#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 0.00 -3.69 6.12 3.41 -1.26 -5.07 113.62 113.13 1nxi n SER 2 Ca 0.00 -0.76 -0.20 0.00 -0.26 0.00 0.00 58.87 57.65 1nxi n SER 2 Cb 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 63.77 1nxi n SER 2 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nxi s HIS 3 N 0.21 0.14 -0.76 7.33 2.46 -1.26 -4.80 115.29 118.61 1nxi s HIS 3 Ca 0.00 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.72 1nxi s HIS 3 Cb 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 32.58 31.95 1nxi s HIS 3 CO 0.00 -0.20 0.00 0.94 -2.47 0.00 0.00 174.74 173.01 1nxi n GLN 4 N 5.16 -1.78 -3.39 2.88 7.27 -1.26 -4.84 117.38 121.42 1nxi n GLN 4 Ca -0.06 0.42 -0.12 0.00 0.07 0.00 0.00 57.00 57.31 1nxi n GLN 4 Cb 0.50 -4.76 -0.09 0.00 2.41 0.00 0.00 30.24 28.30 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nxi s ASP 5 N -1.82 0.72 -0.89 1.69 1.01 -1.26 -5.06 116.67 111.06 1nxi s ASP 5 Ca 0.00 -0.06 -0.17 0.00 0.71 0.00 0.00 52.55 53.04 1nxi s ASP 5 Cb 0.00 0.85 -0.24 0.00 1.01 0.00 0.00 42.92 44.54 1nxi s ASP 5 CO 0.00 -0.32 2.25 0.47 0.21 0.00 0.00 175.17 177.78 1nxi n ASP 6 N 5.35 0.06 0.00 0.27 8.00 -1.26 -4.64 116.55 124.32 1nxi n ASP 6 Ca -0.04 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1nxi n ASP 6 Cb 0.49 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1nxi n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nxi n TYR 7 N 11.79 -0.30 -3.65 1.24 4.11 -1.26 -4.55 117.16 124.54 1nxi n TYR 7 Ca 0.57 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 58.17 1nxi n TYR 7 Cb 0.28 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.48 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nxi s LEU 8 N 0.00 1.52 0.00 -3.48 1.43 -1.26 -4.96 118.68 111.94 1nxi s LEU 8 Ca 0.00 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 1nxi s LEU 8 Cb 0.00 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1nxi s LEU 8 CO 0.00 -0.42 0.00 -1.54 0.23 0.00 0.00 176.35 174.62 1nxi n SER 9 N 4.98 0.00 -0.14 2.29 3.41 -1.26 -4.90 113.62 117.99 1nxi n SER 9 Ca -0.03 0.00 0.25 0.00 -0.26 0.00 0.00 58.87 58.82 1nxi n SER 9 Cb 0.42 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.76 1nxi n SER 9 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1nxi h VAL 10 N 0.00 0.01 0.14 -3.33 -1.51 -1.94 0.67 116.25 110.29 1nxi h VAL 10 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1nxi h VAL 10 Cb 0.00 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.18 1nxi h VAL 10 CO 0.00 0.00 -0.07 -0.08 -1.23 0.00 0.00 177.57 176.19 1nxi h GLU 11 N 0.00 -0.18 0.71 5.19 4.81 -1.91 -2.24 114.58 120.97 1nxi h GLU 11 Ca 0.43 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1nxi h GLU 11 Cb 2.79 0.04 0.01 0.00 0.63 0.00 0.00 28.75 32.22 1nxi h GLU 11 CO -0.00 0.28 -0.34 0.93 -0.73 0.00 0.00 179.01 179.14 1nxi h GLU 12 N -0.78 -0.91 -0.79 1.92 5.08 -0.01 -2.29 114.58 116.79 1nxi h GLU 12 Ca -0.02 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.59 1nxi h GLU 12 Cb 0.54 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1nxi h GLU 12 CO 0.03 -0.58 0.12 -0.07 -1.00 0.00 0.00 179.01 177.51 1nxi h LEU 13 N -1.14 -0.16 0.06 1.33 3.38 -1.52 0.87 115.31 118.13 1nxi h LEU 13 Ca -0.10 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nxi h LEU 13 Cb 0.75 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1nxi h LEU 13 CO 0.16 -0.14 -0.04 0.40 0.09 0.00 0.00 178.44 178.91 1nxi h ILE 14 N 0.17 0.00 -0.96 1.22 2.04 -1.28 0.24 117.51 118.94 1nxi h ILE 14 Ca 0.46 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.61 1nxi h ILE 14 Cb 0.85 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.78 1nxi h ILE 14 CO -0.63 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 177.64 1nxi h GLU 15 N -0.09 0.28 -0.61 2.37 5.08 -0.96 0.52 114.58 121.17 1nxi h GLU 15 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nxi h GLU 15 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1nxi h GLU 15 CO 0.01 0.18 0.36 0.82 -1.00 0.00 0.00 179.01 179.38 1nxi h ILE 16 N 0.28 1.18 0.00 3.13 2.04 -0.49 -1.02 117.51 122.64 1nxi h ILE 16 Ca 0.67 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1nxi h ILE 16 Cb 1.49 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1nxi h ILE 16 CO -0.63 0.19 0.00 1.67 0.00 0.00 0.00 178.15 179.38 1nxi n GLN 17 N -4.60 0.17 0.08 2.37 -0.06 0.16 -2.44 117.38 113.05 1nxi n GLN 17 Ca 0.04 0.31 -0.21 0.00 -2.00 0.00 0.00 57.00 55.14 1nxi n GLN 17 Cb 0.06 -1.77 -0.14 0.00 -4.06 0.00 0.00 30.24 24.34 1nxi n GLN 17 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1nxi h LYS 18 N 0.00 0.47 -0.06 3.69 1.57 0.27 -2.51 116.57 119.99 1nxi h LYS 18 Ca 0.00 -0.69 -0.16 0.00 -1.87 0.00 0.00 60.65 57.94 1nxi h LYS 18 Cb 0.45 0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.01 1nxi h LYS 18 CO 0.00 1.31 -0.57 1.49 -0.57 0.00 0.00 179.45 181.10 1nxi h GLU 19 N -0.03 0.50 0.19 3.15 4.81 -1.39 -2.64 114.58 119.18 1nxi h GLU 19 Ca -0.17 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.60 1nxi h GLU 19 Cb 1.78 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1nxi h GLU 19 CO 0.20 1.09 -0.09 1.49 -0.73 0.00 0.00 179.01 180.97 1nxi h GLU 20 N 0.07 -0.25 0.47 1.92 4.57 -1.60 -2.67 114.58 117.09 1nxi h GLU 20 Ca -0.05 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1nxi h GLU 20 Cb 1.24 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 1nxi h GLU 20 CO 0.12 -0.13 -0.49 1.15 -1.18 0.00 0.00 179.01 178.48 1nxi h THR 21 N -0.31 0.04 -0.97 0.32 2.02 -1.53 -2.16 112.91 110.32 1nxi h THR 21 Ca -0.03 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.35 1nxi h THR 21 Cb 0.24 0.04 -0.18 0.00 -1.74 0.00 0.00 68.15 66.50 1nxi h THR 21 CO 0.04 0.00 -0.24 -1.14 0.37 0.00 0.00 175.52 174.56 1nxi n ARG 22 N -5.55 -0.09 -0.26 6.66 3.00 -1.00 0.15 116.66 119.57 1nxi n ARG 22 Ca -0.12 1.52 0.01 0.00 -0.00 0.00 0.00 57.85 59.26 1nxi n ARG 22 Cb 0.45 -2.27 0.14 0.00 0.00 0.00 0.00 32.46 30.78 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1nxi h ASP 23 N 0.00 0.54 0.50 6.15 1.82 -1.04 -1.02 116.42 123.37 1nxi h ASP 23 Ca 0.47 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 57.14 1nxi h ASP 23 Cb 0.72 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1nxi h ASP 23 CO -1.00 0.31 -0.24 0.40 -1.61 0.00 0.00 179.24 177.10 1nxi h ILE 24 N 0.67 0.00 -0.87 2.25 2.04 0.18 -1.12 117.51 120.66 1nxi h ILE 24 Ca 0.36 -0.17 0.17 0.00 1.00 0.00 0.00 64.86 66.22 1nxi h ILE 24 Cb 0.34 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.25 1nxi h ILE 24 CO -0.25 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.07 1nxi h ILE 25 N -0.84 0.12 0.47 -0.67 1.08 -1.04 0.96 117.51 117.59 1nxi h ILE 25 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1nxi h ILE 25 Cb 0.52 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1nxi h ILE 25 CO 0.11 0.00 -0.33 1.56 -0.69 0.00 0.00 178.15 178.80 1nxi h GLN 26 N -0.01 -0.76 -0.66 2.37 1.08 -1.16 -1.95 115.11 114.03 1nxi h GLN 26 Ca 0.41 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.79 1nxi h GLN 26 Cb 0.63 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 28.11 1nxi h GLN 26 CO -0.90 -0.50 -0.22 0.00 -0.95 0.00 0.00 178.83 176.26 1nxi h ALA 27 N -0.35 0.30 0.20 3.87 0.00 0.45 -0.82 119.26 122.92 1nxi h ALA 27 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nxi h ALA 27 Cb 0.66 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1nxi h ALA 27 CO 0.02 -0.50 -0.45 -0.07 0.00 0.00 0.00 179.25 178.25 1nxi h LEU 28 N -0.05 -1.32 -0.85 0.00 4.07 -0.71 -0.94 115.31 115.50 1nxi h LEU 28 Ca 0.30 0.13 0.18 0.00 0.08 0.00 0.00 57.88 58.57 1nxi h LEU 28 Cb 0.52 0.47 -0.16 0.00 1.08 0.00 0.00 40.66 42.58 1nxi h LEU 28 CO -0.70 -0.51 -0.17 -0.07 -1.08 0.00 0.00 178.44 175.90 1nxi h LEU 29 N -0.72 -0.73 -2.36 1.67 3.38 -0.48 2.87 115.31 118.94 1nxi h LEU 29 Ca -0.02 0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1nxi h LEU 29 Cb 0.68 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1nxi h LEU 29 CO -0.19 -0.28 0.13 -0.08 0.09 0.00 0.00 178.44 178.11 1nxi h GLU 30 N 0.01 0.00 0.00 1.13 4.81 -0.13 0.51 114.58 120.91 1nxi h GLU 30 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1nxi h GLU 30 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1nxi h GLU 30 CO -0.86 0.00 -0.09 -0.25 -0.73 0.00 0.00 179.01 177.09 1nxi n ASP 31 N -3.70 0.63 0.00 1.04 8.00 0.95 -4.89 116.55 118.58 1nxi n ASP 31 Ca -0.00 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1nxi n ASP 31 Cb 0.23 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1nxi n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxi n GLY 32 N 1.36 0.82 3.57 0.44 0.00 0.18 -4.96 105.19 106.59 1nxi n GLY 32 Ca 0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1nxi n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxi s SER 33 N -2.10 3.87 0.14 1.61 0.15 -1.18 -4.87 113.70 111.32 1nxi s SER 33 Ca 0.00 -0.61 -0.34 0.00 0.70 0.00 0.00 55.95 55.69 1nxi s SER 33 Cb 