#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi n SER 2 N 0.00 -6.23 -1.69 7.83 3.41 -1.26 -4.68 113.62 110.99 1nxi n SER 2 Ca 0.00 0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1nxi n SER 2 Cb 0.00 -1.99 -0.06 0.00 -0.26 0.00 0.00 64.21 61.89 1nxi n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi n HIS 3 N 0.52 0.02 -2.39 7.33 -0.00 -1.26 -4.67 115.22 114.77 1nxi n HIS 3 Ca -0.03 -1.20 -0.42 0.00 -0.00 0.00 0.00 57.72 56.07 1nxi n HIS 3 Cb 0.55 -0.92 0.00 0.00 -0.00 0.00 0.00 29.99 29.63 1nxi n HIS 3 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1nxi n GLN 4 N 1.87 3.91 -2.89 -1.40 -0.06 -1.26 -4.65 117.38 112.90 1nxi n GLN 4 Ca 0.17 -3.69 -0.13 0.00 -2.00 0.00 0.00 57.00 51.35 1nxi n GLN 4 Cb 0.66 -2.82 0.02 0.00 -4.06 0.00 0.00 30.24 24.04 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nxi n ASP 5 N 3.12 -1.79 -3.41 1.69 8.00 -1.26 -5.04 116.55 117.87 1nxi n ASP 5 Ca 0.41 -3.20 -0.27 0.00 0.71 0.00 0.00 54.79 52.44 1nxi n ASP 5 Cb 0.34 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.41 1nxi n ASP 5 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nxi n ASP 6 N 1.28 -0.13 -4.44 -2.24 8.00 -1.26 -5.06 116.55 112.69 1nxi n ASP 6 Ca 0.13 -2.48 -0.44 0.00 0.71 0.00 0.00 54.79 52.71 1nxi n ASP 6 Cb 0.62 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1nxi n ASP 6 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1nxi s TYR 7 N -0.21 2.89 -0.41 1.24 2.02 -1.26 -4.88 117.35 116.74 1nxi s TYR 7 Ca 0.33 -0.94 0.07 0.00 -0.37 0.00 0.00 57.07 56.16 1nxi s TYR 7 Cb 0.05 -4.26 0.23 0.00 -0.40 0.00 0.00 41.96 37.58 1nxi s TYR 7 CO -0.19 -1.55 0.54 -0.11 -1.57 0.00 0.00 175.55 172.68 1nxi n LEU 8 N 7.09 -0.52 -2.69 -1.29 7.94 -1.26 -4.96 117.00 121.31 1nxi n LEU 8 Ca 0.07 -4.37 -0.05 0.00 -1.11 0.00 0.00 56.01 50.55 1nxi n LEU 8 Cb 0.47 0.65 0.10 0.00 0.53 0.00 0.00 43.42 45.17 1nxi n LEU 8 CO 0.58 2.01 0.58 -1.20 -1.11 0.00 0.00 177.39 178.25 1nxi n SER 9 N 1.80 -1.67 -0.32 1.96 7.64 -1.26 -4.99 113.62 116.78 1nxi n SER 9 Ca 0.21 -2.58 0.28 0.00 1.01 0.00 0.00 58.87 57.79 1nxi n SER 9 Cb 0.53 1.46 0.49 0.00 -1.01 0.00 0.00 64.21 65.68 1nxi n SER 9 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1nxi n VAL 10 N 0.45 -0.21 -0.34 0.44 0.24 -1.26 0.25 118.33 117.89 1nxi n VAL 10 Ca -0.01 1.37 0.24 0.00 -2.04 0.00 0.00 64.34 63.89 1nxi n VAL 10 Cb 0.73 -2.24 0.50 0.00 -1.47 0.00 0.00 33.84 31.37 1nxi n VAL 10 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1nxi h GLU 11 N 0.00 0.37 0.20 7.34 5.08 -1.99 0.27 114.58 125.85 1nxi h GLU 11 Ca 0.64 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.97 1nxi h GLU 11 Cb 2.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1nxi h GLU 11 CO -0.39 0.25 -0.10 0.93 -1.00 0.00 0.00 179.01 178.70 1nxi h GLU 12 N 0.39 -0.26 -0.80 2.33 4.39 0.28 -2.63 114.58 118.28 1nxi h GLU 12 Ca 0.63 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.51 1nxi h GLU 12 Cb 1.59 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 30.20 1nxi h GLU 12 CO -0.35 0.09 0.35 -0.07 -1.16 0.00 0.00 179.01 177.87 1nxi h LEU 13 N -0.95 0.36 -0.36 1.33 3.38 -1.29 0.22 115.31 117.99 1nxi h LEU 13 Ca -0.03 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nxi h LEU 13 Cb 0.47 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1nxi h LEU 13 CO 0.04 0.12 0.18 0.40 0.09 0.00 0.00 178.44 179.28 1nxi h ILE 14 N 0.49 0.99 0.64 1.22 2.04 -0.57 -2.19 117.51 120.13 1nxi h ILE 14 Ca 0.45 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 1nxi h ILE 14 Cb 0.70 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1nxi h ILE 14 CO -0.41 0.07 -0.48 -0.08 0.00 0.00 0.00 178.15 177.25 1nxi h GLU 15 N 0.37 -1.04 0.00 2.37 4.57 -0.60 -1.63 114.58 118.62 1nxi h GLU 15 Ca 0.15 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1nxi h GLU 15 Cb 0.05 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1nxi h GLU 15 CO -0.10 -0.69 0.00 -0.89 -1.18 0.00 0.00 179.01 176.15 1nxi n ILE 16 N -5.59 0.00 -0.40 2.32 5.41 -0.62 -0.03 119.36 120.45 1nxi n ILE 16 Ca -0.13 1.22 0.34 0.00 1.00 0.00 0.00 62.75 65.18 1nxi n ILE 16 Cb 0.47 -1.87 0.56 0.00 -0.71 0.00 0.00 39.64 38.09 1nxi n ILE 16 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1nxi n GLN 17 N -1.68 -0.03 0.35 0.38 -0.06 -0.84 0.67 117.38 116.17 1nxi n GLN 17 Ca 0.00 0.99 -0.18 0.00 -2.00 0.00 0.00 57.00 55.81 1nxi n GLN 17 Cb 0.00 -1.99 -0.09 0.00 -4.06 0.00 0.00 30.24 24.10 1nxi n GLN 17 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1nxi h LYS 