#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxx s LYS 3 N 0.00 3.12 -0.16 1.97 2.20 -1.26 -1.47 119.74 124.14 1nxx s LYS 3 Ca 0.00 -0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1nxx s LYS 3 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 1nxx s LYS 3 CO 0.00 -0.00 -0.03 0.42 -0.36 0.00 0.00 175.35 175.38 1nxx s ILE 4 N 0.82 3.96 -0.31 5.43 1.01 0.08 -0.80 121.20 131.39 1nxx s ILE 4 Ca -0.06 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1nxx s ILE 4 Cb -0.15 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1nxx s ILE 4 CO -0.01 0.48 0.37 -0.22 0.00 0.00 0.00 174.94 175.57 1nxx s LEU 5 N 0.44 4.26 -0.26 2.97 2.96 -0.49 -1.21 118.68 127.34 1nxx s LEU 5 Ca -0.03 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 1nxx s LEU 5 Cb -0.14 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1nxx s LEU 5 CO 0.03 -0.28 0.24 -0.63 -1.32 0.00 0.00 176.35 174.38 1nxx s ILE 6 N 2.07 5.29 -0.39 6.68 1.01 -0.25 -1.16 121.20 134.44 1nxx s ILE 6 Ca 0.13 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 1nxx s ILE 6 Cb -0.16 -3.57 0.10 0.00 0.01 0.00 0.00 42.46 38.84 1nxx s ILE 6 CO 0.11 0.26 0.16 -0.69 0.00 0.00 0.00 174.94 174.78 1nxx s VAL 7 N 1.58 3.17 -0.11 2.92 1.01 0.82 -1.38 120.40 128.42 1nxx s VAL 7 Ca 0.10 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.05 1nxx s VAL 7 Cb -0.15 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.14 1nxx s VAL 7 CO 0.09 -0.60 0.25 -0.62 0.00 0.00 0.00 175.10 174.22 1nxx s ASP 8 N 1.67 -0.20 0.00 3.32 3.68 -0.81 -1.52 116.67 122.81 1nxx s ASP 8 Ca 0.07 0.54 0.28 0.00 2.13 0.00 0.00 52.55 55.57 1nxx s ASP 8 Cb -0.22 0.44 1.13 0.00 -1.45 0.00 0.00 42.92 42.83 1nxx s ASP 8 CO -0.04 -0.17 1.80 -0.90 0.13 0.00 0.00 175.17 175.98 1nxx n ASP 9 N 4.35 0.73 -4.31 -0.34 5.75 -1.26 -4.25 116.55 117.23 1nxx n ASP 9 Ca -0.23 -0.83 -0.38 0.00 -0.01 0.00 0.00 54.79 53.34 1nxx n ASP 9 Cb 0.53 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 1nxx n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1nxx s GLU 10 N -2.37 2.88 0.25 0.11 2.02 -1.26 -5.01 118.70 115.32 1nxx s GLU 10 Ca 0.31 -1.00 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1nxx s GLU 10 Cb 0.20 -3.42 0.35 0.00 0.10 0.00 0.00 34.13 31.36 1nxx s GLU 10 CO 0.46 -0.55 1.87 -0.22 0.02 0.00 0.00 175.26 176.84 1nxx h LYS 11 N 8.23 1.06 -0.84 1.61 3.64 -2.00 -2.38 116.57 125.90 1nxx h LYS 11 Ca -0.28 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1nxx h LYS 11 Cb 1.11 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.59 1nxx h LYS 11 CO 0.61 0.70 0.41 -1.35 -2.27 0.00 0.00 179.45 177.55 1nxx h PRO 12 N 1.09 0.55 0.24 1.90 0.11 -1.98 -1.00 132.00 132.91 1nxx h PRO 12 Ca 0.39 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 66.14 1nxx h PRO 12 Cb 0.12 -0.12 0.04 0.00 0.11 0.00 0.00 31.00 31.15 1nxx h PRO 12 CO -0.16 0.37 -1.45 0.82 -0.21 0.00 0.00 178.00 177.37 1nxx h ILE 13 N 0.57 1.28 -0.68 4.15 5.03 -1.92 -2.72 117.51 123.22 1nxx h ILE 13 Ca 0.47 -2.66 0.12 0.00 -0.12 0.00 0.00 64.86 62.66 1nxx h ILE 13 Cb 0.69 2.99 -0.08 0.00 -3.03 0.00 0.00 36.82 37.39 1nxx h ILE 13 CO -0.39 0.80 0.25 -1.28 -0.68 0.00 0.00 178.15 176.85 1nxx h SER 14 N 0.17 0.22 -0.44 1.72 0.87 -1.29 -1.50 113.55 113.29 1nxx h SER 14 Ca -0.25 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 1nxx h SER 14 Cb 2.14 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 64.16 1nxx h SER 14 CO 0.27 0.11 -0.02 0.44 -0.53 0.00 0.00 176.83 177.10 1nxx h ASP 15 N 0.41 0.84 -0.38 6.23 3.45 -1.12 0.18 116.42 126.02 1nxx h ASP 15 Ca 0.36 -0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 1nxx h ASP 15 Cb 0.50 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1nxx h ASP 15 CO -0.36 0.92 0.01 0.40 -1.57 0.00 0.00 179.24 178.64 1nxx h ILE 16 N 0.80 1.26 -0.23 0.35 2.04 -1.13 -0.83 117.51 119.77 1nxx h ILE 16 Ca 0.15 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.91 1nxx h ILE 16 Cb 0.51 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1nxx