0.00 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 1nxi s SER 33 CO 0.00 -4.13 1.33 0.47 1.20 0.00 0.00 173.24 172.11 1nxi n ASP 34 N 18.42 1.91 0.00 5.45 8.00 -1.26 -4.73 116.55 144.34 1nxi n ASP 34 Ca 0.44 1.12 0.09 0.00 0.71 0.00 0.00 54.79 57.15 1nxi n ASP 34 Cb 0.45 -1.26 0.46 0.00 -0.02 0.00 0.00 41.12 40.75 1nxi n ASP 34 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1nxi n PRO 35 N 2.37 0.33 0.00 -0.24 -0.04 -1.26 -2.52 135.00 133.64 1nxi n PRO 35 Ca 0.16 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1nxi n PRO 35 Cb 0.24 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.81 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nxi n ASP 36 N -1.21 0.38 -0.76 3.54 9.92 -1.26 -3.27 116.55 123.88 1nxi n ASP 36 Ca 0.10 -0.44 0.08 0.00 -0.53 0.00 0.00 54.79 54.00 1nxi n ASP 36 Cb 0.12 -0.11 0.25 0.00 -0.64 0.00 0.00 41.12 40.73 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nxi n ALA 37 N -1.06 2.45 -1.29 2.24 0.00 -1.05 -5.04 120.51 116.77 1nxi n ALA 37 Ca 0.14 -0.71 0.09 0.00 0.00 0.00 0.00 53.44 52.95 1nxi n ALA 37 Cb 0.28 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 0.71 -0.93 -3.98 0.00 7.94 -1.20 -4.95 117.00 114.58 1nxi n LEU 38 Ca 0.15 1.93 -0.15 0.00 -1.11 0.00 0.00 56.01 56.83 1nxi n LEU 38 Cb 0.38 -2.73 -0.14 0.00 0.53 0.00 0.00 43.42 41.46 1nxi n LEU 38 CO 0.11 -1.32 -0.40 -0.31 -1.11 0.00 0.00 177.39 174.36 1nxi s TYR 39 N -4.70 0.51 -0.33 1.96 1.51 -0.92 -4.89 117.35 110.50 1nxi s TYR 39 Ca 0.00 -0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 55.76 1nxi s TYR 39 Cb 0.00 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1nxi s TYR 39 CO 0.00 -0.02 0.28 -2.00 -1.11 0.00 0.00 175.55 172.70 1nxi s GLU 40 N -0.41 3.61 -0.11 -0.62 2.12 -1.26 -2.05 118.70 119.98 1nxi s GLU 40 Ca -0.00 -0.48 -0.08 0.00 0.36 0.00 0.00 54.97 54.77 1nxi s GLU 40 Cb -0.04 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1nxi s GLU 40 CO -0.00 -0.42 0.17 0.42 -0.54 0.00 0.00 175.26 174.88 1nxi s ILE 41 N 1.84 5.46 0.05 -3.70 -1.09 0.61 -3.82 121.20 120.56 1nxi s ILE 41 Ca 0.09 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 1nxi s ILE 41 Cb -0.17 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1nxi s ILE 41 CO 0.11 0.61 -0.18 -1.83 -1.23 0.00 0.00 174.94 172.41 1nxi s GLU 42 N -1.07 1.19 0.06 2.79 -1.05 -0.90 -0.37 118.70 119.35 1nxi s GLU 42 Ca 0.16 -0.92 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1nxi s GLU 42 Cb -0.12 -1.29 -0.03 0.00 -0.44 0.00 0.00 34.13 32.25 1nxi s GLU 42 CO 0.05 0.32 -0.19 -1.01 0.95 0.00 0.00 175.26 175.38 1nxi s HIS 43 N -0.89 1.65 -0.16 4.83 3.76 -0.52 -2.20 115.29 121.75 1nxi s HIS 43 Ca 0.05 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1nxi s HIS 43 Cb -0.09 -0.95 -0.01 0.00 1.11 0.00 0.00 32.58 32.64 1nxi s HIS 43 CO 0.02 0.11 -0.11 -1.01 -0.85 0.00 0.00 174.74 172.90 1nxi s HIS 44 N -0.96 2.85 -0.02 1.40 3.76 0.47 -2.08 115.29 120.71 1nxi s HIS 44 Ca 0.05 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 1nxi s HIS 44 Cb -0.09 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1nxi s HIS 44 CO 0.02 -0.37 -0.07 -0.51 -0.85 0.00 0.00 174.74 172.96 1nxi s LEU 45 N 0.79 1.78 0.31 0.89 1.02 -1.04 -3.89 118.68 118.53 1nxi s LEU 45 Ca -0.04 -0.15 0.10 0.00 0.02 0.00 0.00 54.13 54.06 1nxi s LEU 45 Cb -0.15 -0.44 -0.06 0.00 0.02 0.00 0.00 46.19 45.56 1nxi s LEU 45 CO 0.01 0.05 -0.12 -0.36 0.02 0.00 0.00 176.35 175.95 1nxi s PHE 46 N 0.21 2.28 0.36 0.29 0.08 -1.25 -1.79 117.98 118.15 1nxi s PHE 46 Ca -0.03 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1nxi s PHE 46 Cb -0.07 -1.22 -0.00 0.00 -0.57 0.00 0.00 43.02 41.15 1nxi s PHE 46 CO 0.00 0.57 0.44 0.00 -0.10 0.00 0.00 175.22 176.12 1nxi s ALA 47 N -2.66 1.16 0.00 5.36 0.00 -1.02 -3.69 121.76 120.91 1nxi s ALA 47 Ca 0.31 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1nxi s ALA 47 Cb 0.01 1.25 0.00 0.00 0.00 0.00 0.00 23.12 24.37 1nxi s ALA 47 CO 0.15 -0.76 0.00 0.39 0.00 0.00 0.00 175.76 175.54 1nxi n GLU 48 N -0.62 3.42 -3.60 0.00 1.02 -1.26 -3.77 120.64 115.84 1nxi n GLU 48 Ca 0.03 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.77 1nxi n GLU 48 Cb 0.61 -0.94 -0.09 0.00 -0.02 0.00 0.00 31.44 31.00 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nxi s ASP 49 N -2.73 5.62 0.26 1.62 1.11 -1.26 -4.94 116.67 116.35 1nxi s ASP 49 Ca 0.00 -1.83 0.11 0.00 0.18 0.00 0.00 52.55 51.00 1nxi s ASP 49 Cb 0.00 -1.98 0.84 0.00 1.07 0.00 0.00 42.92 42.85 