18 N 0.00 -0.98 0.54 3.69 1.63 0.58 0.07 116.57 122.10 1nxi h LYS 18 Ca 0.71 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.55 1nxi h LYS 18 Cb 2.37 0.22 0.01 0.00 -0.60 0.00 0.00 32.23 34.23 1nxi h LYS 18 CO -0.34 -0.66 -0.26 1.49 -3.45 0.00 0.00 179.45 176.24 1nxi h GLU 19 N -1.02 -0.69 -0.26 1.90 4.81 0.73 -2.74 114.58 117.30 1nxi h GLU 19 Ca -0.08 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1nxi h GLU 19 Cb 0.85 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1nxi h GLU 19 CO 0.04 -0.46 -0.15 0.93 -0.73 0.00 0.00 179.01 178.63 1nxi h GLU 20 N -0.91 -0.00 -0.81 1.92 5.08 -1.41 0.17 114.58 118.61 1nxi h GLU 20 Ca -0.07 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1nxi h GLU 20 Cb 0.55 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 1nxi h GLU 20 CO 0.12 -0.00 -0.48 2.41 -1.00 0.00 0.00 179.01 180.06 1nxi n THR 21 N -3.59 -0.55 -0.26 1.13 -1.04 0.01 0.49 114.28 110.47 1nxi n THR 21 Ca 0.01 2.12 -0.02 0.00 -2.04 0.00 0.00 64.05 64.11 1nxi n THR 21 Cb 0.07 -2.63 0.04 0.00 -1.82 0.00 0.00 70.33 65.98 1nxi n THR 21 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nxi h ARG 22 N 0.00 -0.08 -0.44 -2.82 2.47 -0.70 0.27 114.38 113.08 1nxi h ARG 22 Ca 0.13 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.95 1nxi h ARG 22 Cb 0.33 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 1nxi h ARG 22 CO -0.76 -0.05 -0.19 -0.44 0.56 0.00 0.00 179.97 179.08 1nxi h ASP 23 N -0.08 -0.66 0.55 7.04 3.32 0.14 0.59 116.42 127.32 1nxi h ASP 23 Ca 0.30 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 1nxi h ASP 23 Cb 0.57 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1nxi h ASP 23 CO -0.78 -0.22 -0.37 0.40 -1.72 0.00 0.00 179.24 176.55 1nxi h ILE 24 N -0.10 0.25 -1.00 0.35 2.04 0.50 -1.84 117.51 117.71 1nxi h ILE 24 Ca 0.21 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.35 1nxi h ILE 24 Cb 0.43 0.25 -0.13 0.00 -0.74 0.00 0.00 36.82 36.62 1nxi h ILE 24 CO -0.51 0.00 0.57 0.40 0.00 0.00 0.00 178.15 178.61 1nxi h ILE 25 N -0.88 0.44 0.10 -0.67 1.08 -0.21 0.16 117.51 117.52 1nxi h ILE 25 Ca -0.06 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1nxi h ILE 25 Cb 0.73 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1nxi h ILE 25 CO 0.04 0.08 -0.14 1.56 -0.69 0.00 0.00 178.15 179.00 1nxi h GLN 26 N 0.47 -0.28 0.49 2.37 1.08 -0.09 0.14 115.11 119.29 1nxi h GLN 26 Ca 0.68 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.87 1nxi h GLN 26 Cb 1.39 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1nxi h GLN 26 CO -0.53 -0.19 -0.24 0.00 -0.95 0.00 0.00 178.83 176.92 1nxi h ALA 27 N 0.57 -0.66 -0.65 3.87 0.00 -0.30 0.86 119.26 122.94 1nxi h ALA 27 Ca 0.02 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1nxi h ALA 27 Cb 0.30 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 1nxi h ALA 27 CO -0.07 -0.85 -0.01 1.25 0.00 0.00 0.00 179.25 179.57 1nxi h LEU 28 N -0.71 -0.32 0.30 0.00 6.46 -0.91 -0.48 115.31 119.66 1nxi h LEU 28 Ca -0.07 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1nxi h LEU 28 Cb 0.53 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1nxi h LEU 28 CO 0.11 -0.14 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.58 1nxi h LEU 29 N 0.11 -0.34 -1.06 2.25 3.38 -0.41 -2.58 115.31 116.66 1nxi h LEU 29 Ca 0.34 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.70 1nxi h LEU 29 Cb 0.57 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 1nxi h LEU 29 CO -0.57 -0.22 0.66 1.21 0.09 0.00 0.00 178.44 179.60 1nxi n GLU 30 N -3.19 -0.03 0.11 1.13 2.13 0.27 0.42 120.64 121.47 1nxi n GLU 30 Ca -0.05 1.05 0.10 0.00 0.66 0.00 0.00 57.16 58.92 1nxi n GLU 30 Cb 0.16 -2.02 0.59 0.00 0.27 0.00 0.00 31.44 30.44 1nxi n GLU 30 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1nxi h ASP 31 N 0.00 0.14 0.00 4.31 1.82 -0.68 -3.45 116.42 118.57 1nxi h ASP 31 Ca 0.71 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.35 1nxi h ASP 31 Cb 2.21 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.19 1nxi h ASP 31 CO -0.44 0.10 0.00 0.61 -1.61 0.00 0.00 179.24 177.90 1nxi n GLY 32 N -1.54 0.94 3.25 -0.78 0.00 1.41 -5.11 105.19 103.34 1nxi n GLY 32 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1nxi n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nxi n SER 33 N 0.00 -2.42 -4.10 1.61 7.64 -1.17 -5.01 113.62 110.16 1nxi n SER 33 Ca 0.00 -0.13 -0.17 0.00 1.01 0.00 0.00 58.87 59.58 1nxi n SER 33 Cb 0.00 -0.91 -0.13 0.00 -1.01 0.00 0.00 64.21 62.16 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1nxi