.01 -1.26 -3.02 121.20 119.62 1xr3 s ILE 180 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1xr3 s ILE 180 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1xr3 s ILE 180 CO 0.00 0.49 0.04 0.42 0.00 0.00 0.00 174.94 175.89 1xr3 s THR 181 N 0.30 3.83 -0.05 2.92 -4.23 -0.97 -4.52 115.64 112.92 1xr3 s THR 181 Ca -0.02 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1xr3 s THR 181 Cb -0.14 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.76 1xr3 s THR 181 CO 0.02 -0.22 0.09 -0.69 -0.54 0.00 0.00 174.62 173.29 1xr3 s VAL 182 N -1.95 -0.16 0.18 2.29 1.01 -1.26 -2.24 120.40 118.27 1xr3 s VAL 182 Ca 0.30 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1xr3 s VAL 182 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1xr3 s VAL 182 CO 0.20 0.17 0.14 0.20 0.00 0.00 0.00 175.10 175.82 1xr3 s ASN 183 N 2.19 0.17 -0.05 3.32 -0.87 -0.83 -0.31 114.94 118.57 1xr3 s ASN 183 Ca 0.04 -1.25 0.02 0.00 -1.57 0.00 0.00 52.86 50.10 1xr3 s ASN 183 Cb -0.12 0.37 0.01 0.00 -0.02 0.00 0.00 41.25 41.49 1xr3 s ASN 183 CO -0.04 -0.83 -0.11 0.00 -2.57 0.00 0.00 177.10 173.55 1xr3 s ALA 184 N -4.10 1.08 -0.21 0.60 0.00 0.01 -1.11 121.76 118.03 1xr3 s ALA 184 Ca 0.31 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 1xr3 s ALA 184 Cb 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1xr3 s ALA 184 CO 0.07 0.13 0.25 0.08 0.00 0.00 0.00 175.76 176.30 1xr3 s VAL 185 N 0.45 5.31 -0.55 0.00 1.01 -0.54 0.03 120.40 126.12 1xr3 s VAL 185 Ca -0.09 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1xr3 s VAL 185 Cb -0.13 -3.59 0.14 0.00 0.00 0.00 0.00 36.38 32.81 1xr3 s VAL 185 CO 0.02 0.34 0.38 0.00 0.00 0.00 0.00 175.10 175.84 1xr3 s PRO 187 N 0.60 3.38 0.00 0.00 0.02 -1.26 -1.80 135.00 135.95 1xr3 s PRO 187 Ca 0.12 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1xr3 s PRO 187 Cb -0.21 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1xr3 s PRO 187 CO -0.03 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 1xr3 n GLY 188 N 0.20 0.54 3.56 0.52 0.00 -0.22 -2.18 105.19 107.61 1xr3 n GLY 188 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1xr3 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xr3 s PHE 189 N 3.40 2.66 -0.14 1.61 0.40 -1.26 -4.89 117.98 119.76 1xr3 s PHE 189 Ca 0.00 0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.57 1xr3 s PHE 189 Cb 0.00 -4.38 -0.03 0.00 0.51 0.00 0.00 43.02 39.11 1xr3 s PHE 189 CO 0.00 -1.52 0.00 0.08 0.70 0.00 0.00 175.22 174.48 1xr3 s VAL 190 N 4.66 4.28 -1.12 -0.44 1.01 -1.26 0.28 120.40 127.82 1xr3 s VAL 190 Ca 0.39 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1xr3 s VAL 190 Cb -0.09 -2.87 -0.12 0.00 0.00 0.00 0.00 36.38 33.31 1xr3 s VAL 190 CO 0.23 0.52 1.99 -0.70 0.00 0.00 0.00 175.10 177.15 1xr3 s GLU 191 N -0.02 2.18 0.41 2.72 2.56 -0.18 -4.27 118.70 122.10 1xr3 s GLU 191 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 54.97 54.18 1xr3 s GLU 191 Cb -0.13 -5.15 -0.01 0.00 2.00 0.00 0.00 34.13 30.84 1xr3 s GLU 191 CO 0.02 -4.27 0.10 0.25 -0.56 0.00 0.00 175.26 170.79 1xr3 n THR 192 N 8.12 0.00 -0.21 -1.70 -2.24 -1.26 -4.59 114.28 112.40 1xr3 n THR 192 Ca 0.44 -2.24 0.16 0.00 -2.27 0.00 0.00 