h ILE 16 CO 0.03 0.33 -0.36 0.40 0.00 0.00 0.00 178.15 178.54 1nxx h ILE 17 N 0.49 1.32 -0.40 -0.67 2.04 -0.99 -2.39 117.51 116.91 1nxx h ILE 17 Ca 0.11 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.45 1nxx h ILE 17 Cb 0.45 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1nxx h ILE 17 CO 0.02 0.49 0.15 0.50 0.00 0.00 0.00 178.15 179.31 1nxx h LYS 18 N 0.34 0.31 -0.46 2.37 3.64 -0.58 -0.80 116.57 121.39 1nxx h LYS 18 Ca 0.02 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1nxx h LYS 18 Cb 0.95 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.62 1nxx h LYS 18 CO 0.08 0.21 -0.04 0.35 -2.27 0.00 0.00 179.45 177.77 1nxx h PHE 19 N 0.32 -0.11 -0.04 1.91 3.57 -1.07 0.93 116.94 122.45 1nxx h PHE 19 Ca 0.18 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.51 1nxx h PHE 19 Cb 0.15 0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.03 1nxx h PHE 19 CO -0.14 -0.14 -0.80 -0.91 -2.23 0.00 0.00 178.31 174.09 1nxx h ASN 20 N 0.07 0.78 -0.53 0.41 -0.26 -1.08 -0.50 115.58 114.47 1nxx h ASN 20 Ca 0.23 -0.71 -0.06 0.00 -0.56 0.00 0.00 56.30 55.20 1nxx h ASN 20 Cb 0.34 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1nxx h ASN 20 CO -0.42 1.38 0.12 0.24 -1.06 0.00 0.00 177.43 177.70 1nxx h MET 21 N 0.25 0.90 -0.16 0.81 2.86 -1.10 -2.69 114.93 115.80 1nxx h MET 21 Ca -0.09 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1nxx h MET 21 Cb 1.47 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1nxx h MET 21 CO 0.16 0.82 0.04 1.15 1.06 0.00 0.00 176.91 180.15 1nxx h THR 22 N 0.86 1.19 -1.03 2.22 2.02 -0.66 -2.24 112.91 115.27 1nxx h THR 22 Ca 0.18 -0.60 0.28 0.00 0.77 0.00 0.00 66.41 67.04 1nxx h THR 22 Cb 0.34 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 1nxx h THR 22 CO 0.00 0.18 0.70 0.11 0.37 0.00 0.00 175.52 176.88 1nxx h LYS 23 N 0.07 0.21 0.00 6.66 1.57 -0.94 0.16 116.57 124.30 1nxx h LYS 23 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nxx h LYS 23 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nxx h LYS 23 CO -0.00 0.14 -0.17 0.39 -0.57 0.00 0.00 179.45 179.24 1nxx n GLU 24 N -4.43 0.05 0.00 3.15 1.02 -1.03 -4.95 120.64 114.45 1nxx n GLU 24 Ca 0.23 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1nxx n GLU 24 Cb 0.96 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1nxx n GLU 24 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nxx n GLY 25 N 1.47 1.01 3.88 0.62 0.00 0.56 -5.10 105.19 107.62 1nxx n GLY 25 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1nxx n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nxx s TYR 26 N -2.00 3.48 -0.04 1.61 1.51 -0.87 -4.62 117.35 116.42 1nxx s TYR 26 Ca 0.00 1.04 -0.21 0.00 -1.01 0.00 0.00 57.07 56.89 1nxx s TYR 26 Cb 0.00 -2.44 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 1nxx s TYR 26 CO 0.00 -0.13 0.61 -2.00 -1.11 0.00 0.00 175.55 172.92 1nxx s GLU 27 N -3.92 4.36 -0.12 -0.62 2.12 -0.54 -4.34 118.70 115.64 1nxx s GLU 27 Ca 0.51 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.60 1nxx s GLU 27 Cb -0.10 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1nxx s GLU 27 CO 0.32 0.25 -0.21 0.08 -0.54 0.00 0.00 175.26 175.16 1nxx s VAL 28 N 0.21 2.23 0.13 3.70 1.01 -1.26 -0.74 120.40 125.69 1nxx s VAL 28 Ca 0.32 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1nxx s VAL 28 Cb -0.18 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1nxx s VAL 28 CO 0.16 0.55 -0.11 0.68 0.00 0.00 0.00 175.10 176.38 1nxx s VAL 29 N 0.53 3.24 0.18 2.92 -7.23 -0.35 -4.99 120.40 114.70 1nxx s VAL 29 Ca -0.13 -1.42 0.09 0.00 -1.81 0.00 0.00 61.98 58.71 1nxx s VAL 29 Cb -0.17 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1nxx s VAL 29 CO 0.05 0.04 -0.20 0.42 -0.31 0.00 0.00 175.10 175.10 1nxx s THR 30 N -1.34 1.97 -0.06 5.32 -4.23 -1.26 -1.09 115.64 114.94 1nxx s THR 30 Ca 0.22 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1nxx s THR 30 Cb -0.10 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1nxx