1nxi s ASP 49 CO 0.00 -0.64 1.15 0.49 1.18 0.00 0.00 175.17 177.35 1nxi n PHE 50 N 4.87 0.72 0.00 4.23 3.01 -1.26 -1.06 117.46 127.97 1nxi n PHE 50 Ca -0.08 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.25 1nxi n PHE 50 Cb 0.41 -1.21 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 1nxi n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nxi n ASP 51 N -4.77 0.00 -0.08 4.37 2.03 -1.26 -0.73 116.55 116.11 1nxi n ASP 51 Ca 0.24 0.69 0.25 0.00 0.52 0.00 0.00 54.79 56.50 1nxi n ASP 51 Cb 0.81 -0.19 0.60 0.00 -0.72 0.00 0.00 41.12 41.62 1nxi n ASP 51 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1nxi h LYS 52 N 0.00 0.00 0.41 -0.67 1.63 -1.52 0.93 116.57 117.35 1nxi h LYS 52 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1nxi h LYS 52 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nxi h LYS 52 CO 0.00 0.00 -0.20 1.25 -3.45 0.00 0.00 179.45 177.05 1nxi h LEU 53 N 0.00 -0.46 -1.82 5.20 6.46 0.28 -1.23 115.31 123.74 1nxi h LEU 53 Ca 0.36 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1nxi h LEU 53 Cb 2.05 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 42.09 1nxi h LEU 53 CO -0.00 -0.10 0.01 -0.08 -0.62 0.00 0.00 178.44 177.64 1nxi h GLU 54 N -0.88 0.12 0.61 1.25 4.81 0.14 0.12 114.58 120.74 1nxi h GLU 54 Ca -0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1nxi h GLU 54 Cb 0.55 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1nxi h GLU 54 CO 0.09 0.13 -0.29 0.87 -0.73 0.00 0.00 179.01 179.08 1nxi h LYS 55 N 0.12 -0.78 -0.66 1.92 1.79 -1.22 -0.09 116.57 117.64 1nxi h LYS 55 Ca 0.03 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1nxi h LYS 55 Cb 0.07 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1nxi h LYS 55 CO -0.00 -0.50 0.34 0.00 -1.08 0.00 0.00 179.45 178.21 1nxi h ALA 56 N -1.12 1.36 -0.10 3.86 0.00 -1.06 -2.47 119.26 119.73 1nxi h ALA 56 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nxi h ALA 56 Cb 0.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nxi h ALA 56 CO 0.14 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.93 1nxi h ALA 57 N 1.45 0.13 -0.34 0.00 0.00 -0.76 -1.71 119.26 118.04 1nxi h ALA 57 Ca 0.23 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1nxi h ALA 57 Cb 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1nxi h ALA 57 CO -0.03 -0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.21 1nxi h VAL 58 N -0.01 0.74 0.59 0.00 2.07 -0.68 -2.63 116.25 116.33 1nxi h VAL 58 Ca 0.03 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1nxi h VAL 58 Cb 0.19 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1nxi h VAL 58 CO -0.00 0.01 -0.36 -0.08 0.02 0.00 0.00 177.57 177.16 1nxi h GLU 59 N 0.08 -0.86 -0.74 1.57 4.57 -1.31 -1.54 114.58 116.36 1nxi h GLU 59 Ca 0.16 0.06 0.25 0.00 -1.18 0.00 0.00 59.36 58.65 1nxi h GLU 59 Cb 0.23 0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 28.88 1nxi h GLU 59 CO -0.28 -0.57 0.17 0.00 -1.18 0.00 0.00 179.01 177.15 1nxi n ALA 60 N -2.57 0.54 0.23 2.92 0.00 -0.65 0.42 120.51 121.40 1nxi n ALA 60 Ca -0.11 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1nxi n ALA 60 Cb 0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 1nxi n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1nxi h PHE 61 N 0.00 -0.58 -0.07 0.00 3.57 -1.06 -2.71 116.94 116.10 1nxi h PHE 61 Ca 0.52 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.03 1nxi h PHE 61 Cb 1.23 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1nxi h PHE 61 CO -0.22 -0.27 0.48 0.87 -2.23 0.00 0.00 178.31 176.94 1nxi h LYS 62 N -1.04 0.00 0.06 1.11 1.57 0.97 -0.22 116.57 119.03 1nxi h LYS 62 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1nxi h LYS 62 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1nxi h LYS 62 CO 0.11 0.00 -0.03 1.98 -0.57 0.00 0.00 179.45 180.93 1nxi h MET 63 N 0.00 -0.08 0.00 3.15 4.05 -0.59 -3.47 114.93 117.98 1nxi h MET 63 Ca 0.03 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1nxi h MET 63 Cb 1.00 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1nxi h MET 63 CO -0.00 0.50 0.00 0.41 0.23 0.00 0.00 176.91 178.05 1nxi n GLY 64 N 0.88 0.00 3.36 1.39 0.00 -0.10 -5.12 105.19 105.62 1nxi n GLY 64 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 1.92 -1.16 1.61 0.40 -1.15 -4.90 117.98 114.71 1nxi s PHE 65 Ca 0.00 -0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 1nxi s PHE 65 Cb 0.00 -0.93 0.25 0.00 0.51 0.00 0.00 43.02 42.86 1nxi s PHE 65 CO 0.00 0.41 1.61 0.39 0.70 