#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 2.18 0.00 7.83 3.41 -1.26 -5.06 113.62 120.72 1nxi n SER 2 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1nxi n SER 2 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1nxi n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1nxi n HIS 3 N -3.32 0.00 -3.86 7.33 -0.00 -1.26 -5.16 115.22 108.94 1nxi n HIS 3 Ca -0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.28 1nxi n HIS 3 Cb 0.82 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.74 1nxi n HIS 3 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1nxi s GLN 4 N 0.00 0.89 0.30 1.57 -1.52 -1.26 -5.17 119.66 114.47 1nxi s GLN 4 Ca 0.00 -0.98 0.10 0.00 -1.95 0.00 0.00 55.36 52.53 1nxi s GLN 4 Cb 0.00 0.35 -0.05 0.00 -0.22 0.00 0.00 33.01 33.09 1nxi s GLN 4 CO 0.00 -0.29 -0.03 0.34 -0.25 0.00 0.00 175.29 175.05 1nxi s ASP 5 N -2.87 4.20 0.46 5.90 2.15 -1.26 -5.03 116.67 120.22 1nxi s ASP 5 Ca 0.06 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.18 1nxi s ASP 5 Cb 0.05 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 1nxi s ASP 5 CO -0.10 -0.10 0.00 0.47 -0.17 0.00 0.00 175.17 175.28 1nxi n ASP 6 N -0.87 -5.93 -4.30 -0.34 8.00 -1.26 -4.96 116.55 106.89 1nxi n ASP 6 Ca -0.05 1.17 -0.17 0.00 0.71 0.00 0.00 54.79 56.45 1nxi n ASP 6 Cb 0.61 -4.14 -0.10 0.00 -0.02 0.00 0.00 41.12 37.46 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 -4.68 1.52 -1.04 1.24 2.02 -1.26 -5.03 117.35 110.12 1nxi s TYR 7 Ca 0.00 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 56.00 1nxi s TYR 7 Cb 0.00 -0.74 -0.10 0.00 -0.40 0.00 0.00 41.96 40.72 1nxi s TYR 7 CO 0.00 0.23 3.07 1.47 -1.57 0.00 0.00 175.55 178.75 1nxi n LEU 8 N -0.15 7.51 0.06 -1.29 -0.00 -1.26 -4.04 117.00 117.83 1nxi n LEU 8 Ca -0.10 -4.08 0.00 0.00 -0.00 0.00 0.00 56.01 51.83 1nxi n LEU 8 Cb 0.60 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1nxi n LEU 8 CO 0.32 1.94 -0.10 -1.54 -0.00 0.00 0.00 177.39 178.02 1nxi n SER 9 N 2.83 0.25 -0.67 1.45 3.41 -1.26 -4.49 113.62 115.13 1nxi n SER 9 Ca 0.64 0.19 0.51 0.00 -0.26 0.00 0.00 58.87 59.96 1nxi n SER 9 Cb 0.45 0.04 0.80 0.00 -0.26 0.00 0.00 64.21 65.24 1nxi n SER 9 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1nxi n VAL 10 N -3.18 -0.05 -0.04 -3.33 0.24 -1.26 -0.76 118.33 109.95 1nxi n VAL 10 Ca 0.00 1.56 -0.01 0.00 -2.04 0.00 0.00 64.34 63.86 1nxi n VAL 10 Cb 0.10 -2.60 -0.00 0.00 -1.47 0.00 0.00 33.84 29.87 1nxi n VAL 10 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1nxi h GLU 11 N 0.00 0.00 -1.76 7.34 4.57 -1.85 -3.10 114.58 119.78 1nxi h GLU 11 Ca 0.94 0.00 0.53 0.00 -1.18 0.00 0.00 59.36 59.65 1nxi h GLU 11 Cb 3.62 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 32.12 1nxi h GLU 11 CO -0.10 0.00 1.23 1.05 -1.18 0.00 0.00 179.01 180.01 1nxi h GLU 12 N -0.82 0.01 0.56 1.92 -0.00 -1.17 0.47 114.58 115.55 1nxi h GLU 12 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1nxi h GLU 12 Cb 0.08 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.84 1nxi h GLU 12 CO 0.00 0.01 -0.27 -0.07 -0.00 0.00 0.00 179.01 178.68 1nxi h LEU 13 N 0.01 -0.64 -1.47 3.06 3.38 -1.17 -1.99 115.31 116.49 1nxi h LEU 13 Ca 0.90 0.01 0.16 0.00 0.09 0.00 0.00 57.88 59.04 1nxi h LEU 13 Cb 3.41 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 44.26 1nxi h LEU 13 CO -0.15 -0.23 0.54 0.40 0.09 0.00 0.00 178.44 179.09 1nxi h ILE 14 N -1.19 0.78 0.66 1.22 2.04 -0.13 -1.02 117.51 119.88 1nxi h ILE 14 Ca -0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1nxi h ILE 14 Cb 0.59 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1nxi h ILE 14 CO 0.13 0.09 -0.32 -0.33 0.00 0.00 0.00 178.15 177.72 1nxi h GLU 15 N 0.50 -0.85 0.38 2.37 4.39 -0.69 0.12 114.58 120.80 1nxi h GLU 15 Ca 0.41 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1nxi h GLU 15 Cb 0.87 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1nxi h GLU 15 CO -0.16 -0.57 -0.47 0.82 -1.16 0.00 0.00 179.01 177.48 1nxi h ILE 16 N -0.93 0.00 -0.73 3.13 2.04 -0.90 0.18 117.51 120.31 1nxi h ILE 16 Ca -0.09 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.93 1nxi h ILE 16 Cb 0.68 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.63 1nxi h ILE 16 CO 0.15 0.00 -0.06 1.56 0.00 0.00 0.00 178.15 179.80 1nxi h GLN 17 N -0.87 0.06 0.75 2.37 1.08 -1.26 0.13 115.11 117.38 1nxi h GLN 17 Ca -0.05 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1nxi h GLN 17 Cb 0.77 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1nxi