64.05 60.14 1xr3 n THR 192 Cb 0.47 0.69 0.48 0.00 -2.10 0.00 0.00 70.33 69.87 1xr3 n THR 192 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xr3 h PRO 193 N 0.00 0.45 -0.60 -0.78 0.11 -1.97 0.14 132.00 129.35 1xr3 h PRO 193 Ca -0.33 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1xr3 h PRO 193 Cb 1.16 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1xr3 h PRO 193 CO 0.53 0.30 0.14 0.52 -0.21 0.00 0.00 178.00 179.28 1xr3 h MET 194 N 0.46 0.94 -0.64 1.05 2.86 -1.95 0.58 114.93 118.23 1xr3 h MET 194 Ca 0.42 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1xr3 h MET 194 Cb 0.93 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1xr3 h MET 194 CO -0.15 0.84 0.35 0.00 1.06 0.00 0.00 176.91 179.01 1xr3 h ALA 195 N 1.26 1.43 -0.26 6.32 0.00 -1.16 0.24 119.26 127.08 1xr3 h ALA 195 Ca 0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xr3 h ALA 195 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xr3 h ALA 195 CO -0.00 0.48 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 1xr3 h ALA 196 N 1.51 0.38 -0.19 0.00 0.00 -0.90 -1.72 119.26 118.33 1xr3 h ALA 196 Ca 0.23 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xr3 h ALA 196 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1xr3 h ALA 196 CO -0.04 0.27 -0.07 1.03 0.00 0.00 0.00 179.25 180.45 1xr3 h SER 197 N 0.30 -0.24 -0.09 0.00 0.87 0.27 0.41 113.55 115.06 1xr3 h SER 197 Ca 0.06 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1xr3 h SER 197 Cb 0.68 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1xr3 h SER 197 CO 0.04 -0.09 -0.11 0.58 -0.53 0.00 0.00 176.83 176.72 1xr3 h VAL 198 N -0.04 1.21 -0.02 2.23 2.07 -0.55 0.23 116.25 121.37 1xr3 h VAL 198 Ca 0.10 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 1xr3 h VAL 198 Cb 0.18 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1xr3 h VAL 198 CO -0.21 0.29 -0.71 0.03 0.02 0.00 0.00 177.57 176.99 1xr3 h ARG 199 N 0.38 0.13 0.25 1.57 3.08 -0.73 -1.10 114.38 117.97 1xr3 h ARG 199 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xr3 h ARG 199 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1xr3 h ARG 199 CO 0.02 0.78 -0.12 1.49 -1.07 0.00 0.00 179.97 181.08 1xr3 h GLU 200 N 0.09 -0.33 -0.31 0.04 4.57 0.77 -2.45 114.58 116.96 1xr3 h GLU 200 Ca -0.02 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xr3 h GLU 200 Cb 1.26 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 1xr3 h GLU 200 CO 0.10 0.01 0.14 1.25 -1.18 0.00 0.00 179.01 179.34 1xr3 h HIS 201 N -0.72 0.27 0.00 0.92 2.76 -0.58 -1.94 115.15 115.86 1xr3 h HIS 201 Ca -0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1xr3 h HIS 201 Cb 0.49 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 1xr3 h HIS 201 CO 0.03 0.14 -0.04 -0.92 -1.30 0.00 0.00 177.93 175.85 1xr3 h TYR 202 N 0.31 0.00 0.00 5.26 5.03 -1.24 -1.55 116.97 124.78 1xr3 h TYR 202 Ca 0.13 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.35 1xr3 h TYR 202 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1xr3 h TYR 202 CO -0.10 0.04 -0.42 0.66 -1.32 0.00 0.00 178.16 177.01 1xr3 h SER 203 N 0.00 0.00 0.00 -2.11 4.64 -0.84 -2.89 113.55 112.34 1xr3 h SER 203 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xr3 h SER 203 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1xr3 h SER 203 CO 0.01 0.42 -0.33 0.44 -0.87 0.00 0.00 176.83 176.50 1xr3 h ASP 204 N 0.00 0.00 -1.13 4.97 3.32 -1.22 -3.35 116.42 119.02 1xr3 h ASP 204 Ca -0.00 -0.41 0.32 0.00 0.02 0.00 0.00 57.03 56.96 1xr3 h ASP 204 Cb 1.