0.00 0.00 175.22 178.33 1nxi n GLU 66 N 0.05 4.12 -1.06 0.44 1.02 0.11 -4.43 120.64 120.89 1nxi n GLU 66 Ca -0.11 -4.17 -0.36 0.00 -0.02 0.00 0.00 57.16 52.50 1nxi n GLU 66 Cb 0.58 -2.67 0.05 0.00 -0.02 0.00 0.00 31.44 29.38 1nxi n GLU 66 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1nxi n VAL 67 N 2.15 0.37 -3.97 2.62 3.14 -1.26 -2.08 118.33 119.30 1nxi n VAL 67 Ca 0.31 -0.42 -0.15 0.00 -2.96 0.00 0.00 64.34 61.12 1nxi n VAL 67 Cb 0.35 -0.26 -0.15 0.00 -1.06 0.00 0.00 33.84 32.71 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 4.09 1.69 1.00 6.55 2.96 1.56 -4.81 118.68 131.73 1nxi s LEU 68 Ca 0.52 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.21 1nxi s LEU 68 Cb -0.28 -0.15 -0.08 0.00 0.50 0.00 0.00 46.19 46.17 1nxi s LEU 68 CO 0.72 -0.02 -0.53 -0.62 -1.32 0.00 0.00 176.35 174.58 1nxi n GLU 69 N 3.44 -0.24 -3.89 1.98 1.02 -1.26 -1.93 120.64 119.75 1nxi n GLU 69 Ca -0.18 -0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.64 1nxi n GLU 69 Cb 0.56 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxi n ALA 70 N -3.16 0.86 -3.43 0.62 0.00 -1.26 -3.95 120.51 110.19 1nxi n ALA 70 Ca 0.01 -2.26 -0.04 0.00 0.00 0.00 0.00 53.44 51.15 1nxi n ALA 70 Cb 0.59 0.93 -0.01 0.00 0.00 0.00 0.00 19.45 20.97 1nxi n ALA 70 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1nxi n GLU 71 N -1.81 0.49 -3.50 0.00 0.00 -1.22 -4.88 120.64 109.73 1nxi n GLU 71 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 57.16 56.16 1nxi n GLU 71 Cb 0.64 0.38 -0.08 0.00 0.00 0.00 0.00 31.44 32.37 1nxi n GLU 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1nxi s GLU 72 N -2.24 2.69 0.00 3.44 2.02 -1.26 -3.76 118.70 119.59 1nxi s GLU 72 Ca 0.05 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1nxi s GLU 72 Cb 0.00 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.25 1nxi s GLU 72 CO 0.03 -1.11 0.00 -2.37 0.02 0.00 0.00 175.26 171.83 1nxi n THR 73 N 5.02 0.00 -3.70 3.63 5.66 -1.25 -4.99 114.28 118.65 1nxi n THR 73 Ca -0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.78 1nxi n THR 73 Cb 0.42 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 1nxi n THR 73 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1nxi s GLU 74 N 1.57 0.50 0.88 1.09 2.12 -1.26 -3.55 118.70 120.05 1nxi s GLU 74 Ca 0.00 0.75 -0.14 0.00 0.36 0.00 0.00 54.97 55.95 1nxi s GLU 74 Cb 0.00 0.14 0.13 0.00 0.26 0.00 0.00 34.13 34.66 1nxi s GLU 74 CO 0.00 -0.11 1.22 0.34 -0.54 0.00 0.00 175.26 176.17 1nxi s ASP 75 N 0.83 3.81 0.00 -1.70 2.15 -1.23 -4.86 116.67 115.67 1nxi s ASP 75 Ca -0.05 0.64 0.04 0.00 0.43 0.00 0.00 52.55 53.62 1nxi s ASP 75 Cb -0.05 -1.00 0.25 0.00 -0.30 0.00 0.00 42.92 41.81 1nxi s ASP 75 CO -0.06 -2.33 0.61 -0.62 -0.17 0.00 0.00 175.17 172.59 1nxi n GLU 76 N -3.57 0.23 -0.05 4.34 4.71 -1.26 -1.52 120.64 123.52 1nxi n GLU 76 Ca 0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1nxi n GLU 76 Cb 0.60 -1.28 -0.14 0.00 -1.01 0.00 0.00 31.44 29.61 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 -0.78 0.28 -0.06 1.62 2.03 -1.26 -5.01 116.55 113.38 1nxi n ASP 77 Ca 0.03 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1nxi n ASP 77 Cb 0.01 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 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 1.58 0.74 2.90 0.27 0.00 -0.57 -5.11 105.19 105.00 1nxi n GLY 78 Ca -0.22 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.60 0.95 0.26 1.61 2.47 -1.26 -4.97 114.94 112.40 1nxi s ASN 79 Ca 0.00 -0.13 -0.30 0.00 0.42 0.00 0.00 52.86 52.85 1nxi s ASN 79 Cb 0.00 -0.46 -0.10 0.00 -1.45 0.00 0.00 41.25 39.25 1nxi s ASN 79 CO 0.00 -0.05 1.30 -0.75 -3.72 0.00 0.00 177.10 173.89 1nxi s LYS 80 N 0.88 4.39 0.00 0.43 2.20 -1.26 -3.49 119.74 122.89 1nxi s LYS 80 Ca -0.12 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1nxi s LYS 80 Cb -0.14 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1nxi s LYS 80 CO 0.00 -0.20 0.00 1.47 -0.36 0.00 0.00 175.35 176.26 1nxi n LEU 81 N 1.80 0.00 -4.19 5.43 -0.00 -1.23 -5.03 117.00 113.77 1nxi n LEU 81 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.80 1nxi n LEU 81 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.70 1nxi n LEU 81 CO 0.58 0.00 -0.50 -0.76 -0.00 0.00 0.00 177.39 176.71 1nxi s LEU 82 N 0.00 2.11 -0.19 1.47 1.02 -1.25 -3.82 118.68 118.03 1nxi s LEU 82 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 1nxi s LEU 82 Cb 0.00 -0.86 0.06 0.00 0.02 0.00 0.00 46.19 45.41 1nxi s LEU 82 CO 0.00 0.15 0.04 0.00 