h GLN 17 CO -0.10 0.04 -0.38 -0.22 -0.95 0.00 0.00 178.83 177.22 1nxi h LYS 18 N 0.06 -0.99 0.04 1.46 3.64 -0.14 -1.57 116.57 119.07 1nxi h LYS 18 Ca 0.38 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1nxi h LYS 18 Cb 0.64 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1nxi h LYS 18 CO -0.68 -0.66 -0.33 1.49 -2.27 0.00 0.00 179.45 177.00 1nxi h GLU 19 N -1.03 -0.43 -0.21 1.90 4.57 0.52 -0.35 114.58 119.55 1nxi h GLU 19 Ca -0.10 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1nxi h GLU 19 Cb 0.80 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1nxi h GLU 19 CO 0.15 -0.28 -0.15 1.49 -1.18 0.00 0.00 179.01 179.04 1nxi h GLU 20 N -0.44 -0.03 -0.43 1.92 4.81 -0.79 -1.56 114.58 118.06 1nxi h GLU 20 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1nxi h GLU 20 Cb 0.46 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1nxi h GLU 20 CO -0.19 -0.02 -0.30 1.15 -0.73 0.00 0.00 179.01 178.91 1nxi h THR 21 N -0.03 0.00 -1.10 0.32 2.02 -1.07 1.00 112.91 114.05 1nxi h THR 21 Ca 0.03 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.59 1nxi h THR 21 Cb 0.12 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.43 1nxi h THR 21 CO -0.22 0.00 0.72 0.54 0.37 0.00 0.00 175.52 176.93 1nxi n ARG 22 N -4.15 -0.02 -0.02 6.66 1.74 -0.16 0.27 116.66 120.98 1nxi n ARG 22 Ca 0.00 0.94 -0.16 0.00 -0.77 0.00 0.00 57.85 57.86 1nxi n ARG 22 Cb 0.15 -1.88 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1nxi h ASP 23 N 0.00 0.51 0.41 0.55 3.58 0.17 -2.56 116.42 119.07 1nxi h ASP 23 Ca 0.67 -0.70 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1nxi h ASP 23 Cb 2.24 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 43.14 1nxi h ASP 23 CO -0.31 1.13 -0.20 0.40 -2.88 0.00 0.00 179.24 177.38 1nxi h ILE 24 N -0.07 0.60 0.03 2.25 2.04 0.45 -1.41 117.51 121.39 1nxi h ILE 24 Ca -0.05 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1nxi h ILE 24 Cb 1.16 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1nxi h ILE 24 CO 0.10 0.01 -0.39 0.40 0.00 0.00 0.00 178.15 178.27 1nxi h ILE 25 N -0.57 0.20 -0.74 -0.67 1.08 -1.26 0.22 117.51 115.77 1nxi h ILE 25 Ca -0.06 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.63 1nxi h ILE 25 Cb 0.44 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1nxi h ILE 25 CO 0.09 0.00 0.58 1.56 -0.69 0.00 0.00 178.15 179.69 1nxi h GLN 26 N -0.56 0.00 0.20 2.37 1.08 -1.35 0.15 115.11 116.99 1nxi h GLN 26 Ca 0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1nxi h GLN 26 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1nxi h GLN 26 CO -0.28 0.00 -0.09 0.00 -0.95 0.00 0.00 178.83 177.51 1nxi h ALA 27 N 1.55 -0.49 -1.00 3.87 0.00 0.54 -0.01 119.26 123.72 1nxi h ALA 27 Ca 0.35 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1nxi h ALA 27 Cb 1.50 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 1nxi h ALA 27 CO -0.00 -0.47 0.62 -0.07 0.00 0.00 0.00 179.25 179.32 1nxi h LEU 28 N -0.53 0.83 0.53 0.00 3.38 -0.75 -0.74 115.31 118.02 1nxi h LEU 28 Ca -0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nxi h LEU 28 Cb 0.20 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nxi h LEU 28 CO 0.04 0.36 -0.25 0.25 0.09 0.00 0.00 178.44 178.93 1nxi h LEU 29 N 0.85 -0.60 -1.95 1.67 7.12 -0.77 -2.35 115.31 119.28 1nxi h LEU 29 Ca 0.54 -0.05 0.14 0.00 0.13 0.00 0.00 57.88 58.63 1nxi h LEU 29 Cb 0.74 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.00 1nxi h LEU 29 CO -0.32 -0.28 0.48 -0.33 -0.13 0.00 0.00 178.44 177.86 1nxi h GLU 30 N -0.94 0.00 -0.26 1.25 5.08 -0.31 0.26 114.58 119.66 1nxi h GLU 30 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1nxi h GLU 30 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nxi h GLU 30 CO 0.12 0.00 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.21 1nxi h ASP 31 N 0.00 0.75 0.00 1.42 5.19 -0.65 -3.47 116.42 119.66 1nxi h ASP 31 Ca 0.22 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1nxi h ASP 31 Cb 1.18 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1nxi h ASP 31 CO -0.00 1.10 0.00 0.61 -3.12 0.00 0.00 179.24 177.83 1nxi n GLY 32 N 0.17 1.51 3.17 2.75 0.00 0.91 -5.11 105.19 108.59 1nxi n GLY 32 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nxi n SER 33 N 0.00 -2.76 -3.98 1.61 3.41 -0.97 -4.93 113.62 106.00 1nxi n SER 33 Ca 0.00 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.26 1nxi n SER 33 Cb 0.00 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.03 