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1xr3 h ASP 204 CO 0.05 0.89 0.79 0.40 -1.72 0.00 0.00 179.24 179.65 1xr3 h ILE 205 N -1.00 0.44 -2.18 0.35 1.08 -1.48 -3.40 117.51 111.32 1xr3 h ILE 205 Ca -0.07 -0.04 -0.60 0.00 -0.39 0.00 0.00 64.86 63.76 1xr3 h ILE 205 Cb 0.65 0.33 -0.13 0.00 -3.07 0.00 0.00 36.82 34.59 1xr3 h ILE 205 CO -0.04 0.02 -0.74 0.26 -0.69 0.00 0.00 178.15 176.96 1xr3 s TRP 206 N -5.10 2.35 -0.89 1.37 0.51 -1.09 -5.01 118.94 111.08 1xr3 s TRP 206 Ca -0.06 -0.34 0.12 0.00 -2.12 0.00 0.00 56.10 53.70 1xr3 s TRP 206 Cb 0.24 -1.06 0.51 0.00 -0.81 0.00 0.00 33.47 32.35 1xr3 s TRP 206 CO 0.80 0.69 1.37 0.39 -0.51 0.00 0.00 176.95 179.69 1xr3 n GLU 207 N -0.67 0.03 -1.02 4.98 1.02 -1.26 -4.69 120.64 119.03 1xr3 n GLU 207 Ca -0.05 0.37 -0.30 0.00 -0.02 0.00 0.00 57.16 57.16 1xr3 n GLU 207 Cb 0.60 -1.57 0.16 0.00 -0.02 0.00 0.00 31.44 30.61 1xr3 n GLU 207 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xr3 s VAL 208 N -3.07 2.44 0.51 2.62 -7.23 -1.26 -5.06 120.40 109.35 1xr3 s VAL 208 Ca 0.04 0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.41 1xr3 s VAL 208 Cb 0.06 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.56 1xr3 s VAL 208 CO 0.20 -0.19 0.70 -0.94 -0.31 0.00 0.00 175.10 174.56 1xr3 s SER 209 N -3.16 5.32 0.30 4.85 1.04 -1.26 -4.64 113.70 116.15 1xr3 s SER 209 Ca 0.65 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.66 1xr3 s SER 209 Cb -0.20 -0.40 0.59 0.00 0.10 0.00 0.00 66.02 66.11 1xr3 s SER 209 CO 0.58 -1.08 1.87 0.74 0.98 0.00 0.00 173.24 176.33 1xr3 h THR 210 N 0.31 0.95 -0.61 2.02 2.02 -1.93 -0.67 112.91 115.00 1xr3 h THR 210 Ca -0.37 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 1xr3 h THR 210 Cb 1.28 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1xr3 h THR 210 CO 0.45 0.17 0.07 -0.33 0.37 0.00 0.00 175.52 176.26 1xr3 h GLU 211 N 0.96 1.02 0.00 6.66 3.07 -1.95 -0.32 114.58 124.02 1xr3 h GLU 211 Ca 0.46 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1xr3 h GLU 211 Cb 0.44 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1xr3 h GLU 211 CO -0.22 0.97 -0.31 0.93 -1.40 0.00 0.00 179.01 178.98 1xr3 h GLU 212 N 0.92 0.00 -0.02 2.33 5.08 -1.67 -0.35 114.58 120.88 1xr3 h GLU 212 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1xr3 h GLU 212 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xr3 h GLU 212 CO 0.02 0.31 -0.92 0.00 -1.00 0.00 0.00 179.01 177.42 1xr3 h ALA 213 N 1.69 0.36 0.71 3.43 0.00 -0.80 -1.34 119.26 123.30 1xr3 h ALA 213 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1xr3 h ALA 213 Cb 0.88 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xr3 h ALA 213 CO 0.04 0.79 -0.34 0.35 0.00 0.00 0.00 179.25 180.08 1xr3 h PHE 214 N 0.28 -0.89 0.00 0.00 3.57 -0.66 -0.96 116.94 118.28 1xr3 h PHE 214 Ca -0.08 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xr3 