s ASP 34 N -1.77 1.30 0.32 6.43 1.11 -1.26 -4.88 116.67 117.91 1nxi s ASP 34 Ca 0.54 -0.47 0.26 0.00 0.18 0.00 0.00 52.55 53.06 1nxi s ASP 34 Cb -0.10 -0.05 1.04 0.00 1.07 0.00 0.00 42.92 44.89 1nxi s ASP 34 CO 0.66 -0.06 1.77 1.55 1.18 0.00 0.00 175.17 180.28 1nxi h PRO 35 N 4.81 0.00 -0.01 8.23 0.13 -1.95 -2.61 132.00 140.60 1nxi h PRO 35 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1nxi h PRO 35 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nxi h PRO 35 CO 0.43 0.00 -0.52 -0.40 -0.23 0.00 0.00 178.00 177.28 1nxi n ASP 36 N -2.44 1.18 0.00 1.44 5.75 -1.26 -3.95 116.55 117.28 1nxi n ASP 36 Ca 0.02 -0.95 0.07 0.00 -0.01 0.00 0.00 54.79 53.92 1nxi n ASP 36 Cb 0.27 0.43 0.32 0.00 -1.03 0.00 0.00 41.12 41.11 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nxi n ALA 37 N -0.83 1.70 -1.95 2.12 0.00 -0.98 -4.97 120.51 115.60 1nxi n ALA 37 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nxi n ALA 37 Cb 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1nxi n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nxi n LEU 38 N -1.45 -5.43 -4.43 0.00 4.77 -1.25 -4.99 117.00 104.22 1nxi n LEU 38 Ca 0.04 3.03 -0.30 0.00 -0.03 0.00 0.00 56.01 58.76 1nxi n LEU 38 Cb 0.16 -3.01 -0.13 0.00 -2.33 0.00 0.00 43.42 38.12 1nxi n LEU 38 CO 0.13 -1.06 -0.52 -0.31 -1.33 0.00 0.00 177.39 174.30 1nxi s TYR 39 N -1.21 2.45 -0.42 -1.77 1.51 -0.09 -4.95 117.35 112.86 1nxi s TYR 39 Ca 0.00 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 1nxi s TYR 39 Cb 0.00 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1nxi s TYR 39 CO 0.00 0.30 0.36 -1.21 -1.11 0.00 0.00 175.55 173.89 1nxi s GLU 40 N -1.81 3.01 0.38 -0.62 2.02 -1.26 -1.49 118.70 118.94 1nxi s GLU 40 Ca 0.15 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 53.91 1nxi s GLU 40 Cb -0.10 -4.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.04 1nxi s GLU 40 CO 0.07 -0.82 1.02 0.42 0.02 0.00 0.00 175.26 175.97 1nxi s ILE 41 N 1.83 3.86 -0.02 -1.63 -1.09 -0.64 -3.89 121.20 119.61 1nxi s ILE 41 Ca 0.07 1.43 0.05 0.00 -2.23 0.00 0.00 60.65 59.98 1nxi s ILE 41 Cb -0.19 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1nxi s ILE 41 CO 0.11 0.02 -0.18 -0.70 -1.23 0.00 0.00 174.94 172.96 1nxi s GLU 42 N -2.43 1.50 -0.03 2.79 2.12 -0.72 -2.00 118.70 119.92 1nxi s GLU 42 Ca 0.56 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1nxi s GLU 42 Cb -0.21 -1.42 0.02 0.00 0.26 0.00 0.00 34.13 32.78 1nxi s GLU 42 CO 0.26 0.36 -0.04 -1.01 -0.54 0.00 0.00 175.26 174.29 1nxi s HIS 43 N -0.34 0.61 -0.18 5.30 3.76 0.30 -2.29 115.29 122.44 1nxi s HIS 43 Ca 0.05 -0.14 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 1nxi s HIS 43 Cb -0.08 -0.53 -0.05 0.00 1.11 0.00 0.00 32.58 33.04 1nxi s HIS 43 CO -0.00 -0.13 0.11 -1.01 -0.85 0.00 0.00 174.74 172.86 1nxi s HIS 44 N 0.62 3.37 -0.02 1.40 3.76 -0.03 -0.49 115.29 123.91 1nxi s HIS 44 Ca -0.08 0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1nxi s HIS 44 Cb -0.11 -2.10 0.02 0.00 1.11 0.00 0.00 32.58 31.50 1nxi s HIS 44 CO -0.00 0.30 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.67 1nxi s LEU 45 N 0.18 1.42 0.20 0.89 1.02 -0.67 -3.97 118.68 117.75 1nxi s LEU 45 Ca 0.07 -0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1nxi s LEU 45 Cb -0.12 -0.22 -0.05 0.00 0.02 0.00 0.00 46.19 45.82 1nxi s LEU 45 CO -0.01 -0.06 -0.14 0.72 0.02 0.00 0.00 176.35 176.89 1nxi s PHE 46 N 0.69 1.64 0.30 0.29 -0.71 -1.26 -1.09 117.98 117.85 1nxi s PHE 46 Ca -0.07 -0.60 0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1nxi s PHE 46 Cb -0.10 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.90 1nxi s PHE 46 CO -0.01 0.31 0.24 0.00 -1.34 0.00 0.00 175.22 174.43 1nxi s ALA 47 N -3.03 1.73 -0.18 1.99 0.00 -1.03 -3.26 121.76 117.98 1nxi s ALA 47 Ca 0.22 -1.98 0.07 0.00 0.00 0.00 0.00 51.96 50.26 1nxi s ALA 47 Cb -0.00 1.45 -0.09 0.00 0.00 0.00 0.00 23.12 24.48 1nxi s ALA 47 CO 0.06 -0.64 0.23 0.39 0.00 0.00 0.00 175.76 175.79 1nxi n GLU 48 N -0.55 2.75 -3.84 0.00 -0.58 -1.26 -3.96 120.64 113.19 1nxi n GLU 48 Ca 0.06 -0.03 -0.36 0.00 -0.42 0.00 0.00 57.16 56.42 1nxi n GLU 48 Cb 0.63 -0.97 -0.13 0.00 -0.57 0.00 0.00 31.44 30.39 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nxi s ASP 49 N -2.16 4.64 0.27 1.62 1.01 -1.26 -4.98 116.67 115.81 1nxi s ASP 49 Ca 0.00 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1nxi s ASP 49 Cb 0.05 -1.81 0.56 0.00 1.01 0.00 0.00 42.92 42.73 1nxi s ASP 49 CO 0.28 -0.04 1.78 -0.26 0.21 0.00 0.00 