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1nxi s ASP 34 N -1.49 4.47 0.57 4.04 1.01 -1.26 -4.95 116.67 119.05 1nxi s ASP 34 Ca 0.48 -2.81 0.28 0.00 0.71 0.00 0.00 52.55 51.20 1nxi s ASP 34 Cb -0.04 -1.65 1.48 0.00 1.01 0.00 0.00 42.92 43.72 1nxi s ASP 34 CO 0.67 -0.27 1.96 -0.65 0.21 0.00 0.00 175.17 177.08 1nxi h PRO 35 N 6.78 0.00 -0.05 8.23 0.11 -1.94 0.11 132.00 145.24 1nxi h PRO 35 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nxi h PRO 35 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1nxi h PRO 35 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1nxi n ASP 36 N -3.99 0.05 -1.13 -2.05 5.75 -1.26 -2.99 116.55 110.93 1nxi n ASP 36 Ca 0.09 -1.90 0.09 0.00 -0.01 0.00 0.00 54.79 53.05 1nxi n ASP 36 Cb 0.63 -0.03 0.27 0.00 -1.03 0.00 0.00 41.12 40.96 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 -0.47 2.57 -1.64 2.12 0.00 0.39 -5.07 120.51 118.41 1nxi n ALA 37 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1nxi n ALA 37 Cb 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1nxi n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nxi n LEU 38 N 0.90 -1.92 -4.21 0.00 7.94 -1.16 -5.00 117.00 113.55 1nxi n LEU 38 Ca 0.20 3.04 -0.17 0.00 -1.11 0.00 0.00 56.01 57.97 1nxi n LEU 38 Cb 0.66 -3.25 -0.11 0.00 0.53 0.00 0.00 43.42 41.25 1nxi n LEU 38 CO 0.16 -0.40 -0.44 -0.31 -1.11 0.00 0.00 177.39 175.29 1nxi s TYR 39 N -4.81 1.26 -0.21 1.96 1.51 -0.64 -4.97 117.35 111.45 1nxi s TYR 39 Ca 0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1nxi s TYR 39 Cb 0.00 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1nxi s TYR 39 CO 0.00 0.08 -0.12 -1.83 -1.11 0.00 0.00 175.55 172.58 1nxi s GLU 40 N -2.52 3.14 0.23 -0.62 -1.05 -1.26 -1.15 118.70 115.47 1nxi s GLU 40 Ca 0.06 -0.76 0.01 0.00 -0.15 0.00 0.00 54.97 54.13 1nxi s GLU 40 Cb -0.05 -2.81 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 1nxi s GLU 40 CO 0.02 -0.23 0.40 0.42 0.95 0.00 0.00 175.26 176.82 1nxi s ILE 41 N 1.38 5.21 -0.04 1.83 -1.09 -0.95 -3.13 121.20 124.41 1nxi s ILE 41 Ca 0.05 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1nxi s ILE 41 Cb -0.14 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1nxi s ILE 41 CO -0.08 -0.27 0.03 -0.70 -1.23 0.00 0.00 174.94 172.69 1nxi s GLU 42 N -3.62 0.14 -0.11 2.79 2.12 -0.58 -1.92 118.70 117.53 1nxi s GLU 42 Ca 0.37 0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1nxi s GLU 42 Cb -0.10 -0.50 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 1nxi s GLU 42 CO 0.30 -0.23 -0.08 -1.01 -0.54 0.00 0.00 175.26 173.70 1nxi s HIS 43 N 1.52 2.91 -0.24 5.30 3.76 0.11 -1.34 115.29 127.30 1nxi s HIS 43 Ca -0.03 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 1nxi s HIS 43 Cb -0.13 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1nxi s HIS 43 CO -0.03 0.09 0.22 -1.01 -0.85 0.00 0.00 174.74 173.16 1nxi s HIS 44 N -0.20 3.30 -0.02 1.40 3.76 0.38 -2.26 115.29 121.65 1nxi s HIS 44 Ca 0.02 0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1nxi s HIS 44 Cb -0.13 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.21 1nxi s HIS 44 CO 0.03 -0.01 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.31 1nxi s LEU 45 N 1.31 1.78 0.17 0.89 1.02 -1.06 -4.08 118.68 118.71 1nxi s LEU 45 Ca 0.10 -0.17 0.09 0.00 0.02 0.00 0.00 54.13 54.17 1nxi s LEU 45 Cb -0.14 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.51 1nxi s LEU 45 CO 0.07 0.06 -0.20 0.72 0.02 0.00 0.00 176.35 177.01 1nxi s PHE 46 N 0.21 1.97 0.42 0.29 -0.71 -1.26 -1.48 117.98 117.42 1nxi s PHE 46 Ca -0.03 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1nxi s PHE 46 Cb -0.08 -0.99 -0.02 0.00 -1.21 0.00 0.00 43.02 40.72 1nxi s PHE 46 CO 0.00 0.37 0.17 0.00 -1.34 0.00 0.00 175.22 174.43 1nxi n ALA 47 N 0.35 0.62 -0.07 1.99 0.00 -0.99 -3.41 120.51 119.00 1nxi n ALA 47 Ca -0.13 -2.15 -0.08 0.00 0.00 0.00 0.00 53.44 51.08 1nxi n ALA 47 Cb 0.56 1.48 -0.09 0.00 0.00 0.00 0.00 19.45 21.40 1nxi n ALA 47 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nxi n GLU 48 N -0.92 1.37 -4.90 0.00 2.13 -1.26 -3.87 120.64 113.18 1nxi n GLU 48 Ca -0.04 0.03 -0.33 0.00 0.66 0.00 0.00 57.16 57.48 1nxi n GLU 48 Cb 0.64 -1.33 -0.13 0.00 0.27 0.00 0.00 31.44 30.89 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1nxi s ASP 49 N -4.93 3.98 0.39 4.31 2.15 -1.26 -4.90 116.67 116.40 1nxi s ASP 49 Ca -0.12 -0.22 0.08 0.00 0.43 0.00 0.00 52.55 52.72 1nxi s ASP 49 Cb 0.04 -0.89 0.81 0.00 -0.30 0.00 0.00 42.92 