h PHE 214 Cb 1.55 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 40.58 1xr3 h PHE 214 CO 0.07 -0.53 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.18 1xr3 h ASP 215 N -1.17 0.00 0.12 0.41 5.19 -1.14 0.40 116.42 120.23 1xr3 h ASP 215 Ca -0.10 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.10 1xr3 h ASP 215 Cb 0.76 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.28 1xr3 h ASP 215 CO 0.16 0.00 -1.00 -0.09 -3.12 0.00 0.00 179.24 175.19 1xr3 h ARG 216 N 0.00 0.26 -0.14 3.56 9.65 -1.14 -3.14 114.38 123.44 1xr3 h ARG 216 Ca -0.00 -0.45 -0.10 0.00 -1.10 0.00 0.00 59.98 58.34 1xr3 h ARG 216 Cb 0.01 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1xr3 h ARG 216 CO 0.00 1.21 -0.30 0.82 2.80 0.00 0.00 179.97 184.51 1xr3 h ILE 217 N -0.39 1.37 -0.49 1.20 2.04 -0.89 -3.12 117.51 117.22 1xr3 h ILE 217 Ca -0.20 -1.57 0.11 0.00 1.00 0.00 0.00 64.86 64.20 1xr3 h ILE 217 Cb 1.65 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.74 1xr3 h ILE 217 CO 0.10 0.47 0.34 0.74 0.00 0.00 0.00 178.15 179.80 1xr3 h THR 218 N 0.05 0.85 0.00 -0.27 2.02 -1.09 -0.25 112.91 114.21 1xr3 h THR 218 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xr3 h THR 218 Cb 0.90 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1xr3 h THR 218 CO 0.07 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1xr3 h ALA 219 N 1.75 1.00 -0.00 6.16 0.00 -1.49 -2.82 119.26 123.87 1xr3 h ALA 219 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1xr3 h ALA 219 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xr3 h ALA 219 CO -0.04 0.00 -0.84 0.00 0.00 0.00 0.00 179.25 178.37 1xr3 h ARG 220 N 0.00 0.14 -6.60 0.00 2.47 -1.14 -3.45 114.38 105.80 1xr3 h ARG 220 Ca 0.00 -0.15 -0.52 0.00 -1.26 0.00 0.00 59.98 58.05 1xr3 h ARG 220 Cb 0.40 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1xr3 h ARG 220 CO 0.00 0.90 0.43 0.08 0.56 0.00 0.00 179.97 181.94 1xr3 s VAL 221 N -3.22 4.19 0.25 2.04 1.01 -1.06 -4.96 120.40 118.64 1xr3 s VAL 221 Ca -0.02 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 1xr3 s VAL 221 Cb 0.11 -4.17 0.23 0.00 0.00 0.00 0.00 36.38 32.55 1xr3 s VAL 221 CO 0.82 0.29 1.82 -0.65 0.00 0.00 0.00 175.10 177.37 1xr3 h PRO 222 N 5.44 0.85 0.00 2.72 0.11 -1.82 -0.68 132.00 138.62 1xr3 h PRO 222 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xr3 h PRO 222 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xr3 h PRO 222 CO 0.73 0.56 0.00 0.44 -0.21 0.00 0.00 178.00 179.52 1xr3 n ILE 223 N -4.69 0.07 -2.06 4.15 -5.35 -0.57 -4.92 119.36 105.99 1xr3 n ILE 223 Ca 0.15 0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.55 1xr3 n ILE 223 Cb 0.28 -0.56 -0.01 0.00 -1.74 0.00 0.00 39.64 37.61 1xr3 n ILE 223 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xr3 n GLY 224 N 0.98 0.13 3.74 3.28 0.00 -0.26 -5.01 105.19 108.05 1xr3 n GLY 224 Ca 0.16 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1xr3 n GLY 224 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xr3 s ARG 225 N -4.25 1.55 0.48 1.61 1.70 -1.25 -4.81 118.95 113.99 1xr3 s ARG 225 Ca 0.00 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.27 1xr3 s ARG 225 Cb 0.00 