175.17 177.15 1nxi h PHE 50 N 8.16 0.88 0.42 4.23 -1.00 -1.99 0.17 116.94 127.81 1nxi h PHE 50 Ca -0.40 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.40 1nxi h PHE 50 Cb 1.16 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.47 1nxi h PHE 50 CO 0.62 0.24 -0.20 0.22 -1.61 0.00 0.00 178.31 177.58 1nxi h ASP 51 N 0.71 -0.48 -1.29 2.17 3.58 -2.00 -2.76 116.42 116.35 1nxi h ASP 51 Ca 0.48 0.02 0.38 0.00 0.42 0.00 0.00 57.03 58.33 1nxi h ASP 51 Cb 0.65 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.75 1nxi h ASP 51 CO -0.34 -0.08 0.89 0.50 -2.88 0.00 0.00 179.24 177.32 1nxi h LYS 52 N -1.07 0.11 0.22 0.28 1.63 -1.91 -0.16 116.57 115.67 1nxi h LYS 52 Ca -0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1nxi h LYS 52 Cb 0.43 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1nxi h LYS 52 CO 0.09 0.07 -0.10 1.25 -3.45 0.00 0.00 179.45 177.31 1nxi h LEU 53 N 0.11 -0.25 -1.80 5.20 6.46 -0.57 -1.07 115.31 123.39 1nxi h LEU 53 Ca 0.68 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.52 1nxi h LEU 53 Cb 2.37 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 42.35 1nxi h LEU 53 CO -0.16 -0.15 0.49 -0.33 -0.62 0.00 0.00 178.44 177.67 1nxi h GLU 54 N -0.35 0.00 0.46 1.25 5.08 -0.96 0.16 114.58 120.22 1nxi h GLU 54 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nxi h GLU 54 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1nxi h GLU 54 CO 0.05 0.00 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.62 1nxi h LYS 55 N 0.00 -0.59 -0.22 2.33 3.64 -0.67 -1.20 116.57 119.86 1nxi h LYS 55 Ca 0.12 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1nxi h LYS 55 Cb 1.10 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1nxi h LYS 55 CO -0.00 -0.39 -0.08 0.00 -2.27 0.00 0.00 179.45 176.71 1nxi h ALA 56 N -1.17 1.47 -0.21 5.00 0.00 -0.09 -2.03 119.26 122.22 1nxi h ALA 56 Ca -0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1nxi h ALA 56 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nxi h ALA 56 CO 0.10 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 179.45 1nxi h ALA 57 N 1.60 1.13 0.17 0.00 0.00 -0.77 -2.33 119.26 119.06 1nxi h ALA 57 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1nxi h ALA 57 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nxi h ALA 57 CO 0.02 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 180.02 1nxi h VAL 58 N 0.36 0.96 0.02 0.00 2.07 -0.50 -2.40 116.25 116.77 1nxi h VAL 58 Ca 0.05 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1nxi h VAL 58 Cb 0.68 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1nxi h VAL 58 CO 0.05 0.19 -0.36 -0.08 0.02 0.00 0.00 177.57 177.39 1nxi h GLU 59 N -0.66 -0.51 -0.32 1.57 4.57 -1.42 0.18 114.58 118.00 1nxi h GLU 59 Ca -0.02 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1nxi h GLU 59 Cb 0.48 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.11 1nxi h GLU 59 CO 0.04 -0.34 -0.52 0.00 -1.18 0.00 0.00 179.01 177.01 1nxi h ALA 60 N 0.12 -0.73 -0.21 2.92 0.00 -1.46 0.69 119.26 120.59 1nxi h ALA 60 Ca 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1nxi h ALA 60 Cb 0.60 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1nxi h ALA 60 CO -0.27 -1.02 0.21 0.35 0.00 0.00 0.00 179.25 178.52 1nxi h PHE 61 N -0.44 0.00 -0.53 0.00 3.57 -0.95 -0.44 116.94 118.15 1nxi h PHE 61 Ca 0.08 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 1nxi h PHE 61 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1nxi h PHE 61 CO -0.66 0.00 -0.13 -0.22 -2.23 0.00 0.00 178.31 175.07 1nxi h LYS 62 N 0.00 1.03 0.43 1.11 3.64 0.34 -3.24 116.57 119.89 1nxi h LYS 62 Ca 0.10 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1nxi h LYS 62 Cb 0.53 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1nxi h LYS 62 CO -0.00 1.08 -0.21 0.52 -2.27 0.00 0.00 179.45 178.58 1nxi h MET 63 N 0.90 -0.56 0.00 1.90 2.86 -0.04 -3.47 114.93 116.52 1nxi h MET 63 Ca 0.13 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1nxi h MET 63 Cb 0.71 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1nxi h MET 63 CO 0.05 -0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.18 1nxi n GLY 64 N -0.46 0.00 3.15 8.32 0.00 -1.07 -5.14 105.19 109.99 1nxi n GLY 64 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1nxi n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nxi s PHE 65 N 0.00 2.01 -1.16 1.61 0.40 -1.21 -4.85 117.98 114.78 1nxi s PHE 65 Ca 0.00 -0.71 -0.21 0.00 -0.60 0.00 0.00 56.93 55.41 1nxi s PHE 65 Cb 0.00 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 