42.58 1nxi s ASP 49 CO 0.47 0.33 1.98 0.15 -0.17 0.00 0.00 175.17 177.93 1nxi h PHE 50 N 5.47 0.40 0.12 -5.34 3.57 -1.99 -2.00 116.94 117.16 1nxi h PHE 50 Ca -0.44 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1nxi h PHE 50 Cb 1.16 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1nxi h PHE 50 CO 0.49 0.37 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.44 1nxi h ASP 51 N 0.40 -0.13 -0.81 0.41 3.32 -2.00 -2.56 116.42 115.04 1nxi h ASP 51 Ca 0.10 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.35 1nxi h ASP 51 Cb 0.17 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.62 1nxi h ASP 51 CO -0.00 -0.09 0.10 0.50 -1.72 0.00 0.00 179.24 178.03 1nxi h LYS 52 N -0.16 0.15 -0.83 3.56 1.63 -1.98 0.35 116.57 119.28 1nxi h LYS 52 Ca -0.02 -0.01 0.20 0.00 -0.85 0.00 0.00 60.65 59.97 1nxi h LYS 52 Cb 0.12 -0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 31.57 1nxi h LYS 52 CO 0.03 0.10 0.01 1.25 -3.45 0.00 0.00 179.45 177.38 1nxi h LEU 53 N 0.15 -0.40 -1.41 5.20 6.46 -1.24 1.70 115.31 125.78 1nxi h LEU 53 Ca 0.47 0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 58.40 1nxi h LEU 53 Cb 0.88 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 1nxi h LEU 53 CO -0.66 -0.23 -0.26 -0.08 -0.62 0.00 0.00 178.44 176.59 1nxi h GLU 54 N 0.08 0.00 0.11 1.25 4.81 0.10 0.40 114.58 121.33 1nxi h GLU 54 Ca 0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1nxi h GLU 54 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1nxi h GLU 54 CO -0.75 0.26 -0.05 0.87 -0.73 0.00 0.00 179.01 178.61 1nxi h LYS 55 N 0.00 -0.14 -0.35 1.92 1.79 0.30 -0.24 116.57 119.85 1nxi h LYS 55 Ca -0.00 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1nxi h LYS 55 Cb 0.60 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1nxi h LYS 55 CO 0.03 0.35 -0.32 0.00 -1.08 0.00 0.00 179.45 178.44 1nxi h ALA 56 N -0.01 0.78 -0.45 3.86 0.00 -0.84 -2.71 119.26 119.88 1nxi h ALA 56 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1nxi h ALA 56 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nxi h ALA 56 CO 0.02 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 1nxi h ALA 57 N 0.99 0.61 0.80 0.00 0.00 -0.98 -2.28 119.26 118.42 1nxi h ALA 57 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1nxi h ALA 57 Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nxi h ALA 57 CO 0.07 0.51 -0.49 0.28 0.00 0.00 0.00 179.25 179.63 1nxi h VAL 58 N 0.70 0.00 -0.97 0.00 2.07 -0.93 -0.32 116.25 116.80 1nxi h VAL 58 Ca 0.11 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.85 1nxi h VAL 58 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1nxi h VAL 58 CO 0.04 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.18 1nxi h GLU 59 N -1.21 0.49 0.42 1.57 4.57 -1.51 -1.18 114.58 117.73 1nxi h GLU 59 Ca -0.11 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1nxi h GLU 59 Cb 0.97 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1nxi h GLU 59 CO 0.11 0.32 -0.20 0.00 -1.18 0.00 0.00 179.01 178.06 1nxi h ALA 60 N 1.62 -0.56 -0.49 2.92 0.00 -0.77 -2.16 119.26 119.82 1nxi h ALA 60 Ca 0.53 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1nxi h ALA 60 Cb 1.19 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1nxi h ALA 60 CO -0.26 -0.72 -0.05 0.35 0.00 0.00 0.00 179.25 178.57 1nxi h PHE 61 N -0.76 -0.12 -0.05 0.00 3.57 0.08 -1.75 116.94 117.91 1nxi h PHE 61 Ca -0.06 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1nxi h PHE 61 Cb 0.53 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1nxi h PHE 61 CO -0.00 -0.15 -0.33 -0.22 -2.23 0.00 0.00 178.31 175.37 1nxi h LYS 62 N 0.07 -0.44 -0.99 1.11 3.64 -1.22 -0.02 116.57 118.72 1nxi h LYS 62 Ca 0.24 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.99 1nxi h LYS 62 Cb 0.37 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 32.13 1nxi h LYS 62 CO -0.44 -0.29 0.48 0.52 -2.27 0.00 0.00 179.45 177.44 1nxi h MET 63 N -0.46 0.17 0.00 1.90 2.86 -0.65 -3.42 114.93 115.33 1nxi h MET 63 Ca 0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1nxi h MET 63 Cb 0.57 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1nxi h MET 63 CO -0.31 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.19 1nxi n GLY 64 N -1.31 0.07 3.97 8.32 0.00 -0.03 -5.13 105.19 111.09 1nxi n GLY 64 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.09 3.34 -0.62 1.61 0.40 -1.04 -4.86 117.98 116.73 1nxi s PHE 65 Ca 0.00 -0.00 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1nxi s