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 1xr3 s ARG 225 CO 0.00 -0.70 0.99 0.71 -1.08 0.00 0.00 175.30 175.21 1xr3 s TYR 226 N -3.74 3.28 0.36 5.89 2.02 -1.26 -4.87 117.35 119.02 1xr3 s TYR 226 Ca 0.09 1.55 -0.23 0.00 -0.37 0.00 0.00 57.07 58.10 1xr3 s TYR 226 Cb -0.04 -2.88 -0.10 0.00 -0.40 0.00 0.00 41.96 38.54 1xr3 s TYR 226 CO 0.02 -0.41 0.93 0.08 -1.57 0.00 0.00 175.55 174.60 1xr3 s VAL 227 N -2.33 4.32 0.00 0.71 1.01 0.14 -4.82 120.40 119.44 1xr3 s VAL 227 Ca 0.62 1.63 -0.10 0.00 0.00 0.00 0.00 61.98 64.13 1xr3 s VAL 227 Cb -0.11 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1xr3 s VAL 227 CO 0.23 -0.05 0.32 -1.10 0.00 0.00 0.00 175.10 174.50 1xr3 s GLN 228 N -2.54 3.71 0.30 2.72 -1.52 -1.26 -1.01 119.66 120.05 1xr3 s GLN 228 Ca 0.55 0.14 0.05 0.00 -1.95 0.00 0.00 55.36 54.15 1xr3 s GLN 228 Cb -0.14 -3.12 0.74 0.00 -0.22 0.00 0.00 33.01 30.27 1xr3 s GLN 228 CO 0.19 0.66 1.74 -1.35 -0.25 0.00 0.00 175.29 176.28 1xr3 h PRO 229 N 4.32 0.58 -0.68 2.91 0.11 -1.95 0.16 132.00 137.46 1xr3 h PRO 229 Ca -0.51 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.63 1xr3 h PRO 229 Cb 1.21 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1xr3 h PRO 229 CO 0.63 0.39 0.45 0.66 -0.21 0.00 0.00 178.00 179.92 1xr3 h SER 230 N 0.60 0.58 0.44 -2.05 4.64 -1.94 -0.01 113.55 115.81 1xr3 h SER 230 Ca 0.57 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.82 1xr3 h SER 230 Cb 0.99 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1xr3 h SER 230 CO -0.44 0.37 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.18 1xr3 h GLU 231 N 0.66 0.00 0.03 4.77 5.08 -1.07 0.11 114.58 124.15 1xr3 h GLU 231 Ca 0.30 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.38 1xr3 h GLU 231 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1xr3 h GLU 231 CO -0.10 0.38 -1.08 0.28 -1.00 0.00 0.00 179.01 177.49 1xr3 h VAL 232 N 0.00 1.29 -0.51 3.13 2.07 -0.88 -3.06 116.25 118.29 1xr3 h VAL 232 Ca -0.00 -2.30 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 1xr3 h VAL 232 Cb 0.70 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1xr3 h VAL 232 CO 0.05 0.71 0.05 0.00 0.02 0.00 0.00 177.57 178.40 1xr3 h ALA 233 N 0.40 1.14 -0.85 1.67 0.00 -0.85 -2.41 119.26 118.35 1xr3 h ALA 233 Ca -0.14 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1xr3 h ALA 233 Cb 1.74 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1xr3 h ALA 233 CO 0.21 0.56 0.49 1.49 0.00 0.00 0.00 179.25 182.01 1xr3 h GLU 234 N 0.77 0.79 -0.47 0.00 4.57 -0.73 0.12 114.58 119.63 1xr3 h GLU 234 Ca 0.16 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1xr3 h GLU 234 Cb 0.39 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1xr3 h GLU 234 CO 0.01 0.52 -0.21 1.98 -1.18 0.00 0.00 179.01 180.13 1xr3 h MET 235 N 0.82 0.97 -0.51 1.92 4.05 -1.35 -2.27 114.93 118.54 1xr3 h MET 235 Ca 0.41 -0.41 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1xr3 h MET 235 Cb 0.38 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1xr3 h MET 235 CO -0.25 1.08 0.04 0.28 0.23 0.00 0.00 176.91 178.28 1xr3 h VAL 236 N 0.84 1.26 -0.05 -5.77 2.07 -0.87 -2.18 116.25 111.53 1xr3 h VAL 236 Ca 0.11 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1xr3 