0.02 0.00 0.00 176.35 176.57 1nxi s PHE 84 N 1.90 3.48 0.26 0.00 -0.71 -0.74 -3.37 117.98 118.80 1nxi s PHE 84 Ca -0.00 0.30 0.11 0.00 -1.04 0.00 0.00 56.93 56.29 1nxi s PHE 84 Cb -0.17 -1.82 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 1nxi s PHE 84 CO -0.08 0.41 -0.12 0.34 -1.34 0.00 0.00 175.22 174.43 1nxi s ASP 85 N -3.16 4.00 0.01 1.98 -1.08 -0.81 -2.49 116.67 115.12 1nxi s ASP 85 Ca 0.38 -0.84 0.01 0.00 -0.52 0.00 0.00 52.55 51.58 1nxi s ASP 85 Cb -0.11 -0.54 -0.01 0.00 -1.46 0.00 0.00 42.92 40.80 1nxi s ASP 85 CO 0.29 0.03 -0.04 0.00 0.52 0.00 0.00 175.17 175.97 1nxi s ALA 86 N -2.34 0.29 0.15 3.66 0.00 -0.89 0.45 121.76 123.09 1nxi s ALA 86 Ca 0.30 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 52.06 1nxi s ALA 86 Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1nxi s ALA 86 CO 0.17 0.02 -0.19 0.95 0.00 0.00 0.00 175.76 176.70 1nxi s THR 87 N -0.47 2.69 -0.12 0.00 -4.23 -0.88 -1.44 115.64 111.19 1nxi s THR 87 Ca -0.03 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1nxi s THR 87 Cb -0.04 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.57 1nxi s THR 87 CO -0.00 -0.01 0.32 -0.32 -0.54 0.00 0.00 174.62 174.07 1nxi s MET 88 N -2.42 0.38 -0.28 3.99 1.75 0.50 0.10 119.30 123.31 1nxi s MET 88 Ca 0.20 0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 55.01 1nxi s MET 88 Cb -0.09 0.18 -0.00 0.00 2.84 0.00 0.00 34.83 37.76 1nxi s MET 88 CO 0.10 -0.05 0.08 1.14 -0.65 0.00 0.00 175.02 175.65 1nxi s GLN 89 N 0.16 3.24 0.06 4.11 0.00 -1.26 -0.28 119.66 125.68 1nxi s GLN 89 Ca -0.00 -0.76 -0.15 0.00 -0.00 0.00 0.00 55.36 54.46 1nxi s GLN 89 Cb -0.02 -3.36 0.02 0.00 0.00 0.00 0.00 33.01 29.65 1nxi s GLN 89 CO 0.00 -0.38 0.33 -1.54 0.00 0.00 0.00 175.29 173.71 1nxi s SER 90 N 1.53 -0.15 0.78 12.60 1.04 -0.87 -4.98 113.70 123.65 1nxi s SER 90 Ca 0.04 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 1nxi s SER 90 Cb -0.17 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.41 1nxi s SER 90 CO 0.03 -0.66 1.19 0.00 0.98 0.00 0.00 173.24 174.78 1nxi s ALA 91 N -2.76 1.93 -0.68 5.32 0.00 -1.26 -2.16 121.76 122.14 1nxi s ALA 91 Ca -0.03 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 1nxi s ALA 91 Cb -0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1nxi s ALA 91 CO -0.05 -2.15 1.72 -1.17 0.00 0.00 0.00 175.76 174.12 1nxi s LEU 92 N -5.58 3.25 -0.10 0.00 2.96 -1.26 -4.79 118.68 113.16 1nxi s LEU 92 Ca 0.72 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1nxi s LEU 92 Cb -0.28 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 43.92 1nxi s LEU 92 CO 0.49 -2.26 0.23 -0.62 -1.32 0.00 0.00 176.35 172.88 1nxi s ASP 93 N 6.97 -0.08 0.31 3.68 -1.08 -1.26 -4.98 116.67 120.23 1nxi s ASP 93 Ca 0.59 0.49 0.04 0.00 -0.52 0.00 0.00 52.55 53.16 1nxi s ASP 93 Cb -0.11 0.42 0.53 0.00 -1.46 0.00 0.00 42.92 42.30 1nxi s ASP 93 CO 0.16 -0.18 1.80 0.00 0.52 0.00 0.00 175.17 177.47 1nxi h ALA 94 N 7.46 1.24 0.01 3.66 0.00 -1.98 -2.11 119.26 127.56 1nxi h ALA 94 Ca -0.35 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.29 1nxi h ALA 94 Cb 1.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1nxi h ALA 94 CO 0.33 0.49 -0.09 -0.22 0.00 0.00 0.00 179.25 179.76 1nxi h LYS 95 N 0.41 -0.15 0.12 0.00 3.64 -1.99 -0.53 116.57 118.07 1nxi h LYS 95 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1nxi h LYS 95 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1nxi h LYS 95 CO 0.03 -0.10 -0.06 1.25 -2.27 0.00 0.00 179.45 178.30 1nxi h LEU 96 N -0.16 -0.14 -1.43 5.20 5.85 -1.90 -2.47 115.31 120.26 1nxi h LEU 96 Ca 0.03 0.00 0.44 0.00 0.84 0.00 0.00 57.88 59.20 1nxi h LEU 96 Cb 0.19 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1nxi h LEU 96 CO -0.08 -0.08 1.00 -0.38 -0.34 0.00 0.00 178.44 178.55 1nxi n ILE 97 N -2.53 -0.09 0.22 4.05 5.41 -0.81 0.12 119.36 125.74 1nxi n ILE 97 Ca -0.02 1.34 -0.14 0.00 1.00 0.00 0.00 62.75 64.93 1nxi n ILE 97 Cb 0.06 -2.22 -0.07 0.00 -0.71 0.00 0.00 39.64 36.70 1nxi n ILE 97 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1nxi h ASP 98 N 0.00 -0.50 -0.53 4.38 5.19 -0.69 -0.71 116.42 123.57 1nxi h ASP 98 Ca 0.76 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 57.02 1nxi h ASP 98 Cb 2.81 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 42.42 1nxi h ASP 98 CO -0.16 -0.13 0.16 -0.33 -3.12 0.00 0.00 179.24 175.65 1nxi h GLU 99 N -0.92 0.87 0.25 3.56 5.08 0.13 0.14 114.58 123.69 1nxi h GLU 99 Ca -0.06 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1nxi h GLU 99 Cb 0.