42.10 1nxi s PHE 65 CO 0.00 -0.28 1.90 0.39 0.70 0.00 0.00 175.22 177.93 1nxi n GLU 66 N 3.40 1.97 -1.73 0.44 -0.58 0.14 -4.18 120.64 120.09 1nxi n GLU 66 Ca -0.19 -2.56 -0.42 0.00 -0.42 0.00 0.00 57.16 53.57 1nxi n GLU 66 Cb 0.52 -3.55 -0.00 0.00 -0.57 0.00 0.00 31.44 27.84 1nxi n GLU 66 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1nxi n VAL 67 N 7.15 2.02 -4.89 2.62 3.14 -1.26 -1.84 118.33 125.28 1nxi n VAL 67 Ca 0.47 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 61.03 1nxi n VAL 67 Cb 0.45 -1.76 -0.13 0.00 -1.06 0.00 0.00 33.84 31.34 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1nxi s LEU 68 N -1.52 2.63 0.62 6.55 2.96 1.25 -4.92 118.68 126.25 1nxi s LEU 68 Ca 0.54 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 1nxi s LEU 68 Cb -0.52 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1nxi s LEU 68 CO 0.63 0.32 0.75 1.21 -1.32 0.00 0.00 176.35 177.94 1nxi n GLU 69 N 2.14 0.64 -2.85 1.98 2.13 -1.26 -2.38 120.64 121.05 1nxi n GLU 69 Ca -0.17 0.26 -0.22 0.00 0.66 0.00 0.00 57.16 57.69 1nxi n GLU 69 Cb 0.52 -1.97 0.09 0.00 0.27 0.00 0.00 31.44 30.36 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nxi s ALA 70 N -1.66 4.29 -0.11 4.31 0.00 -1.26 -4.37 121.76 122.95 1nxi s ALA 70 Ca 0.72 -2.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 1nxi s ALA 70 Cb -0.41 -1.66 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1nxi s ALA 70 CO 0.51 -1.25 0.64 -2.00 0.00 0.00 0.00 175.76 173.66 1nxi s GLU 71 N -4.94 0.93 -0.39 0.00 2.12 -1.21 -4.87 118.70 110.35 1nxi s GLU 71 Ca 0.65 0.44 -0.36 0.00 0.36 0.00 0.00 54.97 56.06 1nxi s GLU 71 Cb -0.05 0.44 -0.15 0.00 0.26 0.00 0.00 34.13 34.63 1nxi s GLU 71 CO 0.42 -0.24 1.32 0.39 -0.54 0.00 0.00 175.26 176.62 1nxi n GLU 72 N 1.55 0.00 -4.42 4.30 4.71 -1.26 -3.88 120.64 121.64 1nxi n GLU 72 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.70 1nxi n GLU 72 Cb 0.56 -1.16 -0.09 0.00 -1.01 0.00 0.00 31.44 29.75 1nxi n GLU 72 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1nxi s THR 73 N 2.79 2.04 -0.04 2.62 -4.23 0.19 -4.87 115.64 114.14 1nxi s THR 73 Ca 0.83 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1nxi s THR 73 Cb -1.16 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 69.81 1nxi s THR 73 CO 0.61 0.00 0.06 -0.70 -0.54 0.00 0.00 174.62 174.04 1nxi s GLU 74 N -3.82 -0.07 -0.47 3.99 -6.30 -1.26 -1.59 118.70 109.19 1nxi s GLU 74 Ca 0.35 0.34 0.05 0.00 -2.50 0.00 0.00 54.97 53.21 1nxi s GLU 74 Cb 0.07 -0.44 0.40 0.00 0.00 0.00 0.00 34.13 34.16 1nxi s GLU 74 CO 0.19 -0.29 1.07 -3.47 0.02 0.00 0.00 175.26 172.78 1nxi n ASP 75 N 5.01 4.62 -1.24 -1.70 2.03 -1.26 -4.84 116.55 119.17 1nxi n ASP 75 Ca -0.10 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.51 1nxi n ASP 75 Cb 0.50 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nxi n GLU 76 N -0.42 -1.36 0.00 -0.67 4.71 -1.26 -4.04 120.64 117.59 1nxi n GLU 76 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1nxi n GLU 76 Cb 0.60 -3.69 0.00 0.00 -1.01 0.00 0.00 31.44 27.34 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1nxi n ASP 77 N 0.34 0.00 0.00 1.62 2.03 -1.26 -4.96 116.55 114.32 1nxi n ASP 77 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1nxi n ASP 77 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nxi n GLY 78 N 0.00 0.00 4.38 0.27 0.00 -1.26 -4.98 105.19 103.61 1nxi n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nxi n GLY 78 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nxi n ASN 79 N -2.43 0.00 -2.73 1.61 5.15 -1.26 -4.63 115.26 110.97 1nxi n ASN 79 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1nxi n ASN 79 Cb 0.34 -1.09 0.03 0.00 -0.53 0.00 0.00 39.78 38.53 1nxi n ASN 79 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1nxi n LYS 80 N -2.00 0.45 -4.41 1.20 0.00 -1.05 -4.73 118.16 107.63 1nxi n LYS 80 Ca 0.00 -1.52 -0.21 0.00 0.00 0.00 0.00 58.31 56.58 1nxi n LYS 80 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 35.03 33.96 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1nxi s LEU 81 N 0.36 2.49 -0.13 3.14 2.34 -0.62 -4.85 118.68 121.41 1nxi s LEU 81 Ca 0.29 -1.16 -0.14 0.00 0.06 0.00 0.00 54.13 53.17 1nxi s LEU 81 Cb 0.11 -0.65 -0.05 0.00 -0.56 0.00 0.00 46.19 45.05 1nxi s LEU 81 CO -0.12 -0.31 0.34 -0.76 -1.06 0.00 0.00 176.35 174.44 1nxi s LEU 82 N -3.42 4.29 -0.21 1.48 1.02 -1.25 0.53 118.68 121.11 1nxi s LEU 82 Ca 0.28 0.63 -0.02 0.00 0.02 0.00 0.00 54.13 55.04 1nxi s LEU 82 Cb 0.03 -2.45 0.07 0.00 0.02 0.00 0.00 46.19 