s THR 30 CO 0.14 -0.27 0.25 0.00 -0.54 0.00 0.00 174.62 174.20 1nxx s ALA 31 N -1.97 -0.63 -0.57 3.99 0.00 -0.48 -4.93 121.76 117.17 1nxx s ALA 31 Ca 0.17 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1nxx s ALA 31 Cb -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1nxx s ALA 31 CO 0.08 -0.17 0.73 1.19 0.00 0.00 0.00 175.76 177.59 1nxx n PHE 32 N 2.34 0.03 -4.01 0.00 3.01 -1.26 -1.92 117.46 115.65 1nxx n PHE 32 Ca -0.16 -0.08 -0.11 0.00 1.01 0.00 0.00 57.45 58.10 1nxx n PHE 32 Cb 0.57 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.00 1nxx n PHE 32 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1nxx s ASN 33 N -0.50 0.36 0.20 4.37 2.20 -1.26 -4.10 114.94 116.22 1nxx s ASN 33 Ca 0.06 -1.21 -0.11 0.00 -0.94 0.00 0.00 52.86 50.67 1nxx s ASN 33 Cb 0.04 0.66 0.14 0.00 -2.00 0.00 0.00 41.25 40.09 1nxx s ASN 33 CO 0.06 -1.29 1.85 1.23 -2.94 0.00 0.00 177.10 176.01 1nxx h GLY 34 N 2.16 1.04 0.92 0.45 0.00 -1.92 -1.06 103.07 104.66 1nxx h GLY 34 Ca -0.28 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1nxx h GLY 34 CO 0.38 0.41 0.07 -0.09 0.00 0.00 0.00 176.54 177.31 1nxx h ARG 35 N 0.98 0.20 -0.48 4.80 2.43 -1.97 -1.72 114.38 118.62 1nxx h ARG 35 Ca 0.26 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1nxx h ARG 35 Cb -0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1nxx h ARG 35 CO -0.05 0.23 0.11 0.93 -1.51 0.00 0.00 179.97 179.68 1nxx h GLU 36 N 0.11 0.72 -0.21 0.20 5.08 -1.94 -2.12 114.58 116.42 1nxx h GLU 36 Ca 0.05 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1nxx h GLU 36 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1nxx h GLU 36 CO -0.01 0.66 0.07 0.00 -1.00 0.00 0.00 179.01 178.73 1nxx h ALA 37 N 1.42 0.23 -0.47 3.43 0.00 -0.85 0.75 119.26 123.77 1nxx h ALA 37 Ca 0.16 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1nxx h ALA 37 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nxx h ALA 37 CO -0.00 -0.36 -0.21 -0.07 0.00 0.00 0.00 179.25 178.61 1nxx h LEU 38 N 0.16 1.01 -0.64 0.00 3.38 -1.10 -0.89 115.31 117.23 1nxx h LEU 38 Ca 0.09 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1nxx h LEU 38 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1nxx h LEU 38 CO -0.10 1.18 0.42 -0.33 0.09 0.00 0.00 178.44 179.70 1nxx h GLU 39 N 0.83 0.83 -0.18 1.13 5.08 -1.15 -2.24 114.58 118.88 1nxx h GLU 39 Ca 0.11 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1nxx h GLU 39 Cb 0.79 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nxx h GLU 39 CO 0.07 0.55 -0.58 1.96 -1.00 0.00 0.00 179.01 180.01 1nxx h GLN 40 N 0.86 0.59 -0.40 2.33 1.08 -0.66 -0.98 115.11 117.93 1nxx h GLN 40 Ca 0.24 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 1nxx h GLN 40 Cb -0.09 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1nxx h GLN 40 CO -0.06 1.00 0.17 0.35 -0.95 0.00 0.00 178.83 179.34 1nxx h PHE 41 N 0.44 0.59 -0.21 2.96 3.57 -0.99 0.20 116.94 123.51 1nxx h PHE 41 Ca 0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1nxx h PHE 41 Cb 1.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1nxx h PHE 41 CO 0.05 0.51 -0.06 0.93 -2.23 0.00 0.00 178.31 177.51 1nxx h GLU 42 N 0.50 0.41 0.03 1.11 5.08 -1.26 -1.69 114.58 118.77 1nxx h GLU 42 Ca 0.13 -0.16 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1nxx h GLU 42 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1nxx h GLU 42 CO -0.01 0.66 -1.07 0.00 -1.00 0.00 0.00 179.01 177.59 1nxx h ALA 43 N 0.74 0.29 0.00 3.43 0.00 -1.05 -3.36 119.26 119.31 1nxx h ALA 43 Ca 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 1nxx h ALA 43 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1nxx h ALA 43 CO 0.02 1.19 -2.03 0.39 0.00 0.00 0.00 179.25 178.82 1nxx n GLU 44 N -3.39 0.69 -3.64 0.00 -0.58 0.70 -5.03 120.64 109.40 1nxx n GLU 44 Ca -0.02 -0.14 -0.26 0.00 -0.42 0.00 0.00 57.16 56.31 1nxx n GLU 44 Cb 0.96 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 30.37 1nxx n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nxx