#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx n SER 17 N 0.00 -4.11 -2.72 3.54 2.88 -1.26 -4.97 113.62 106.98 1pnx n SER 17 Ca 0.00 -0.35 -0.28 0.00 -1.33 0.00 0.00 58.87 56.91 1pnx n SER 17 Cb 0.00 -3.35 -0.01 0.00 -0.75 0.00 0.00 64.21 60.10 1pnx n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pnx n ARG 18 N -3.23 3.39 -0.07 -1.46 5.12 -1.26 -4.76 116.66 114.39 1pnx n ARG 18 Ca -0.04 -4.62 -0.22 0.00 -1.93 0.00 0.00 57.85 51.04 1pnx n ARG 18 Cb 0.55 -2.25 -0.12 0.00 -1.16 0.00 0.00 32.46 29.48 1pnx n ARG 18 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1pnx n LYS 19 N -0.38 0.64 0.00 5.56 5.02 -1.26 -5.04 118.16 122.70 1pnx n LYS 19 Ca 0.37 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1pnx n LYS 19 Cb 0.52 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1pnx n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnx n ALA 20 N -3.35 0.00 -2.46 7.82 0.00 -1.26 -5.13 120.51 116.14 1pnx n ALA 20 Ca -0.35 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1pnx n ALA 20 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.27 1pnx n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pnx s LYS 21 N -0.24 4.33 0.50 0.00 3.01 -1.26 -4.90 119.74 121.18 1pnx s LYS 21 Ca 0.00 1.67 0.27 0.00 -1.01 0.00 0.00 55.97 56.90 1pnx s LYS 21 Cb 0.00 -3.60 1.37 0.00 -1.01 0.00 0.00 37.83 34.59 1pnx s LYS 21 CO 0.00 -0.50 1.88 0.28 0.51 0.00 0.00 175.35 177.52 1pnx h VAL 22 N 5.11 0.59 0.46 3.17 2.07 -1.50 -1.75 116.25 124.39 1pnx h VAL 22 Ca -0.32 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1pnx h VAL 22 Cb 1.15 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1pnx h VAL 22 CO 0.90 0.02 -0.22 0.50 0.02 0.00 0.00 177.57 178.79 1pnx h LYS 23 N 0.12 -0.59 -0.44 1.57 3.64 -1.79 -3.23 116.57 115.85 1pnx h LYS 23 Ca 0.44 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.91 1pnx h LYS 23 Cb 1.55 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.46 1pnx h LYS 23 CO -0.06 -0.30 0.19 0.00 -2.27 0.00 0.00 179.45 177.01 1pnx h ALA 24 N -0.45 0.54 0.00 5.00 0.00 -1.67 -2.98 119.26 119.70 1pnx h ALA 24 Ca -0.06 0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.37 1pnx h ALA 24 Cb 0.57 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pnx h ALA 24 CO 0.10 -0.18 2.96 2.41 0.00 0.00 0.00 179.25 184.54 1pnx n THR 25 N -4.96 2.96 0.00 0.00 -1.04 -0.75 -4.75 114.28 105.74 1pnx n THR 25 Ca 0.03 -1.88 0.00 0.00 -2.04 0.00 0.00 64.05 60.16 1pnx n THR 25 Cb 0.14 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 1pnx n THR 25 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1pnx n LEU 26 N 4.52 0.00 0.00 -4.42 7.94 -1.13 -4.90 117.00 119.01 1pnx n LEU 26 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1pnx n LEU 26 Cb 0.20 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1pnx n LEU 26 CO 0.80 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.69 1pnx n GLY 27 N -0.26 1.48 3.47 -3.96 0.00 -1.26 -5.03 105.19 99.62 1pnx n GLY 27 Ca 0.00 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1pnx n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pnx s GLU 28 N 1.66 3.14 0.25 1.61 8.01 -1.26 -5.02 118.70 127.09 1pnx s GLU 28 Ca 0.00 -0.74 0.09 0.00 0.01 0.00 0.00 54.97 54.33 1pnx s GLU 28 Cb 0.00 -4.21 -0.04 0.00 -4.31 0.00 0.00 34.13 25.57 1pnx s GLU 28 CO 0.00 -1.81 0.03 -0.59 0.01 0.00 0.00 175.26 172.90 1pnx s PHE 29 N 4.16 2.78 -0.82 1.61 -0.12 -1.26 -5.07 117.98 119.26 1pnx s PHE 29 Ca 0.24 -0.20 -0.20 0.00 -0.05 0.00 0.00 56.93 56.73 1pnx s PHE 29 Cb -0.16 -1.25 0.12 0.00 -0.63 0.00 0.00 43.02 41.10 1pnx s PHE 29 CO 0.11 0.59 1.03 0.34 -0.05 0.00 0.00 175.22 177.24 1pnx s ASP 30 N -3.62 6.47 0.42 1.98 2.15 -1.26 -4.88 116.67 117.92 1pnx s ASP 30 Ca 0.31 -1.73 0.12 0.00 0.43 0.00 0.00 52.55 51.68 1pnx s ASP 30 Cb -0.07 -2.39 0.67 0.00 -0.30 0.00 0.00 42.92 40.84 1pnx s ASP 30 CO 0.21 -1.15 1.28 -0.07 -0.17 0.00 0.00 175.17 175.26 1pnx h LEU 31 N 10.51 0.00 0.00 -1.34 3.38 -1.97 0.21 115.31 126.09 1pnx h LEU 31 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pnx h LEU 31 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pnx h LEU 31 CO 1.11 0.00 -0.71 -0.09 0.09 0.00 0.00 178.44 178.85 1pnx h ARG 32 N 0.00 0.00 -6.35 1.13 2.43 -1.89 -3.41 114.38 106.29 1pnx h ARG 32 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 1pnx h ARG 32 Cb 0.91 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1pnx h ARG 32 CO 0.00 0.00 1.20 0.34 -1.51 0.00 0.00 179.97 180.00 1pnx s ASP 33 N -5.54 6.08 -0.09 -3.80 2.15 0.74 -4.90 116.67 111.31 1pnx s ASP 33 Ca 0.02 1.21 0.08 0.00 0.43 0.00 0.00 52.55 54.29 1pnx s ASP 33 Cb 0.08 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 40.56 1pnx s ASP 33 CO 0.75 -1.57 1.14 0.00 -0.17 0.00 0.00 175.17 175.32 1pnx n TYR 34 N 9.64 0.92 -0.08 -5.34 0.18 -1.26 -3.95 117.16 117.26 1pnx n TYR 34 Ca 0.21 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.65 1pnx n TYR 34 Cb 0.47 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 1pnx n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1pnx n ARG 35 N 0.36 3.22 -1.24 -3.48 1.74 -1.26 -4.23 116.66 111.77 1pnx n ARG 35 Ca 0.13 -0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1pnx n ARG 35 Cb 0.63 -0.56 -0.02 0.00 -1.02 0.00 0.00 32.46 31.49 1pnx n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pnx n ASN 36 N -0.50 6.31 -0.38 0.55 4.05 -1.25 -4.63 115.26 119.41 1pnx n ASN 36 Ca 0.00 -2.57 0.32 0.00 0.45 0.00 0.00 54.58 52.78 1pnx n ASN 36 Cb 0.02 -1.42 0.63 0.00 1.23 0.00 0.00 39.78 40.23 1pnx n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1pnx h VAL 37 N 3.44 0.35 0.09 3.44 2.07 -1.92 0.16 116.25 123.88 1pnx h VAL 37 Ca 0.68 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 68.16 1pnx h VAL 37 Cb 0.36 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1pnx h VAL 37 CO 1.74 0.03 -0.34 -0.33 0.02 0.00 0.00 177.57 178.69 1pnx h GLU 38 N 0.19 -0.53 0.03 1.57 4.39 -2.00 -2.29 114.58 115.94 1pnx h GLU 38 Ca 0.67 0.04 -0.13 0.00 0.34 0.00 0.00 59.36 60.28 1pnx h GLU 38 Cb 2.13 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.89 1pnx h GLU 38 CO -0.25 -0.36 -0.67 -0.24 -1.16 0.00 0.00 179.01 176.33 1pnx h VAL 39 N -0.55 1.40 -0.61 3.13 3.04 -1.20 -3.38 116.25 118.08 1pnx h VAL 39 Ca 0.04 -2.33 0.12 0.00 -1.01 0.00 0.00 66.70 63.51 1pnx h VAL 39 Cb 0.60 2.94 -0.12 0.00 -2.01 0.00 0.00 31.29 32.70 1pnx h VAL 39 CO -0.22 0.55 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.61 1pnx h LEU 40 N -0.82 -0.76 -1.11 3.16 3.38 -0.95 0.27 115.31 118.48 1pnx h LEU 40 Ca -0.16 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1pnx h LEU 40 Cb 1.28 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1pnx h LEU 40 CO -0.03 -0.24 0.73 0.50 0.09 0.00 0.00 178.44 179.48 1pnx h LYS 41 N -0.06 0.00 -0.04 1.13 3.64 -1.58 0.16 116.57 119.81 1pnx h LYS 41 Ca 0.28 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1pnx h LYS 41 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1pnx h LYS 41 CO -0.65 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.16 