43.86 1nxi s LEU 82 CO 0.11 0.13 0.04 0.00 0.02 0.00 0.00 176.35 176.65 1nxi s PHE 84 N 1.82 3.05 0.14 0.00 -0.71 -0.25 -3.29 117.98 118.74 1nxi s PHE 84 Ca 0.01 -0.18 0.08 0.00 -1.04 0.00 0.00 56.93 55.79 1nxi s PHE 84 Cb -0.17 -2.17 -0.04 0.00 -1.21 0.00 0.00 43.02 39.43 1nxi s PHE 84 CO -0.11 -0.20 -0.18 -0.51 -1.34 0.00 0.00 175.22 172.87 1nxi s ASP 85 N -4.23 2.57 -0.00 1.98 1.01 -1.00 -1.67 116.67 115.32 1nxi s ASP 85 Ca 0.48 -0.81 0.05 0.00 0.71 0.00 0.00 52.55 52.98 1nxi s ASP 85 Cb -0.10 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 1nxi s ASP 85 CO 0.33 -0.03 -0.16 0.00 0.21 0.00 0.00 175.17 175.52 1nxi s ALA 86 N -1.85 1.36 0.23 5.23 0.00 0.36 0.39 121.76 127.49 1nxi s ALA 86 Ca 0.13 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1nxi s ALA 86 Cb -0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1nxi s ALA 86 CO 0.06 0.32 -0.16 0.95 0.00 0.00 0.00 175.76 176.93 1nxi s THR 87 N -0.48 1.97 -0.28 0.00 -4.23 -0.76 -0.54 115.64 111.31 1nxi s THR 87 Ca 0.06 -2.27 -0.09 0.00 -1.18 0.00 0.00 61.69 58.21 1nxi s THR 87 Cb -0.07 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.74 1nxi s THR 87 CO -0.00 -0.51 0.60 -0.32 -0.54 0.00 0.00 174.62 173.85 1nxi s MET 88 N -3.61 0.53 0.04 3.99 1.75 -0.85 0.24 119.30 121.40 1nxi s MET 88 Ca 0.25 1.36 -0.30 0.00 -1.25 0.00 0.00 55.69 55.75 1nxi s MET 88 Cb -0.02 0.76 -0.05 0.00 2.84 0.00 0.00 34.83 38.36 1nxi s MET 88 CO 0.10 -0.23 1.22 -0.65 -0.65 0.00 0.00 175.02 174.81 1nxi s GLN 89 N 2.84 4.41 -0.04 4.11 1.11 -1.26 -1.62 119.66 129.21 1nxi s GLN 89 Ca -0.04 1.77 -0.29 0.00 0.01 0.00 0.00 55.36 56.81 1nxi s GLN 89 Cb -0.12 -3.39 0.10 0.00 -1.01 0.00 0.00 33.01 28.60 1nxi s GLN 89 CO -0.18 -0.31 0.88 -1.54 0.01 0.00 0.00 175.29 174.16 1nxi s SER 90 N 1.17 -0.40 1.31 5.90 1.04 -0.55 -4.97 113.70 117.19 1nxi s SER 90 Ca 0.59 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 57.00 1nxi s SER 90 Cb -0.29 0.39 0.33 0.00 0.10 0.00 0.00 66.02 66.55 1nxi s SER 90 CO 0.28 -0.57 0.98 0.00 0.98 0.00 0.00 173.24 174.91 1nxi s ALA 91 N -2.45 -0.62 -0.61 5.32 0.00 -1.26 -0.92 121.76 121.22 1nxi s ALA 91 Ca 0.02 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 1nxi s ALA 91 Cb -0.01 -3.07 0.09 0.00 0.00 0.00 0.00 23.12 20.14 1nxi s ALA 91 CO -0.05 -4.26 0.77 -1.17 0.00 0.00 0.00 175.76 171.05 1nxi s LEU 92 N -7.56 5.10 -0.08 0.00 2.96 -1.26 -4.58 118.68 113.26 1nxi s LEU 92 Ca 0.69 -1.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1nxi s LEU 92 Cb -0.18 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1nxi s LEU 92 CO 0.61 -1.20 0.20 -1.81 -1.32 0.00 0.00 176.35 172.83 1nxi s ASP 93 N 3.60 -0.21 0.18 3.68 1.01 -1.26 -4.92 116.67 118.75 1nxi s ASP 93 Ca 0.15 0.41 -0.08 0.00 0.71 0.00 0.00 52.55 53.74 1nxi s ASP 93 Cb -0.22 0.39 0.06 0.00 1.01 0.00 0.00 42.92 44.16 1nxi s ASP 93 CO 0.08 -0.09 1.56 0.00 0.21 0.00 0.00 175.17 176.93 1nxi h ALA 94 N 6.18 0.73 -0.21 5.23 0.00 -1.94 -1.06 119.26 128.20 1nxi h ALA 94 Ca -0.29 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1nxi h ALA 94 Cb 1.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1nxi h ALA 94 CO 0.39 0.66 0.12 0.87 0.00 0.00 0.00 179.25 181.29 1nxi h LYS 95 N 0.77 0.30 0.68 0.00 1.79 -1.97 0.82 116.57 118.95 1nxi h LYS 95 Ca 0.09 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1nxi h LYS 95 Cb 0.82 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1nxi h LYS 95 CO 0.07 0.26 -0.33 1.25 -1.08 0.00 0.00 179.45 179.63 1nxi h LEU 96 N 0.25 -0.77 -0.97 2.94 6.46 -1.94 -1.72 115.31 119.55 1nxi h LEU 96 Ca 0.08 0.03 0.28 0.00 -0.12 0.00 0.00 57.88 58.14 1nxi h LEU 96 Cb 0.05 0.20 -0.14 0.00 -0.73 0.00 0.00 40.66 40.04 1nxi h LEU 96 CO -0.01 -0.47 0.51 0.40 -0.62 0.00 0.00 178.44 178.25 1nxi h ILE 97 N -1.08 0.37 -0.41 4.05 2.04 -1.19 1.25 117.51 122.55 1nxi h ILE 97 Ca -0.09 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1nxi h ILE 97 Cb 0.70 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1nxi h ILE 97 CO 0.15 0.07 0.13 0.44 0.00 0.00 0.00 178.15 178.95 1nxi h ASP 98 N 0.37 0.53 0.20 1.72 5.19 -0.60 -2.54 116.42 121.30 1nxi h ASP 98 Ca 0.67 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 57.01 1nxi h ASP 98 Cb 1.42 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1nxi h ASP 98 CO -0.58 0.51 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.63 1nxi h GLU 99 N 0.58 -0.26 -0.99 3.56 4.39 0.25 -1.56 114.58 120.55 1nxi h GLU 99 Ca 0.14 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.09 1nxi