n GLN 45 N -2.34 -1.22 -1.40 3.49 6.02 -0.64 -4.91 117.38 116.38 1nxx n GLN 45 Ca -0.11 0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 57.21 1nxx n GLN 45 Cb 0.68 -3.82 0.10 0.00 1.02 0.00 0.00 30.24 28.22 1nxx n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nxx s PRO 46 N -5.37 2.09 0.37 -1.09 0.04 -1.26 -4.93 135.00 124.85 1nxx s PRO 46 Ca 0.29 1.77 0.20 0.00 0.04 0.00 0.00 61.00 63.30 1nxx s PRO 46 Cb -0.11 -1.83 0.28 0.00 0.04 0.00 0.00 34.50 32.89 1nxx s PRO 46 CO 0.86 -1.87 1.56 -0.44 0.04 0.00 0.00 177.00 177.15 1nxx h ASP 47 N -0.34 0.00 -4.61 6.66 5.19 -1.32 -3.47 116.42 118.54 1nxx h ASP 47 Ca -0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 1nxx h ASP 47 Cb 1.30 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.60 1nxx h ASP 47 CO 0.49 0.26 -0.00 -0.51 -3.12 0.00 0.00 179.24 176.36 1nxx s ILE 48 N -3.14 0.01 -0.13 0.35 2.07 -1.18 -4.19 121.20 114.99 1nxx s ILE 48 Ca 0.05 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1nxx s ILE 48 Cb 0.07 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.82 1nxx s ILE 48 CO 0.70 -0.06 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.83 1nxx s ILE 49 N -0.67 2.27 -0.30 2.00 1.01 -0.46 -1.40 121.20 123.64 1nxx s ILE 49 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1nxx s ILE 49 Cb -0.03 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1nxx s ILE 49 CO 0.05 0.54 0.20 -0.63 0.00 0.00 0.00 174.94 175.10 1nxx s ILE 50 N 0.64 5.18 -0.38 2.92 1.01 -0.31 -0.76 121.20 129.50 1nxx s ILE 50 Ca -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1nxx s ILE 50 Cb -0.16 -3.55 0.14 0.00 0.01 0.00 0.00 42.46 38.90 1nxx s ILE 50 CO 0.02 0.15 0.23 -0.22 0.00 0.00 0.00 174.94 175.12 1nxx s LEU 51 N 1.73 1.42 0.96 2.97 2.96 -0.02 -0.12 118.68 128.57 1nxx s LEU 51 Ca 0.06 -2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 51.46 1nxx s LEU 51 Cb -0.17 -0.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 1nxx s LEU 51 CO 0.10 -0.28 0.13 -0.90 -1.32 0.00 0.00 176.35 174.08 1nxx n ASP 52 N 3.80 -2.95 -4.58 3.68 5.75 -0.57 -3.67 116.55 118.00 1nxx n ASP 52 Ca 0.13 0.29 -0.42 0.00 -0.01 0.00 0.00 54.79 54.78 1nxx n ASP 52 Cb 0.37 -1.10 -0.02 0.00 -1.03 0.00 0.00 41.12 39.34 1nxx n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nxx s LEU 53 N 0.90 3.45 0.00 -2.12 1.43 -1.03 -4.39 118.68 116.91 1nxx s LEU 53 Ca 0.53 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1nxx s LEU 53 Cb -0.20 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1nxx s LEU 53 CO 0.71 -1.52 0.00 -0.38 0.23 0.00 0.00 176.35 175.39 1nxx n ILE 58 N 6.73 0.00 -1.52 -0.59 5.41 -1.26 -2.57 119.36 125.56 1nxx n ILE 58 Ca 0.10 0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.33 1nxx n ILE 58 Cb 0.49 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.37 1nxx n ILE 58 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nxx n ASP 59 N 0.05 0.41 -0.34 4.38 2.03 -1.26 -3.28 116.55 118.54 1nxx n ASP 59 Ca 0.00 1.14 0.03 0.00 0.52 0.00 0.00 54.79 56.49 1nxx n ASP 59 Cb 0.00 -1.07 0.18 0.00 -0.72 0.00 0.00 41.12 39.51 1nxx n ASP 59 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1nxx h GLY 60 N 2.84 1.45 1.07 0.27 0.00 -1.70 -1.67 103.07 105.33 1nxx h GLY 60 Ca -0.43 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 1nxx h GLY 60 CO 0.66 0.24 0.18 1.41 0.00 0.00 0.00 176.54 179.03 1nxx h LEU 61 N 1.01 1.09 -0.83 3.11 3.38 -1.87 -2.35 115.31 118.85 1nxx h LEU 61 Ca 0.43 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1nxx h LEU 61 Cb 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nxx h LEU 61 CO -0.21 1.04 -0.31 -0.08 0.09 0.00 0.00 178.44 178.97 1nxx h GLU 62 N 1.09 0.52 0.28 1.13 4.81 -1.76 -1.12 114.58 119.53 1nxx h GLU 62 Ca 0.23 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1nxx h GLU 62 Cb 0.37 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1nxx h GLU 62 CO 0.00 0.77 -0.14 0.28 -0.73 0.00 0.00 179.01 179.19 1nxx h