PHE 65 Cb 0.00 -1.80 0.16 0.00 0.51 0.00 0.00 43.02 41.89 1nxi s PHE 65 CO 0.00 0.20 0.43 -1.21 0.70 0.00 0.00 175.22 175.34 1nxi s GLU 66 N -4.13 2.54 0.64 0.44 2.02 -0.55 -4.16 118.70 115.50 1nxi s GLU 66 Ca 0.39 -2.54 -0.18 0.00 0.02 0.00 0.00 54.97 52.67 1nxi s GLU 66 Cb -0.09 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 1nxi s GLU 66 CO 0.31 -1.17 1.24 0.54 0.02 0.00 0.00 175.26 176.20 1nxi s VAL 67 N -0.08 2.34 -0.02 2.63 0.11 -1.26 -1.96 120.40 122.17 1nxi s VAL 67 Ca 0.17 0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 1nxi s VAL 67 Cb -0.20 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 1nxi s VAL 67 CO -0.03 -0.05 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.30 1nxi s LEU 68 N -4.39 2.01 0.74 2.54 2.96 1.27 -4.89 118.68 118.92 1nxi s LEU 68 Ca 0.79 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 54.23 1nxi s LEU 68 Cb -0.33 -0.86 -0.13 0.00 0.50 0.00 0.00 46.19 45.38 1nxi s LEU 68 CO 0.38 0.20 -0.26 -0.62 -1.32 0.00 0.00 176.35 174.72 1nxi n GLU 69 N 2.73 0.04 -3.54 1.98 1.02 -1.26 -2.08 120.64 119.53 1nxi n GLU 69 Ca -0.15 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.81 1nxi n GLU 69 Cb 0.54 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxi s ALA 70 N -2.00 4.08 -0.22 0.62 0.00 -1.26 -4.21 121.76 118.78 1nxi s ALA 70 Ca 0.52 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1nxi s ALA 70 Cb -0.35 -1.22 0.07 0.00 0.00 0.00 0.00 23.12 21.62 1nxi s ALA 70 CO 0.71 -0.15 0.03 -2.00 0.00 0.00 0.00 175.76 174.36 1nxi s GLU 71 N -4.13 0.77 -0.44 0.00 2.12 -1.23 -4.85 118.70 110.94 1nxi s GLU 71 Ca 0.47 -0.57 -0.40 0.00 0.36 0.00 0.00 54.97 54.82 1nxi s GLU 71 Cb -0.06 -2.14 -0.17 0.00 0.26 0.00 0.00 34.13 32.03 1nxi s GLU 71 CO 0.29 -0.69 1.70 -1.91 -0.54 0.00 0.00 175.26 174.11 1nxi n GLU 72 N 4.98 0.00 0.00 4.30 2.13 -1.26 -4.41 120.64 126.38 1nxi n GLU 72 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1nxi n GLU 72 Cb 0.46 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1nxi n THR 73 N 4.86 0.00 -3.64 6.31 5.66 -1.01 -4.95 114.28 121.51 1nxi n THR 73 Ca 0.40 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.37 1nxi n THR 73 Cb -0.04 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.70 1nxi n THR 73 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nxi s GLU 74 N 3.43 0.11 -0.49 1.09 -1.05 -1.26 -4.38 118.70 116.15 1nxi s GLU 74 Ca 0.00 0.02 -0.07 0.00 -0.15 0.00 0.00 54.97 54.78 1nxi s GLU 74 Cb 0.00 0.05 -0.19 0.00 -0.44 0.00 0.00 34.13 33.55 1nxi s GLU 74 CO 0.00 -0.04 3.37 -3.47 0.95 0.00 0.00 175.26 176.07 1nxi n ASP 75 N 0.52 6.32 0.00 0.83 2.03 -1.26 -4.61 116.55 120.38 1nxi n ASP 75 Ca -0.01 -2.57 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1nxi n ASP 75 Cb 0.59 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1nxi n GLU 76 N 2.65 -0.83 -0.05 -0.67 2.13 -1.26 -4.51 120.64 118.11 1nxi n GLU 76 Ca 0.53 0.14 -0.06 0.00 0.66 0.00 0.00 57.16 58.43 1nxi n GLU 76 Cb 0.70 -3.70 -0.05 0.00 0.27 0.00 0.00 31.44 28.66 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nxi n ASP 77 N 0.13 3.26 0.00 4.31 9.92 -1.26 -5.02 116.55 127.88 1nxi n ASP 77 Ca 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1nxi n ASP 77 Cb 0.14 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nxi n GLY 78 N 2.97 -0.27 3.57 0.44 0.00 -1.26 -5.13 105.19 105.50 1nxi n GLY 78 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1nxi n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nxi s ASN 79 N -0.00 1.42 -0.17 1.61 3.84 -1.26 -4.91 114.94 115.47 1nxi s ASN 79 Ca 0.00 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.23 1nxi s ASN 79 Cb 0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.92 1nxi s ASN 79 CO 0.00 -3.88 -0.16 -0.54 -2.79 0.00 0.00 177.10 169.73 1nxi s LYS 80 N -4.87 3.16 0.13 0.43 1.02 -1.26 -4.18 119.74 114.17 1nxi s LYS 80 Ca 0.68 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 1nxi s LYS 80 Cb -0.19 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1nxi s LYS 80 CO 0.60 -0.06 0.40 -0.48 -0.92 0.00 0.00 175.35 174.89 1nxi s LEU 81 N 0.99 0.44 -0.10 3.17 0.05 -1.26 -5.02 118.68 116.94 1nxi s LEU 81 Ca -0.02 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 53.76 1nxi s LEU 81 Cb -0.15 1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 45.77 1nxi s LEU 81 CO -0.03 -0.86 0.06 -0.76 -0.55 0.00 0.00 176.35 174.20 1nxi s LEU 82 N -2.82 3.91 -0.29 1.48 1.02 -1.25 -2.41 118.68 118.32 1nxi s LEU 