h GLU 99 Cb 0.17 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.79 1nxi h GLU 99 CO -0.01 0.07 0.64 1.96 -1.16 0.00 0.00 179.01 180.51 1nxi h GLN 100 N -0.61 0.43 -0.07 2.33 4.20 -1.13 0.52 115.11 120.78 1nxi h GLN 100 Ca -0.03 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 1nxi h GLN 100 Cb 0.45 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1nxi h GLN 100 CO 0.04 0.29 -0.66 0.28 -0.67 0.00 0.00 178.83 178.11 1nxi h VAL 101 N 0.45 1.40 -0.36 -0.54 2.07 -1.22 -1.56 116.25 116.49 1nxi h VAL 101 Ca 0.55 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.87 1nxi h VAL 101 Cb 1.32 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1nxi h VAL 101 CO -0.26 0.62 -0.24 -0.33 0.02 0.00 0.00 177.57 177.38 1nxi h GLU 102 N 0.19 0.79 -0.07 1.57 5.08 0.10 0.38 114.58 122.63 1nxi h GLU 102 Ca -0.01 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1nxi h GLU 102 Cb 1.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1nxi h GLU 102 CO 0.10 1.00 -0.11 0.87 -1.00 0.00 0.00 179.01 179.88 1nxi h LYS 103 N 0.58 0.20 -0.33 2.33 1.57 -1.10 -1.18 116.57 118.63 1nxi h LYS 103 Ca 0.07 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1nxi h LYS 103 Cb 0.80 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1nxi h LYS 103 CO 0.07 0.69 0.00 -0.07 -0.57 0.00 0.00 179.45 179.56 1nxi h LEU 104 N -0.28 0.48 0.33 2.94 3.38 -1.30 -0.35 115.31 120.51 1nxi h LEU 104 Ca 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1nxi h LEU 104 Cb 0.67 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1nxi h LEU 104 CO 0.03 0.54 -0.16 0.58 0.09 0.00 0.00 178.44 179.52 1nxi h VAL 105 N 0.49 0.46 -0.79 1.22 2.07 -0.86 0.88 116.25 119.71 1nxi h VAL 105 Ca 0.11 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1nxi h VAL 105 Cb 0.31 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1nxi h VAL 105 CO 0.01 0.10 0.44 0.78 0.02 0.00 0.00 177.57 178.92 1nxi h ASN 106 N -0.97 0.62 -0.53 0.57 4.21 -1.15 -0.67 115.58 117.66 1nxi h ASN 106 Ca -0.04 0.05 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 1nxi h ASN 106 Cb 0.51 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 1nxi h ASN 106 CO 0.07 0.35 -0.05 0.25 -1.29 0.00 0.00 177.43 176.76 1nxi h LEU 107 N 0.74 0.96 0.40 1.61 6.46 -1.08 -0.39 115.31 124.02 1nxi h LEU 107 Ca 0.38 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1nxi h LEU 107 Cb 0.36 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1nxi h LEU 107 CO -0.25 1.06 -0.25 0.00 -0.62 0.00 0.00 178.44 178.37 1nxi h ALA 108 N 0.93 -0.63 0.00 1.25 0.00 0.49 -1.32 119.26 119.98 1nxi h ALA 108 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nxi h ALA 108 Cb 0.60 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nxi h ALA 108 CO 0.04 -0.87 -0.04 0.93 0.00 0.00 0.00 179.25 179.31 1nxi h GLU 109 N -0.63 0.00 0.00 0.00 4.39 -1.14 -1.73 114.58 115.47 1nxi h GLU 109 Ca -0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1nxi h GLU 109 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1nxi h GLU 109 CO 0.04 0.04 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.23 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 3.64 0.02 -3.39 116.57 119.17 1nxi h LYS 110 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nxi h LYS 110 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1nxi h LYS 110 CO 0.01 0.48 0.00 1.19 -2.27 0.00 0.00 179.45 178.85 1nxi n PHE 111 N -3.60 0.00 0.00 1.91 3.01 -0.71 -5.05 117.46 113.02 1nxi n PHE 111 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1nxi n PHE 111 Cb 0.57 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nxi n ASP 112 N -1.74 0.00 -4.80 4.37 9.92 -0.84 -5.11 116.55 118.35 1nxi n ASP 112 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1nxi n ASP 112 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1nxi s ILE 113 N 0.00 1.35 -0.24 0.53 -4.36 -1.12 -4.70 121.20 112.67 1nxi s ILE 113 Ca 0.00 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1nxi s ILE 113 Cb 0.00 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.57 1nxi s ILE 113 CO 0.00 0.00 -0.07 -0.51 0.24 0.00 0.00 174.94 174.60 1nxi s ILE 114 N -2.84 1.66 -0.31 8.37 1.10 -1.20 -4.40 121.20 123.59 1nxi s ILE 114 Ca 0.15 -1.31 -0.21 0.00 -0.51 0.00 0.00 60.65 58.78 1nxi s ILE 114 Cb 0.01 -1.90 -0.01 0.00 0.15 0.00 0.00 42.46 40.71 1nxi s ILE 114 CO 0.09 -0.08 0.65 -0.47 -2.11 0.00 0.00 174.94 173.01 1nxi s TYR 115 N 1.33 3.21 -0.49 3.50 5.04 -1.26 -4.08 117.35 124.60 1nxi s TYR 115 Ca -0.06 0.58 0.06 0.00 -2.44 0.00 