h VAL 236 Cb 0.78 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1xr3 h VAL 236 CO 0.06 0.36 -0.09 0.00 0.02 0.00 0.00 177.57 177.93 1xr3 h ALA 237 N 0.96 -0.05 -0.11 1.67 0.00 -0.62 -1.84 119.26 119.28 1xr3 h ALA 237 Ca 0.15 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1xr3 h ALA 237 Cb 0.47 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1xr3 h ALA 237 CO 0.02 -0.56 -0.20 -0.92 0.00 0.00 0.00 179.25 177.59 1xr3 h TYR 238 N -0.12 -0.53 -0.34 0.00 3.20 -1.24 -2.12 116.97 115.81 1xr3 h TYR 238 Ca 0.05 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1xr3 h TYR 238 Cb 0.20 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1xr3 h TYR 238 CO -0.18 -0.28 0.24 -0.07 -1.64 0.00 0.00 178.16 176.23 1xr3 h LEU 239 N -0.27 0.09 -0.37 2.82 3.38 -1.13 -2.64 115.31 117.19 1xr3 h LEU 239 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1xr3 h LEU 239 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xr3 h LEU 239 CO -0.27 0.05 -0.40 0.40 0.09 0.00 0.00 178.44 178.32 1xr3 h ILE 240 N 0.10 0.77 -3.66 1.22 5.03 -0.66 -3.44 117.51 116.85 1xr3 h ILE 240 Ca 0.16 -1.84 -0.43 0.00 -0.12 0.00 0.00 64.86 62.63 1xr3 h ILE 240 Cb 0.51 2.20 0.18 0.00 -3.03 0.00 0.00 36.82 36.68 1xr3 h ILE 240 CO -0.02 0.40 0.15 -0.83 -0.68 0.00 0.00 178.15 177.17 1xr3 s GLY 241 N -4.40 1.57 0.25 5.37 0.00 -1.00 -4.98 107.32 104.13 1xr3 s GLY 241 Ca 0.03 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.15 1xr3 s GLY 241 CO 0.71 0.11 1.60 -0.56 0.00 0.00 0.00 173.10 174.96 1xr3 h PRO 242 N -2.28 0.28 0.00 2.90 0.13 -1.90 -3.13 132.00 128.00 1xr3 h PRO 242 Ca -0.51 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1xr3 h PRO 242 Cb 1.32 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1xr3 h PRO 242 CO 0.47 0.74 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 1xr3 n GLY 243 N 0.10 -0.66 1.03 1.56 0.00 -1.26 -2.63 105.19 103.33 1xr3 n GLY 243 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1xr3 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr3 n ALA 244 N -0.99 3.25 0.22 4.61 0.00 -1.18 -4.56 120.51 121.86 1xr3 n ALA 244 Ca 0.15 -2.37 0.08 0.00 0.00 0.00 0.00 53.44 51.30 1xr3 n ALA 244 Cb 0.07 -0.77 0.52 0.00 0.00 0.00 0.00 19.45 19.28 1xr3 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xr3 h ALA 245 N 1.89 1.30 0.00 0.00 0.00 -1.69 -2.71 119.26 118.05 1xr3 h ALA 245 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1xr3 h ALA 245 Cb 1.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1xr3 h ALA 245 CO 0.28 0.30 -0.56 0.00 0.00 0.00 0.00 179.25 179.27 1xr3 h ALA 246 N 1.76 0.82 -2.17 0.00 0.00 -1.86 -3.44 119.26 114.37 1xr3 h ALA 246 Ca -0.00 -0.51 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1xr3 h ALA 246 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1xr3 h ALA 246 CO 0.03 0.71 0.63 0.08 0.00 0.00 0.00 179.25 180.70 1xr3 s VAL 247 N -3.34 4.75 0.05 0.00 1.01 -1.02 -5.02 120.40 116.82 1xr3 s VAL 247 Ca 0.01 1.77 -0.26 0.00 0.00 0.00 0.00 61.98 63.49 1xr3 s VAL 247 Cb 0.11 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.33 1xr3 s VAL 247 CO 0.74 -0.15 0.61 0.28 0.00 0.00 0.00 175.10 176.58 1xr3 s THR 