82 Ca 0.04 0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.48 1nxi s LEU 82 Cb 0.02 -1.92 0.09 0.00 0.02 0.00 0.00 46.19 44.39 1nxi s LEU 82 CO -0.11 0.39 0.03 0.00 0.02 0.00 0.00 176.35 176.68 1nxi s PHE 84 N 1.31 3.49 0.07 0.00 -0.71 -0.55 -3.50 117.98 118.09 1nxi s PHE 84 Ca 0.05 0.63 0.07 0.00 -1.04 0.00 0.00 56.93 56.64 1nxi s PHE 84 Cb -0.18 -2.10 -0.04 0.00 -1.21 0.00 0.00 43.02 39.49 1nxi s PHE 84 CO -0.13 0.12 -0.15 -0.51 -1.34 0.00 0.00 175.22 173.21 1nxi s ASP 85 N -3.34 4.04 -0.03 1.98 1.01 -0.88 -2.56 116.67 116.88 1nxi s ASP 85 Ca 0.44 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1nxi s ASP 85 Cb -0.10 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.14 1nxi s ASP 85 CO 0.32 0.22 -0.09 0.00 0.21 0.00 0.00 175.17 175.83 1nxi s ALA 86 N -1.06 0.90 0.33 5.23 0.00 -0.96 0.39 121.76 126.59 1nxi s ALA 86 Ca 0.17 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1nxi s ALA 86 Cb -0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1nxi s ALA 86 CO 0.09 0.13 0.07 0.95 0.00 0.00 0.00 175.76 177.00 1nxi s THR 87 N 0.29 2.90 -0.30 0.00 -4.23 -0.83 -0.71 115.64 112.76 1nxi s THR 87 Ca -0.05 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1nxi s THR 87 Cb -0.10 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1nxi s THR 87 CO 0.01 -0.21 0.63 -0.32 -0.54 0.00 0.00 174.62 174.19 1nxi s MET 88 N -3.77 0.55 0.28 3.99 1.75 -0.81 -1.48 119.30 119.81 1nxi s MET 88 Ca 0.36 1.06 -0.29 0.00 -1.25 0.00 0.00 55.69 55.56 1nxi s MET 88 Cb -0.02 0.60 -0.10 0.00 2.84 0.00 0.00 34.83 38.15 1nxi s MET 88 CO 0.21 -0.52 1.23 -0.65 -0.65 0.00 0.00 175.02 174.63 1nxi s GLN 89 N 2.87 4.47 0.00 4.11 1.11 -1.26 -2.23 119.66 128.72 1nxi s GLN 89 Ca 0.15 2.02 0.00 0.00 0.01 0.00 0.00 55.36 57.54 1nxi s GLN 89 Cb -0.14 -3.15 0.00 0.00 -1.01 0.00 0.00 33.01 28.71 1nxi s GLN 89 CO -0.20 -0.06 0.00 -1.13 0.01 0.00 0.00 175.29 173.91 1nxi n SER 90 N 1.41 0.00 -2.44 5.90 3.41 -0.30 -4.96 113.62 116.65 1nxi n SER 90 Ca 0.01 -0.22 -0.28 0.00 -0.26 0.00 0.00 58.87 58.12 1nxi n SER 90 Cb 0.43 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1nxi n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi n ALA 91 N -3.00 5.25 -1.98 7.33 0.00 -1.26 -1.62 120.51 125.23 1nxi n ALA 91 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1nxi n ALA 91 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1nxi n ALA 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nxi n LEU 92 N -0.54 -2.56 -3.66 0.00 7.94 -1.26 -4.96 117.00 111.96 1nxi n LEU 92 Ca 0.42 0.44 -0.07 0.00 -1.11 0.00 0.00 56.01 55.69 1nxi n LEU 92 Cb 0.67 -0.94 -0.08 0.00 0.53 0.00 0.00 43.42 43.60 1nxi n LEU 92 CO 0.38 -1.36 0.13 -1.81 -1.11 0.00 0.00 177.39 173.61 1nxi s ASP 93 N -0.25 -0.60 0.33 1.96 1.11 -1.26 -5.02 116.67 112.94 1nxi s ASP 93 Ca 0.00 1.17 0.05 0.00 0.18 0.00 0.00 52.55 53.95 1nxi s ASP 93 Cb 0.00 1.43 0.70 0.00 1.07 0.00 0.00 42.92 46.12 1nxi s ASP 93 CO 0.00 -0.22 1.88 0.00 1.18 0.00 0.00 175.17 178.01 1nxi h ALA 94 N 7.74 1.69 -0.37 5.23 0.00 -1.97 0.67 119.26 132.24 1nxi h ALA 94 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nxi h ALA 94 Cb 1.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 94 CO 0.16 0.10 0.15 0.87 0.00 0.00 0.00 179.25 180.53 1nxi h LYS 95 N 0.83 0.56 0.37 0.00 1.57 -1.99 -1.33 116.57 116.58 1nxi h LYS 95 Ca 0.43 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1nxi h LYS 95 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1nxi h LYS 95 CO -0.19 0.54 -0.18 1.25 -0.57 0.00 0.00 179.45 180.29 1nxi h LEU 96 N 0.46 -0.42 -1.55 2.94 5.85 -1.61 -2.35 115.31 118.62 1nxi h LEU 96 Ca 0.12 0.01 0.45 0.00 0.84 0.00 0.00 57.88 59.31 1nxi h LEU 96 Cb 0.19 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 1nxi h LEU 96 CO -0.01 -0.19 0.95 0.40 -0.34 0.00 0.00 178.44 179.25 1nxi h ILE 97 N -0.71 0.13 -0.07 4.05 2.04 -0.98 0.71 117.51 122.68 1nxi h ILE 97 Ca -0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1nxi h ILE 97 Cb 0.38 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1nxi h ILE 97 CO 0.08 0.01 -0.01 0.44 0.00 0.00 0.00 178.15 178.68 1nxi h ASP 98 N 0.07 0.13 -0.56 1.72 3.32 -1.08 0.11 116.42 120.14 1nxi h ASP 98 Ca 0.82 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1nxi h ASP 98 Cb 2.74 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 42.23 1nxi h ASP 98 CO -0.31 0.44 0.27 -0.33 -1.72 0.00 0.00 179.24 177.60 1nxi h GLU 99 N -0.19 0.84 0.03 3.56 5.08 0.91 0.10 