0.00 57.07 55.21 1nxi s TYR 115 Cb -0.19 -3.03 0.22 0.00 0.35 0.00 0.00 41.96 39.31 1nxi s TYR 115 CO -0.06 -0.50 0.81 -3.47 -1.34 0.00 0.00 175.55 170.99 1nxi n ASP 116 N 5.93 -2.94 0.00 4.32 2.03 -1.25 -5.03 116.55 119.60 1nxi n ASP 116 Ca -0.01 -3.13 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1nxi n ASP 116 Cb 0.49 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.56 1nxi n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nxi n GLY 117 N 2.11 -0.92 3.16 0.27 0.00 -1.26 -4.96 105.19 103.59 1nxi n GLY 117 Ca 0.13 0.85 -0.28 0.00 0.00 0.00 0.00 46.02 46.72 1nxi n GLY 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxi s TRP 118 N 0.00 1.94 0.06 1.61 1.48 -1.26 -0.85 118.94 121.92 1nxi s TRP 118 Ca 0.00 -0.63 -0.06 0.00 -1.06 0.00 0.00 56.10 54.35 1nxi s TRP 118 Cb 0.00 -1.31 -0.01 0.00 -1.16 0.00 0.00 33.47 30.99 1nxi s TRP 118 CO 0.00 -0.23 0.12 0.20 -4.06 0.00 0.00 176.95 172.98 1nxi s GLY 119 N 0.14 0.18 -0.08 3.67 0.00 -0.97 -5.03 107.32 105.24 1nxi s GLY 119 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1nxi s GLY 119 CO 0.04 -0.82 -0.12 -1.08 0.00 0.00 0.00 173.10 171.12 1nxi s THR 120 N -3.33 1.14 1.10 0.90 -1.32 -1.26 -1.75 115.64 111.11 1nxi s THR 120 Ca 0.01 -0.46 -0.13 0.00 -1.21 0.00 0.00 61.69 59.91 1nxi s THR 120 Cb 0.03 -1.06 0.24 0.00 -1.51 0.00 0.00 72.50 70.20 1nxi s THR 120 CO -0.08 0.36 1.06 -0.31 -2.21 0.00 0.00 174.62 173.44 1nxi s TYR 121 N 0.85 1.65 -0.37 9.09 2.02 -1.25 -5.02 117.35 124.32 1nxi s TYR 121 Ca -0.11 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.72 1nxi s TYR 121 Cb -0.15 -3.16 0.12 0.00 -0.40 0.00 0.00 41.96 38.37 1nxi s TYR 121 CO 0.01 -3.47 0.18 -0.47 -1.57 0.00 0.00 175.55 170.23 1nxi s TYR 122 N -2.66 1.48 0.30 2.71 5.04 -1.26 -4.85 117.35 118.11 1nxi s TYR 122 Ca 0.67 -1.91 -0.29 0.00 -2.44 0.00 0.00 57.07 53.10 1nxi s TYR 122 Cb -0.22 -1.54 -0.09 0.00 0.35 0.00 0.00 41.96 40.45 1nxi s TYR 122 CO 0.62 -0.83 1.10 -1.21 -1.34 0.00 0.00 175.55 173.89 1nxi s GLU 123 N 1.04 4.56 0.00 4.97 2.02 -1.26 -4.62 118.70 125.41 1nxi s GLU 123 Ca 0.15 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.93 1nxi s GLU 123 Cb -0.21 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1nxi s GLU 123 CO -0.10 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1nxi n GLY 124 N 1.07 0.57 3.77 -1.39 0.00 -1.26 -5.06 105.19 102.90 1nxi n GLY 124 Ca -0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1nxi n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nxi s LEU 125 N 0.00 4.32 0.00 0.99 1.02 -1.26 -5.05 118.68 118.70 1nxi s LEU 125 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.76 1nxi s LEU 125 Cb 0.00 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1nxi s LEU 125 CO 0.00 0.19 0.00 -0.62 0.02 0.00 0.00 176.35 175.94 1nxi n GLU 126 N 2.95 0.00 -4.17 1.70 -0.58 -1.26 -5.06 120.64 114.22 1nxi n GLU 126 Ca -0.13 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.45 1nxi n GLU 126 Cb 0.52 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.28 1nxi n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1nxi s HIS 127 N 0.22 1.11 0.00 -0.32 3.76 -1.26 -5.14 115.29 113.66 1nxi s HIS 127 Ca 0.00 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 1nxi s HIS 127 Cb 0.00 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.08 1nxi s HIS 127 CO 0.00 0.03 0.00 1.58 -0.85 0.00 0.00 174.74 175.50 1nxi n HIS 128 N 0.88 0.00 -0.01 1.40 -0.00 -1.26 -5.09 115.22 111.14 1nxi n HIS 128 Ca -0.18 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 57.99 1nxi n HIS 128 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1nxi n HIS 128 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1nxi n HIS 129 N 0.00 -1.36 -2.24 1.57 1.44 -1.26 -4.69 115.22 108.68 1nxi n HIS 129 Ca 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1nxi n HIS 129 Cb 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1nxi n HIS 129 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1nxi n HIS 130 N -2.71 -3.40 -2.39 -1.40 -0.00 -1.26 -4.77 115.22 99.30 1nxi n HIS 130 Ca 0.00 2.02 -0.04 0.00 -0.00 0.00 0.00 57.72 59.70 1nxi n HIS 130 Cb 0.01 -2.98 -0.04 0.00 -0.00 0.00 0.00 29.99 26.99 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1nxi n HIS 131 N 1.90 -3.60 0.52 1.57 -0.00 -1.26 -5.08 115.22 109.27 1nxi n HIS 131 Ca 0.00 2.04 0.06 0.00 -0.00 0.00 0.00 57.72 59.83 1nxi n HIS 131 Cb 0.00 -3.47 0.05 0.00 -0.00 0.00 0.00 29.99 26.57 1nxi n HIS 131 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95