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1nxi h GLU 99 CO 0.10 0.77 -0.19 0.37 -1.00 0.00 0.00 179.01 179.05 1nxi h GLN 100 N 0.84 -0.43 0.63 2.33 5.75 -0.65 -1.31 115.11 122.27 1nxi h GLN 100 Ca 0.19 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1nxi h GLN 100 Cb 0.27 0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.93 1nxi h GLN 100 CO -0.01 -0.29 -0.30 0.28 -2.65 0.00 0.00 178.83 175.86 1nxi h VAL 101 N -0.45 0.14 -1.68 2.39 2.07 -0.89 -1.99 116.25 115.84 1nxi h VAL 101 Ca -0.02 -0.35 0.52 0.00 0.82 0.00 0.00 66.70 67.68 1nxi h VAL 101 Cb 0.40 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1nxi h VAL 101 CO -0.01 0.02 1.17 1.21 0.02 0.00 0.00 177.57 179.98 1nxi n GLU 102 N -5.35 -0.02 0.06 1.57 2.13 0.48 -0.26 120.64 119.25 1nxi n GLU 102 Ca -0.11 1.14 -0.04 0.00 0.66 0.00 0.00 57.16 58.81 1nxi n GLU 102 Cb 0.35 -2.45 -0.02 0.00 0.27 0.00 0.00 31.44 29.60 1nxi n GLU 102 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1nxi h LYS 103 N 0.00 -0.24 -0.36 5.31 1.79 -0.89 -2.62 116.57 119.57 1nxi h LYS 103 Ca 0.90 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 59.49 1nxi h LYS 103 Cb 3.31 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 34.00 1nxi h LYS 103 CO -0.21 -0.16 0.56 -0.07 -1.08 0.00 0.00 179.45 178.49 1nxi h LEU 104 N -1.01 0.00 0.21 2.94 3.38 0.13 -1.31 115.31 119.65 1nxi h LEU 104 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1nxi h LEU 104 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1nxi h LEU 104 CO 0.04 0.00 -0.10 0.58 0.09 0.00 0.00 178.44 179.05 1nxi h VAL 105 N 0.00 0.00 -0.62 1.22 2.07 -0.69 -1.96 116.25 116.27 1nxi h VAL 105 Ca 0.17 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 67.15 1nxi h VAL 105 Cb 1.29 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1nxi h VAL 105 CO -0.00 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.41 1nxi h ASN 106 N -0.96 -0.19 0.53 0.57 2.35 -0.90 -1.68 115.58 115.29 1nxi h ASN 106 Ca -0.03 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1nxi h ASN 106 Cb 0.22 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1nxi h ASN 106 CO 0.05 -0.08 -0.39 0.25 -1.65 0.00 0.00 177.43 175.61 1nxi h LEU 107 N 0.15 -1.00 -0.65 1.61 5.85 -1.38 0.41 115.31 120.30 1nxi h LEU 107 Ca 0.33 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.18 1nxi h LEU 107 Cb 0.53 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 1nxi h LEU 107 CO -0.50 -0.57 -0.44 0.00 -0.34 0.00 0.00 178.44 176.58 1nxi h ALA 108 N -0.55 -0.48 -0.92 1.25 0.00 -0.51 0.62 119.26 118.67 1nxi h ALA 108 Ca -0.06 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1nxi h ALA 108 Cb 0.75 1.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 1nxi h ALA 108 CO 0.02 -0.77 0.59 0.93 0.00 0.00 0.00 179.25 180.02 1nxi h GLU 109 N -0.07 0.85 -0.99 0.00 4.39 -1.26 0.06 114.58 117.56 1nxi h GLU 109 Ca 0.11 -0.05 0.24 0.00 0.34 0.00 0.00 59.36 59.99 1nxi h GLU 109 Cb 0.35 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.72 1nxi h GLU 109 CO -0.65 0.57 0.64 -0.22 -1.16 0.00 0.00 179.01 178.19 1nxi h LYS 110 N 0.88 0.39 0.00 2.33 3.64 0.25 -3.31 116.57 120.76 1nxi h LYS 110 Ca 0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1nxi h LYS 110 Cb 0.49 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1nxi h LYS 110 CO -0.20 0.26 0.00 1.19 -2.27 0.00 0.00 179.45 178.43 1nxi n PHE 111 N -4.56 0.00 0.00 1.91 3.72 -0.09 -5.04 117.46 113.39 1nxi n PHE 111 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1nxi n PHE 111 Cb 0.80 -0.02 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 -1.64 0.00 -4.77 4.37 8.00 -0.61 -5.12 116.55 116.79 1nxi n ASP 112 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1nxi n ASP 112 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.72 0.06 0.53 -4.36 -1.13 -4.81 121.20 113.21 1nxi s ILE 113 Ca 0.00 -1.80 0.09 0.00 -0.26 0.00 0.00 60.65 58.68 1nxi s ILE 113 Cb 0.00 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1nxi s ILE 113 CO 0.00 0.00 -0.23 -0.51 0.24 0.00 0.00 174.94 174.44 1nxi s ILE 114 N -2.75 2.47 -0.39 8.37 2.07 -1.24 -4.13 121.20 125.60 1nxi s ILE 114 Ca 0.26 -1.39 -0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1nxi s ILE 114 Cb 0.03 -2.03 0.11 0.00 0.13 0.00 0.00 42.46 40.69 1nxi s ILE 114 CO 0.15 0.28 0.16 -0.47 -1.91 0.00 0.00 174.94 173.15 1nxi s TYR 115 N -0.93 3.63 -0.44 3.50 5.04 -1.26 -3.89 117.35 123.00 1nxi s TYR 115 Ca 