114.58 124.91 1nxi h GLU 99 Ca 0.02 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1nxi h GLU 99 Cb 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1nxi h GLU 99 CO 0.01 0.66 -0.02 1.96 -1.00 0.00 0.00 179.01 180.62 1nxi h GLN 100 N 0.84 -0.04 -0.67 2.33 1.08 -0.98 -1.92 115.11 115.75 1nxi h GLN 100 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1nxi h GLN 100 Cb 0.10 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1nxi h GLN 100 CO -0.03 0.42 0.36 0.28 -0.95 0.00 0.00 178.83 178.91 1nxi h VAL 101 N -0.52 1.21 -0.88 -0.54 2.07 -0.77 -0.31 116.25 116.50 1nxi h VAL 101 Ca -0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1nxi h VAL 101 Cb 0.48 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1nxi h VAL 101 CO 0.01 0.23 0.50 -0.08 0.02 0.00 0.00 177.57 178.25 1nxi h GLU 102 N 0.91 1.22 -0.16 1.57 4.81 -0.81 0.73 114.58 122.85 1nxi h GLU 102 Ca 0.23 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 1nxi h GLU 102 Cb 0.05 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1nxi h GLU 102 CO -0.04 0.88 -0.63 0.87 -0.73 0.00 0.00 179.01 179.37 1nxi h LYS 103 N 1.23 0.56 -0.16 1.92 1.57 -0.86 -2.62 116.57 118.22 1nxi h LYS 103 Ca 0.31 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1nxi h LYS 103 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1nxi h LYS 103 CO -0.05 1.01 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.28 1nxi h LEU 104 N 0.42 0.45 0.25 2.94 3.38 -0.57 -2.42 115.31 119.76 1nxi h LEU 104 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1nxi h LEU 104 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1nxi h LEU 104 CO 0.12 0.87 -0.12 0.58 0.09 0.00 0.00 178.44 179.97 1nxi h VAL 105 N 0.33 0.00 -0.92 1.22 2.07 -0.78 0.34 116.25 118.51 1nxi h VAL 105 Ca 0.02 -0.13 0.24 0.00 0.82 0.00 0.00 66.70 67.64 1nxi h VAL 105 Cb 0.98 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1nxi h VAL 105 CO 0.09 0.00 0.40 0.78 0.02 0.00 0.00 177.57 178.86 1nxi h ASN 106 N -0.47 0.32 0.25 0.57 2.35 -1.56 -0.64 115.58 116.38 1nxi h ASN 106 Ca -0.03 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1nxi h ASN 106 Cb 0.26 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1nxi h ASN 106 CO 0.06 -0.04 -0.12 0.25 -1.65 0.00 0.00 177.43 175.93 1nxi h LEU 107 N 0.36 -0.28 -0.63 1.61 6.46 -1.42 -1.29 115.31 120.12 1nxi h LEU 107 Ca 0.59 -0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.29 1nxi h LEU 107 Cb 1.17 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 41.06 1nxi h LEU 107 CO -0.56 -0.01 -0.46 0.00 -0.62 0.00 0.00 178.44 176.79 1nxi h ALA 108 N 0.14 -0.36 -0.78 1.25 0.00 0.65 0.16 119.26 120.32 1nxi h ALA 108 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nxi h ALA 108 Cb 0.41 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1nxi h ALA 108 CO 0.06 -0.85 0.52 0.93 0.00 0.00 0.00 179.25 179.90 1nxi h GLU 109 N -0.21 1.03 -0.95 0.00 4.39 -1.41 -0.75 114.58 116.68 1nxi h GLU 109 Ca 0.18 -0.06 0.25 0.00 0.34 0.00 0.00 59.36 60.07 1nxi h GLU 109 Cb 0.56 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1nxi h GLU 109 CO -0.72 0.68 0.65 -0.22 -1.16 0.00 0.00 179.01 178.24 1nxi h LYS 110 N 1.06 0.21 0.00 2.33 3.64 0.52 -3.24 116.57 121.09 1nxi h LYS 110 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1nxi h LYS 110 Cb -0.12 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1nxi h LYS 110 CO -0.06 0.14 0.00 1.19 -2.27 0.00 0.00 179.45 178.45 1nxi n PHE 111 N -4.41 0.00 0.00 1.91 3.72 -0.57 -5.04 117.46 113.07 1nxi n PHE 111 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1nxi n PHE 111 Cb 0.88 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nxi n ASP 112 N -1.71 0.00 -4.73 4.37 8.00 -0.39 -5.12 116.55 116.97 1nxi n ASP 112 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1nxi n ASP 112 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 1.27 -0.28 0.53 -4.36 -1.03 -4.63 121.20 112.69 1nxi s ILE 113 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1nxi s ILE 113 Cb 0.00 -2.28 0.08 0.00 1.25 0.00 0.00 42.46 41.51 1nxi s ILE 113 CO 0.00 0.00 0.01 -0.51 0.24 0.00 0.00 174.94 174.68 1nxi s ILE 114 N -2.86 1.58 -0.27 8.37 1.10 -1.22 -4.23 121.20 123.67 1nxi s ILE 114 Ca 0.10 -1.58 -0.16 0.00 -0.51 0.00 0.00 60.65 58.50 1nxi s ILE 114 Cb 0.03 -2.01 -0.03 0.00 0.15 0.00 0.00 42.46 40.59 1nxi s ILE 114 CO 0.05 -0.38 0.43 -0.47 -2.11 0.00 0.00 174.94 172.46 1nxi s TYR 115 N 1.31 3.25 -0.47 3.50 5.04 -1.26 -4.12 117.35 