VAL 63 N 0.45 0.71 -0.55 0.32 2.07 -1.06 -0.59 116.25 117.60 1nxx h VAL 63 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nxx h VAL 63 Cb 0.76 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1nxx h VAL 63 CO 0.06 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.88 1nxx h ALA 64 N 0.33 0.71 -0.58 1.67 0.00 -1.34 0.06 119.26 120.11 1nxx h ALA 64 Ca -0.04 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1nxx h ALA 64 Cb 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1nxx h ALA 64 CO 0.06 0.30 0.12 -0.22 0.00 0.00 0.00 179.25 179.52 1nxx h LYS 65 N 0.74 0.25 -0.48 0.00 3.64 -1.12 -2.23 116.57 117.37 1nxx h LYS 65 Ca 0.18 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1nxx h LYS 65 Cb 0.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1nxx h LYS 65 CO -0.02 0.16 0.12 1.15 -2.27 0.00 0.00 179.45 178.60 1nxx h THR 66 N 0.26 1.24 -0.32 1.00 2.02 0.32 -2.98 112.91 114.44 1nxx h THR 66 Ca 0.30 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1nxx h THR 66 Cb 0.44 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1nxx h THR 66 CO -0.39 0.30 0.12 0.40 0.37 0.00 0.00 175.52 176.32 1nxx h ILE 67 N 0.65 0.92 0.00 3.11 2.04 -0.85 -2.60 117.51 120.79 1nxx h ILE 67 Ca 0.15 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1nxx h ILE 67 Cb 0.32 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1nxx h ILE 67 CO 0.00 0.05 0.00 0.03 0.00 0.00 0.00 178.15 178.23 1nxx h ARG 68 N 0.27 0.00 -0.92 2.37 2.47 -1.31 0.24 114.38 117.50 1nxx h ARG 68 Ca 0.14 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1nxx h ARG 68 Cb 0.10 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.37 1nxx h ARG 68 CO -0.14 0.00 0.60 0.87 0.56 0.00 0.00 179.97 181.86 1nxx h LYS 69 N 0.00 1.15 0.00 0.04 1.57 -1.31 -3.34 116.57 114.68 1nxx h LYS 69 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1nxx h LYS 69 Cb 0.24 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nxx h LYS 69 CO 0.00 0.76 -1.47 0.25 -0.57 0.00 0.00 179.45 178.42 1nxx n THR 70 N -4.49 0.00 -3.88 -0.16 -2.24 -0.42 -5.07 114.28 98.01 1nxx n THR 70 Ca 0.12 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1nxx n THR 70 Cb 0.07 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 1nxx n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nxx s SER 71 N -3.23 0.03 -0.17 3.42 0.15 0.72 -5.02 113.70 109.59 1nxx s SER 71 Ca -0.04 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.66 1nxx s SER 71 Cb 0.07 0.18 0.75 0.00 -1.71 0.00 0.00 66.02 65.32 1nxx s SER 71 CO 0.46 -0.22 1.67 -1.54 1.20 0.00 0.00 173.24 174.81 1nxx n SER 72 N 2.11 5.15 -4.58 5.45 3.41 -1.26 -3.94 113.62 119.95 1nxx n SER 72 Ca -0.19 -2.69 -0.51 0.00 -0.26 0.00 0.00 58.87 55.23 1nxx n SER 72 Cb 0.57 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1nxx n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1nxx n VAL 73 N 0.82 0.43 -1.72 -3.33 3.14 -1.26 -4.88 118.33 111.52 1nxx n VAL 73 Ca 0.26 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 61.11 1nxx n VAL 73 Cb 1.02 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 1nxx n VAL 73 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1nxx n PRO 74 N 2.13 2.47 -4.85 1.45 -0.02 -1.26 -4.91 135.00 130.01 1nxx n PRO 74 Ca 0.17 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.25 1nxx n PRO 74 Cb 0.21 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 30.91 1nxx n PRO 74 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nxx s ILE 75 N -0.11 1.57 -0.27 4.25 1.01 -1.26 -1.36 121.20 125.04 1nxx s ILE 75 Ca 0.65 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1nxx s ILE 75 Cb -0.54 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1nxx s ILE 75 CO 0.50 0.45 -0.01 -0.22 0.00 0.00 0.00 174.94 175.66 1nxx s LEU 76 N 0.55 3.52 0.13 2.97 0.20 0.06 0.03 118.68 126.15 1nxx s LEU 76 Ca -0.16 -0.94 -0.18 0.00 0.69 0.00 0.00 54.13 53.54 1nxx s LEU 76 Cb -0.17 -1.73 -0.07 0.00 -0.43 0.00 0.00 46.19 43.80 1nxx s LEU 76 CO 0.05 -0.18 0.61 -0.04 -0.29 0.00 0.00 176.35 176.51 1nxx s MET 77 N 1.35 4.18 -0.03 1.98 -1.94 -0.37 -0.84 119.30 123.63 1nxx s MET 77 Ca -0.01 0.73 0.05 0.00 -1.71 0.00 0.00 55.69 54.75 1nxx s MET 77 Cb -0.18 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 1nxx s MET 77 CO -0.02 0.54 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.83 1nxx s LEU 78 N -1.54 2.00 -0.18 -0.03 1.43 -1.24 -0.32 118.68 118.79 1nxx s LEU 78 Ca 0.35 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 1nxx s LEU 78 Cb -0.18 -0.98 0.11 0.00 0.03 0.00 0.00 46.19 45.17 1nxx s LEU 78 CO 0.20 0.20 0.92 -0.55 0.23 0.00 0.00 176.35 177.35 1nxx s SER 79 N -0.26 -0.49 0.37 2.29 0.15 -0.75 -2.48 113.70 112.53 1nxx s SER 79 Ca 0.03 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.54 1nxx s SER 79 Cb -0.09 0.62 0.70 0.00 -1.71 0.00 0.00 66.02 65.55 1nxx s SER 79 CO 0.00 -0.33 1.76 0.00 1.20 0.00 0.00 173.24 175.88 1nxx h ALA 80 N 3.34 1.10 -2.36 5.45 0.00 -1.88 -0.56 119.26 124.34 1nxx h ALA 80 Ca -0.24 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 1nxx h ALA 80 Cb 1.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1nxx h ALA 80 CO 0.24 0.49 1.10 0.15 0.00 0.00 0.00 179.25 181.24 1nxx s LYS 81 N -3.79 4.17 -0.04 0.00 1.02 -1.26 -4.67 119.74 115.17 1nxx s LYS 81 Ca -0.01 2.37 0.06 0.00 0.02 0.00 0.00 55.97 58.41 1nxx s LYS 81 Cb 0.12 -3.88 0.09 0.00 -0.52 0.00 0.00 37.83 33.64 1nxx s LYS 81 CO 0.70 -0.84 0.97 -0.40 -0.92 0.00 0.00 175.35 174.86 1nxx n ASP 82 N 6.65 1.54 -4.88 2.83 5.75 -1.26 -4.82 116.55 122.36 1nxx n ASP 82 Ca 0.17 -2.19 -0.30 0.00 -0.01 0.00 0.00 54.79 52.47 1nxx n ASP 82 Cb 0.41 -0.16 0.03 0.00 -1.03 0.00 0.00 41.12 40.37 1nxx n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nxx s SER 83 N -1.44 5.76 0.19 -1.12 1.04 -1.26 -4.89 113.70 111.99 1nxx s SER 83 Ca 0.10 1.24 -0.11 0.00 0.48 0.00 0.00 55.95 57.66 1nxx s SER 83 Cb 0.09 -2.14 0.17 0.00 0.10 0.00 0.00 66.02 64.24 1nxx s SER 83 CO 0.01 -1.15 1.80 -0.08 0.98 0.00 0.00 173.24 174.80 1nxx h GLU 84 N -0.52 0.60 -0.42 4.02 4.81 -2.00 -2.16 114.58 118.92 1nxx h GLU 84 Ca -0.45 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1nxx h GLU 84 Cb 1.23 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1nxx h GLU 84 CO 0.63 0.40 -0.03 0.35 -0.73 0.00 0.00 179.01 179.63 1nxx h PHE 85 N 0.62 -0.08 -0.11 0.92 3.57 -1.99 -0.79 116.94 119.08 1nxx h PHE 85 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1nxx h PHE 85 Cb 0.12 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1nxx h PHE 85 CO -0.08 -0.11 0.07 -0.44 -2.23 0.00 0.00 178.31 175.51 1nxx h ASP 86 N 0.08 0.13 -0.35 0.41 3.45 -1.77 -1.79 116.42 116.58 1nxx h ASP 86 Ca 0.21 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 1nxx h ASP 86 Cb 0.31 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1nxx h ASP 86 CO -0.37 0.11 0.16 0.11 -1.57 0.00 0.00 179.24 177.68 1nxx h LYS 87 N 0.13 0.51 -0.39 3.56 1.57 -1.25 -2.03 116.57 118.68 1nxx h LYS 87 Ca 0.04 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1nxx h LYS 87 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1nxx h LYS 87 CO -0.01 0.47 0.06 0.28 -0.57 0.00 0.00 179.45 179.68 1nxx h VAL 88 N 0.42 1.24 -0.26 0.50 2.07 -1.07 -1.78 116.25 117.37 1nxx h VAL 88 Ca 0.12 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1nxx h VAL 88 Cb 0.14 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1nxx h VAL 88 CO -0.01 0.30 -0.24 -0.29 0.02 0.00 0.00 177.57 177.34 1nxx h ILE 89 N 0.49 1.31 -0.46 4.57 2.10 -1.31 0.01 117.51 124.22 1nxx h ILE 89 Ca 0.12 -1.41 0.09 0.00 1.08 0.00 0.00 64.86 64.74 1nxx h ILE 89 Cb 0.37 1.64 -0.10 0.00 -1.09 0.00 0.00 36.82 37.64 1nxx h ILE 89 CO 0.01 0.44 -0.23 1.23 -1.08 0.00 0.00 178.15 178.52 1nxx h GLY 90 N 0.34 0.06 1.03 8.18 0.00 -1.35 -1.08 103.07 110.24 1nxx h GLY 90 Ca 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1nxx h GLY 90 CO 0.06 -0.21 0.38 1.41 0.00 0.00 0.00 176.54 178.18 1nxx h LEU 91 N -0.14 1.04 -0.83 3.11 3.38 -1.11 -2.41 115.31 118.34 1nxx h LEU 91 Ca 0.21 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1nxx h LEU 91 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nxx h LEU 91 CO -0.54 0.88 -0.41 -0.33 0.09 0.00 0.00 178.44 178.12 1nxx h GLU 92 N 1.12 0.36 0.00 1.13 5.08 -0.69 -2.50 114.58 119.08 1nxx h GLU 92 Ca 0.27 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nxx h GLU 92 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nxx h GLU 92 CO -0.03 0.71 0.00 1.28 -1.00 0.00 0.00 179.01 179.97 1nxx n LEU 93 N -4.02 0.00 0.00 1.33 4.77 -0.43 -4.88 117.00 113.76 1nxx n LEU 93 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1nxx n LEU 93 Cb 0.50 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1nxx n LEU 93 CO 0.43 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1nxx n GLY 94 N 1.03 0.73 3.61 -0.72 0.00 -0.94 -4.06 105.19 104.85 1nxx n GLY 94 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1nxx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxx n ALA 95 N 0.00 0.20 0.08 4.61 0.00 -0.94 -4.73 120.51 119.74 1nxx n ALA 95 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1nxx n ALA 95 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1nxx n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nxx n ASP 96 N 0.52 0.78 -3.54 0.00 9.92 0.10 -4.61 116.55 119.72 1nxx n ASP 96 Ca 0.09 0.31 -0.11 0.00 -0.53 0.00 0.00 54.79 54.55 1nxx n ASP 96 Cb 0.39 0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 41.36 1nxx n ASP 96 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1nxx s ASP 97 N -5.36 -0.39 -0.09 -2.24 -1.08 -1.15 -5.02 116.67 101.34 1nxx s ASP 97 Ca -0.01 -0.18 -0.04 0.00 -0.52 0.00 0.00 52.55 51.79 1nxx s ASP 97 Cb 0.10 0.54 0.05 0.00 -1.46 0.00 0.00 42.92 42.14 1nxx s ASP 97 CO 0.80 -0.92 0.19 -0.47 0.52 0.00 0.00 175.17 175.30 1nxx s TYR 98 N -3.78 -0.25 -0.03 -5.34 6.14 -1.26 -1.23 117.35 111.60 1nxx s TYR 98 Ca 0.02 0.69 0.05 0.00 0.64 0.00 0.00 57.07 58.47 1nxx s TYR 98 Cb 0.00 -0.12 -0.01 0.00 0.42 0.00 0.00 41.96 42.25 1nxx s TYR 98 CO -0.12 -0.26 -0.18 0.08 0.64 0.00 0.00 175.55 175.72 1nxx s VAL 99 N 1.89 1.41 0.15 3.14 1.01 0.57 -4.98 120.40 123.59 1nxx s VAL 99 Ca -0.02 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1nxx s VAL 99 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1nxx s VAL 99 CO -0.07 0.40 0.35 0.42 0.00 0.00 0.00 175.10 176.21 1nxx s THR 100 N -0.24 5.22 -0.11 3.92 -4.23 -1.26 -1.81 115.64 117.14 1nxx s THR 100 Ca 0.03 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.24 1nxx s THR 100 Cb -0.09 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 1nxx s THR 100 CO 0.00 -0.02 0.28 -0.54 -0.54 0.00 0.00 174.62 173.81 1nxx s LYS 101 N -2.87 3.96 0.43 3.99 1.02 -0.22 -3.42 119.74 122.64 1nxx s LYS 101 Ca 0.39 0.12 -0.21 0.00 0.02 0.00 0.00 55.97 56.29 1nxx s LYS 101 Cb -0.12 -3.31 -0.11 0.00 -0.52 0.00 0.00 37.83 33.77 1nxx s LYS 101 CO 0.27 0.50 0.95 -2.14 -0.92 0.00 0.00 175.35 174.00 1nxx s PRO 102 N -0.33 4.23 0.34 -1.68 0.02 -1.26 -4.45 135.00 131.87 1nxx s PRO 102 Ca 0.18 1.12 0.09 0.00 0.02 0.00 0.00 61.00 62.42 1nxx s PRO 102 Cb -0.14 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 1nxx s PRO 102 CO 0.06 -0.03 -0.10 -0.59 -0.33 0.00 0.00 177.00 176.01 1nxx s PHE 103 N -2.18 2.38 -0.08 6.54 -0.12 -1.22 -5.12 117.98 118.18 1nxx s PHE 103 Ca 0.62 -0.50 -0.19 0.00 -0.05 0.00 0.00 56.93 56.81 1nxx s PHE 103 Cb -0.09 -1.35 -0.05 0.00 -0.63 0.00 0.00 43.02 40.90 1nxx s PHE 103 CO 0.13 0.58 0.51 0.45 -0.05 0.00 0.00 175.22 176.84 1nxx s SER 104 N -3.60 6.77 0.20 1.98 0.15 -1.26 -4.98 113.70 112.96 1nxx s SER 104 Ca 0.32 0.92 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 1nxx s SER 104 Cb 0.02 -2.31 0.17 0.00 -1.71 0.00 0.00 66.02 62.19 1nxx s SER 104 CO 0.16 0.04 1.84 0.78 1.20 0.00 0.00 173.24 177.27 1nxx h ASN 105 N 6.32 0.68 -0.38 5.45 -0.26 -2.00 -1.76 115.58 123.63 1nxx h ASN 105 Ca -0.43 -0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.24 1nxx h ASN 105 Cb 1.19 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.28 1nxx h ASN 105 CO 0.73 0.48 -0.00 0.03 -1.06 0.00 0.00 177.43 177.61 1nxx h ARG 106 N 0.82 0.77 -0.31 0.81 3.08 -1.99 -2.13 114.38 115.43 1nxx h ARG 106 Ca 0.26 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1nxx h ARG 106 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1nxx h ARG 106 CO -0.10 0.78 -0.08 1.49 -1.07 0.00 0.00 179.97 180.98 1nxx h GLU 107 N 0.72 0.60 -0.56 0.04 4.81 -1.92 -0.80 114.58 117.47 1nxx h GLU 107 Ca 0.14 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1nxx h GLU 107 Cb 0.44 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1nxx h GLU 107 CO 0.02 0.80 0.37 1.25 -0.73 0.00 0.00 179.01 180.71 1nxx h LEU 108 N 0.37 0.65 -0.69 1.64 6.46 -1.12 -0.70 115.31 121.93 1nxx h LEU 108 Ca 0.08 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1nxx h LEU 108 Cb 0.58 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1nxx h LEU 108 CO 0.03 0.48 0.44 1.56 -0.62 0.00 0.00 178.44 180.34 1nxx h GLN 109 N 0.76 0.86 -0.40 1.25 4.20 -1.32 -0.41 115.11 120.05 1nxx h GLN 109 Ca 0.21 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1nxx h GLN 109 Cb -0.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1nxx h GLN 109 CO -0.04 0.57 -0.06 0.00 -0.67 0.00 0.00 178.83 178.62 1nxx h ALA 110 N 1.28 1.15 -0.09 3.87 0.00 -0.69 -2.39 119.26 122.39 1nxx h ALA 110 Ca 0.27 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1nxx h ALA 110 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nxx h ALA 110 CO -0.08 0.54 -0.81 0.00 0.00 0.00 0.00 179.25 178.90 1nxx h ARG 111 N 0.63 0.58 -0.50 0.00 3.08 -0.65 -1.05 114.38 116.47 1nxx h ARG 111 Ca 0.12 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1nxx h ARG 111 Cb 0.48 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1nxx h ARG 111 CO 0.03 1.13 0.26 0.28 -1.07 0.00 0.00 179.97 180.60 1nxx h VAL 112 N 0.38 1.18 -0.40 2.04 2.07 -1.06 -1.67 116.25 118.80 1nxx h VAL 112 Ca -0.06 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nxx h VAL 112 Cb 1.43 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1nxx h VAL 112 CO 0.15 0.20 0.17 0.50 0.02 0.00 0.00 177.57 178.60 1nxx h LYS 113 N 0.66 0.59 -0.96 1.57 3.64 -1.30 -1.12 116.57 119.66 1nxx h LYS 113 Ca 0.17 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1nxx h LYS 113 Cb 0.07 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1nxx h LYS 113 CO -0.03 0.55 0.63 0.00 -2.27 0.00 0.00 179.45 178.34 1nxx h ALA 114 N 1.01 1.21 -0.43 5.00 0.00 -1.06 0.72 119.26 125.71 1nxx h ALA 114 Ca 0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1nxx h ALA 114 Cb 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nxx h ALA 114 CO -0.01 0.61 -0.26 -0.07 0.00 0.00 0.00 179.25 179.52 1nxx h LEU 115 N 1.30 0.94 -0.37 0.00 3.38 -0.98 -2.78 115.31 116.80 1nxx h LEU 115 Ca 0.35 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1nxx h LEU 115 Cb -0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 1nxx h LEU 115 CO -0.08 1.14 -0.30 -0.07 0.09 0.00 0.00 178.44 179.22 1nxx h LEU 116 N 0.78 0.91 -1.52 1.67 3.38 -0.64 -2.90 115.31 116.98 1nxx h LEU 116 Ca 0.09 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.72 1nxx h LEU 116 Cb 0.82 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1nxx h LEU 116 CO 0.07 1.17 0.46 0.03 0.09 0.00 0.00 178.44 180.25 1nxx h ARG 117 N 0.67 0.52 0.00 1.13 3.08 -0.80 -2.82 114.38 116.16 1nxx h ARG 117 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nxx h ARG 117 Cb 0.88 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1nxx h ARG 117 CO 0.08 0.34 -0.61 -2.13 -1.07 0.00 0.00 179.97 176.58 1nxx n ARG 118 N -4.48 0.02 0.00 0.04 3.00 -1.06 -5.10 116.66 109.07 1nxx n ARG 118 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1nxx n ARG 118 Cb 0.37 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.32 1nxx n ARG 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50