0.14 -2.56 0.05 0.00 -2.44 0.00 0.00 57.07 52.26 1nxi s TYR 115 Cb -0.10 -3.14 0.18 0.00 0.35 0.00 0.00 41.96 39.24 1nxi s TYR 115 CO 0.05 -0.97 0.52 -0.51 -1.34 0.00 0.00 175.55 173.30 1nxi s ASP 116 N 1.59 0.04 0.00 4.32 1.01 -1.25 -5.02 116.67 117.36 1nxi s ASP 116 Ca 0.09 -2.08 0.00 0.00 0.71 0.00 0.00 52.55 51.27 1nxi s ASP 116 Cb -0.22 0.85 0.00 0.00 1.01 0.00 0.00 42.92 44.56 1nxi s ASP 116 CO -0.05 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1nxi n GLY 117 N 3.28 -1.74 3.49 0.21 0.00 -1.26 -4.91 105.19 104.26 1nxi n GLY 117 Ca 0.20 0.73 -0.26 0.00 0.00 0.00 0.00 46.02 46.69 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 2.42 0.00 1.61 1.48 -1.26 -0.39 118.94 122.79 1nxi s TRP 118 Ca 0.00 -0.31 0.00 0.00 -1.06 0.00 0.00 56.10 54.73 1nxi s TRP 118 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 33.47 31.16 1nxi s TRP 118 CO 0.00 0.55 0.00 0.41 -4.06 0.00 0.00 176.95 173.85 1nxi n GLY 119 N -0.05 1.91 3.83 3.67 0.00 -0.93 -5.02 105.19 108.60 1nxi n GLY 119 Ca -0.10 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1nxi n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nxi s THR 120 N -2.00 1.68 -0.23 2.61 -1.32 -1.26 -2.12 115.64 112.99 1nxi s THR 120 Ca 0.00 -1.67 -0.07 0.00 -1.21 0.00 0.00 61.69 58.74 1nxi s THR 120 Cb 0.00 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1nxi s THR 120 CO 0.00 0.00 0.07 -0.31 -2.21 0.00 0.00 174.62 172.17 1nxi s TYR 121 N -2.76 3.12 0.23 9.09 2.02 -1.25 -5.01 117.35 122.79 1nxi s TYR 121 Ca 0.28 -0.30 -0.21 0.00 -0.37 0.00 0.00 57.07 56.47 1nxi s TYR 121 Cb 0.00 -2.20 -0.14 0.00 -0.40 0.00 0.00 41.96 39.22 1nxi s TYR 121 CO 0.17 -0.24 0.30 0.98 -1.57 0.00 0.00 175.55 175.19 1nxi n TYR 122 N 4.61 -0.92 -3.15 2.71 4.19 -1.26 -4.85 117.16 118.50 1nxi n TYR 122 Ca -0.16 0.71 -0.39 0.00 3.31 0.00 0.00 57.90 61.37 1nxi n TYR 122 Cb 0.52 -1.60 -0.05 0.00 0.49 0.00 0.00 39.34 38.70 1nxi n TYR 122 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1nxi s GLU 123 N -0.84 4.33 -0.13 2.98 0.41 -1.26 -4.39 118.70 119.80 1nxi s GLU 123 Ca 0.52 0.65 -0.00 0.00 -0.41 0.00 0.00 54.97 55.74 1nxi s GLU 123 Cb -0.69 -3.49 -0.00 0.00 -1.78 0.00 0.00 34.13 28.17 1nxi s GLU 123 CO 0.49 -0.01 0.12 0.41 -0.49 0.00 0.00 175.26 175.78 1nxi n GLY 124 N 3.40 -0.31 3.48 -1.39 0.00 -1.26 -4.84 105.19 104.27 1nxi n GLY 124 Ca -0.03 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1nxi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nxi n LEU 125 N -1.21 2.53 0.00 0.99 4.77 -1.26 -4.87 117.00 117.94 1nxi n LEU 125 Ca -0.00 -2.73 -0.02 0.00 -0.03 0.00 0.00 56.01 53.23 1nxi n LEU 125 Cb 0.50 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 1nxi n LEU 125 CO 0.09 -2.09 0.05 -0.62 -1.33 0.00 0.00 177.39 173.49 1nxi n GLU 126 N 7.97 0.71 -0.05 3.23 1.02 -1.26 -5.08 120.64 127.19 1nxi n GLU 126 Ca 0.45 -0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1nxi n GLU 126 Cb 0.45 -0.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.79 1nxi n GLU 126 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1nxi n HIS 127 N -1.37 0.00 -2.12 -0.32 8.25 -1.26 -5.06 115.22 113.33 1nxi n HIS 127 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1nxi n HIS 127 Cb 0.06 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1nxi n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nxi n HIS 128 N -3.97 -0.12 0.00 4.41 8.25 -1.26 -5.08 115.22 117.45 1nxi n HIS 128 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1nxi n HIS 128 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1nxi n HIS 128 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1nxi n HIS 129 N -0.04 -0.04 -3.07 4.41 -0.00 -1.26 -5.05 115.22 110.17 1nxi n HIS 129 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1nxi n HIS 129 Cb 0.00 0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 30.10 1nxi n HIS 129 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1nxi s HIS 130 N -1.56 3.36 -0.51 1.57 3.76 -1.26 -5.02 115.29 115.63 1nxi s HIS 130 Ca 0.00 0.97 -0.12 0.00 -0.15 0.00 0.00 55.06 55.76 1nxi s HIS 130 Cb 0.00 -2.86 0.13 0.00 1.11 0.00 0.00 32.58 30.96 1nxi s HIS 130 CO 0.00 -0.23 0.42 -3.38 -0.85 0.00 0.00 174.74 170.71 1nxi s HIS 131 N 2.12 3.36 -2.88 1.40 -3.43 -1.26 -5.23 115.29 109.38 1nxi s HIS 131 Ca 0.30 -1.65 0.25 0.00 -0.80 0.00 0.00 55.06 53.16 1nxi s HIS 131 Cb -0.16 -3.63 0.40 0.00 -1.43 0.00 0.00 32.58 27.76 1nxi s HIS 131 CO 0.10 -1.00 1.38 1.58 -2.00 0.00 0.00 174.74 174.79