124.60 1nxi s TYR 115 Ca 0.03 0.46 0.04 0.00 -2.44 0.00 0.00 57.07 55.16 1nxi s TYR 115 Cb -0.19 -2.64 0.22 0.00 0.35 0.00 0.00 41.96 39.71 1nxi s TYR 115 CO -0.11 -0.27 0.90 -3.47 -1.34 0.00 0.00 175.55 171.26 1nxi n ASP 116 N 5.43 -2.76 0.00 4.32 2.03 -1.26 -4.97 116.55 119.33 1nxi n ASP 116 Ca -0.07 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1nxi n ASP 116 Cb 0.50 1.57 0.00 0.00 -0.72 0.00 0.00 41.12 42.47 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 2.17 -0.68 3.23 0.27 0.00 -1.26 -5.01 105.19 103.91 1nxi n GLY 117 Ca 0.11 0.79 -0.28 0.00 0.00 0.00 0.00 46.02 46.64 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 2.01 0.12 1.61 1.48 -1.26 -0.47 118.94 122.44 1nxi s TRP 118 Ca 0.00 -0.45 0.03 0.00 -1.06 0.00 0.00 56.10 54.62 1nxi s TRP 118 Cb 0.00 -1.31 -0.04 0.00 -1.16 0.00 0.00 33.47 30.96 1nxi s TRP 118 CO 0.00 -0.08 -0.09 0.20 -4.06 0.00 0.00 176.95 172.92 1nxi s GLY 119 N -0.38 0.91 0.10 3.67 0.00 -0.45 -5.01 107.32 106.15 1nxi s GLY 119 Ca 0.05 -1.38 0.07 0.00 0.00 0.00 0.00 44.72 43.45 1nxi s GLY 119 CO 0.00 -1.48 -0.18 -1.08 0.00 0.00 0.00 173.10 170.37 1nxi s THR 120 N -3.31 1.45 -0.13 0.90 -1.32 -1.26 -1.52 115.64 110.46 1nxi s THR 120 Ca 0.13 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 58.94 1nxi s THR 120 Cb 0.03 -1.38 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1nxi s THR 120 CO -0.02 -0.17 0.49 -0.47 -2.21 0.00 0.00 174.62 172.24 1nxi s TYR 121 N -1.34 3.49 -0.16 9.09 6.14 -1.18 -5.02 117.35 128.37 1nxi s TYR 121 Ca 0.04 0.88 -0.07 0.00 0.64 0.00 0.00 57.07 58.57 1nxi s TYR 121 Cb -0.09 -2.58 -0.04 0.00 0.42 0.00 0.00 41.96 39.67 1nxi s TYR 121 CO 0.03 0.13 0.06 -0.47 0.64 0.00 0.00 175.55 175.94 1nxi s TYR 122 N 0.77 3.27 -0.74 4.97 5.04 -1.26 -4.67 117.35 124.73 1nxi s TYR 122 Ca 0.26 0.13 -0.23 0.00 -2.44 0.00 0.00 57.07 54.79 1nxi s TYR 122 Cb -0.15 -2.03 0.07 0.00 0.35 0.00 0.00 41.96 40.20 1nxi s TYR 122 CO 0.10 0.25 1.08 -2.00 -1.34 0.00 0.00 175.55 173.65 1nxi s GLU 123 N 0.07 3.23 0.00 4.97 2.12 -1.26 -4.41 118.70 123.42 1nxi s GLU 123 Ca 0.05 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1nxi s GLU 123 Cb -0.12 -4.41 0.00 0.00 0.26 0.00 0.00 34.13 29.86 1nxi s GLU 123 CO 0.01 -1.90 0.00 0.41 -0.54 0.00 0.00 175.26 173.24 1nxi n GLY 124 N 5.49 -0.55 2.67 -1.50 0.00 -1.26 -5.04 105.19 104.99 1nxi n GLY 124 Ca 0.04 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 0.05 0.00 0.99 1.43 -1.26 -5.13 118.68 114.76 1nxi s LEU 125 Ca 0.00 -2.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 1nxi s LEU 125 Cb 0.00 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.78 1nxi s LEU 125 CO 0.00 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 175.77 1nxi n GLU 126 N 3.62 3.42 -3.66 1.70 1.02 -1.26 -5.11 120.64 120.37 1nxi n GLU 126 Ca 0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1nxi n GLU 126 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.80 1nxi n GLU 126 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1nxi s HIS 127 N 1.25 -0.77 0.00 -0.32 -3.43 -1.26 -4.99 115.29 105.76 1nxi s HIS 127 Ca 0.00 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 55.75 1nxi s HIS 127 Cb 0.00 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1nxi s HIS 127 CO 0.00 -0.47 0.00 1.58 -2.00 0.00 0.00 174.74 173.85 1nxi n HIS 128 N 5.33 -0.25 -4.66 0.38 -0.00 -1.26 -5.15 115.22 109.60 1nxi n HIS 128 Ca -0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.33 1nxi n HIS 128 Cb 0.50 0.05 -0.08 0.00 -0.00 0.00 0.00 29.99 30.46 1nxi n HIS 128 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1nxi s HIS 129 N -1.92 1.83 0.00 1.57 3.76 -1.26 -5.16 115.29 114.11 1nxi s HIS 129 Ca 0.00 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 1nxi s HIS 129 Cb 0.00 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.27 1nxi s HIS 129 CO 0.00 -0.00 0.00 0.72 -0.85 0.00 0.00 174.74 174.61 1nxi n HIS 130 N -1.12 -1.15 -2.93 1.40 8.25 -1.26 -5.04 115.22 113.36 1nxi n HIS 130 Ca -0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 1nxi n HIS 130 Cb 0.66 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 1nxi n HIS 130 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nxi n HIS 131 N -0.38 3.16 0.00 4.41 -0.00 -1.26 -5.24 115.22 115.90 1nxi n HIS 131 Ca 0.00 -3.23 0.00 0.00 -0.00 0.00 0.00 57.72 54.49 1nxi n HIS 131 Cb 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.08 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06