248 N 3.05 0.01 -1.46 3.92 -1.32 -1.26 -4.76 115.64 113.82 1xr3 s THR 248 Ca 0.39 -0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.72 1xr3 s THR 248 Cb -0.15 -0.99 0.05 0.00 -1.51 0.00 0.00 72.50 69.90 1xr3 s THR 248 CO 0.07 -0.03 0.87 0.00 -2.21 0.00 0.00 174.62 173.32 1xr3 n ALA 249 N 0.32 -1.18 -2.46 11.08 0.00 0.58 -4.95 120.51 123.89 1xr3 n ALA 249 Ca -0.18 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1xr3 n ALA 249 Cb 0.61 -4.33 -0.12 0.00 0.00 0.00 0.00 19.45 15.61 1xr3 n ALA 249 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xr3 s GLN 250 N -6.25 1.68 -0.26 0.00 -1.52 -1.26 -4.66 119.66 107.39 1xr3 s GLN 250 Ca 0.53 -1.23 0.02 0.00 -1.95 0.00 0.00 55.36 52.74 1xr3 s GLN 250 Cb -0.25 -2.06 0.06 0.00 -0.22 0.00 0.00 33.01 30.54 1xr3 s GLN 250 CO 0.65 0.47 -0.10 0.00 -0.25 0.00 0.00 175.29 176.06 1xr3 s ALA 251 N -1.12 2.58 -0.07 6.09 0.00 -1.26 -0.81 121.76 127.16 1xr3 s ALA 251 Ca 0.17 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 1xr3 s ALA 251 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1xr3 s ALA 251 CO 0.09 -1.17 0.06 -0.51 0.00 0.00 0.00 175.76 174.23 1xr3 s LEU 252 N 1.12 3.89 -0.12 0.00 1.02 0.10 -4.91 118.68 119.78 1xr3 s LEU 252 Ca -0.08 0.24 -0.05 0.00 0.02 0.00 0.00 54.13 54.25 1xr3 s LEU 252 Cb -0.20 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 1xr3 s LEU 252 CO -0.05 0.36 0.08 0.20 0.02 0.00 0.00 176.35 176.96 1xr3 s ASN 253 N -1.14 5.90 -0.57 2.29 0.01 -1.26 0.19 114.94 120.36 1xr3 s ASN 253 Ca 0.16 0.30 0.04 0.00 -0.71 0.00 0.00 52.86 52.65 1xr3 s ASN 253 Cb -0.12 -1.86 0.16 0.00 0.41 0.00 0.00 41.25 39.84 1xr3 s ASN 253 CO 0.06 0.36 0.38 -0.69 -1.51 0.00 0.00 177.10 175.69 1xr3 s VAL 254 N -0.74 2.06 -0.03 1.60 1.01 -0.74 -4.91 120.40 118.64 1xr3 s VAL 254 Ca 0.13 -3.46 0.08 0.00 0.00 0.00 0.00 61.98 58.72 1xr3 s VAL 254 Cb -0.12 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 34.00 1xr3 s VAL 254 CO 0.03 -0.99 1.06 0.00 0.00 0.00 0.00 175.10 175.19 1xr3 n GLY 256 N -0.28 1.73 0.00 0.00 0.00 -1.26 -1.78 105.19 103.61 1xr3 n GLY 256 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xr3 n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr3 n GLY 257 N -0.33 2.59 0.36 -0.02 0.00 -1.26 -1.51 105.19 105.02 1xr3 n GLY 257 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1xr3 n GLY 257 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xr3 h LEU 258 N 0.00 0.88 -9.75 0.99 7.12 -1.73 -3.43 115.31 109.39 1xr3 h LEU 258 Ca 0.00 0.06 -0.55 0.00 0.13 0.00 0.00 57.88 57.53 1xr3 h LEU 258 Cb 0.00 -0.11 0.08 0.00 -0.53 0.00 0.00 40.66 40.11 1xr3 h LEU 258 CO 0.00 0.42 0.82 0.61 -0.13 0.00 0.00 178.44 180.16 1xr3 n GLY 259 N -1.34 1.20 0.08 3.75 0.00 -1.26 -4.93 105.19 102.69 1xr3 n GLY 259 Ca 0.20 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 1xr3 n GLY 259 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xr3 n ASN 260 N 2.15 1.23 0.00 1.61 5.15 -1.26 -5.12 115.26 119.03 1xr3 n ASN 260 Ca 0.09 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1xr3 n ASN 260 Cb 0.35 0.80 0.00 0.00 -0.53 0.00 0.00 39.78 40.41 1xr3 n ASN 260 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66