1pnx h ARG 42 N 0.00 0.08 -0.57 1.90 2.47 -0.65 -3.07 114.38 114.55 1pnx h ARG 42 Ca 0.10 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1pnx h ARG 42 Cb 1.56 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 1pnx h ARG 42 CO -0.00 0.44 0.00 1.19 0.56 0.00 0.00 179.97 182.16 1pnx n PHE 43 N -4.09 0.79 -4.14 3.04 3.01 0.54 -4.90 117.46 111.72 1pnx n PHE 43 Ca -0.02 -0.32 -0.35 0.00 1.01 0.00 0.00 57.45 57.78 1pnx n PHE 43 Cb 0.42 -0.14 -0.08 0.00 -0.01 0.00 0.00 39.48 39.67 1pnx n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pnx s LEU 44 N -1.21 3.91 0.00 4.37 1.43 -1.16 -1.32 118.68 124.70 1pnx s LEU 44 Ca 0.28 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1pnx s LEU 44 Cb 0.18 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.43 1pnx s LEU 44 CO 0.14 0.34 0.32 -1.54 0.23 0.00 0.00 176.35 175.84 1pnx n SER 45 N 1.68 -2.26 -0.19 2.29 3.41 0.28 -4.72 113.62 114.11 1pnx n SER 45 Ca -0.16 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1pnx n SER 45 Cb 0.54 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1pnx n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pnx n GLU 46 N -3.06 0.64 -4.20 4.33 4.71 -1.26 -4.54 120.64 117.26 1pnx n GLU 46 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.07 1pnx n GLU 46 Cb 0.20 -1.12 -0.09 0.00 -1.01 0.00 0.00 31.44 29.42 1pnx n GLU 46 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1pnx s THR 47 N -1.62 0.00 -1.68 2.62 2.01 -1.26 -4.75 115.64 110.95 1pnx s THR 47 Ca 0.00 -1.95 0.05 0.00 0.31 0.00 0.00 61.69 60.09 1pnx s THR 47 Cb 0.00 -2.48 0.10 0.00 0.01 0.00 0.00 72.50 70.13 1pnx s THR 47 CO 0.00 0.00 0.88 0.61 -0.69 0.00 0.00 174.62 175.42 1pnx n GLY 48 N -0.34 -0.31 3.77 4.40 0.00 -1.26 -4.73 105.19 106.73 1pnx n GLY 48 Ca 0.03 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1pnx n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx s LYS 49 N -2.32 4.05 -0.02 1.61 1.02 -1.26 -4.71 119.74 118.11 1pnx s LYS 49 Ca 0.05 2.40 -0.29 0.00 0.02 0.00 0.00 55.97 58.16 1pnx s LYS 49 Cb 0.03 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1pnx s LYS 49 CO 0.06 -0.52 0.94 0.42 -0.92 0.00 0.00 175.35 175.33 1pnx s ILE 50 N -1.16 4.89 0.55 2.17 1.01 -1.26 1.00 121.20 128.40 1pnx s ILE 50 Ca 0.54 1.95 -0.19 0.00 0.00 0.00 0.00 60.65 62.96 1pnx s ILE 50 Cb -0.43 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 1pnx s ILE 50 CO 0.57 0.16 1.10 -0.76 0.00 0.00 0.00 174.94 176.01 1pnx s LEU 51 N 1.10 3.69 0.77 2.97 1.43 -0.43 -4.83 118.68 123.38 1pnx s LEU 51 Ca 0.49 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1pnx s LEU 51 Cb -0.20 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.51 1pnx s LEU 51 CO 0.25 -1.20 1.08 -2.84 0.23 0.00 0.00 176.35 173.88 1pnx s PRO 52 N -3.46 2.26 0.53 1.29 0.02 -1.26 -4.69 135.00 129.69 1pnx s PRO 52 Ca 0.70 0.90 0.19 0.00 0.02 0.00 0.00 61.00 62.81 1pnx s PRO 52 Cb -0.21 -1.92 1.38 0.00 0.02 0.00 0.00 34.50 33.77 1pnx s PRO 52 CO 0.29 -1.56 2.17 0.00 -0.33 0.00 0.00 177.00 177.56 1pnx h ARG 53 N -1.06 0.00 -1.00 5.54 3.08 -1.95 0.11 114.38 119.10 1pnx h ARG 53 Ca -0.45 0.00 0.23 0.00 0.07 0.00 0.00 59.98 59.83 1pnx h ARG 53 Cb 1.24 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.19 1pnx h ARG 53 CO 0.56 0.01 0.63 0.00 -1.07 0.00 0.00 179.97 180.09 1pnx h ARG 54 N 0.00 0.53 0.00 0.04 3.08 -1.91 0.77 114.38 116.89 1pnx h ARG 54 Ca -0.00 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1pnx h ARG 54 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1pnx h ARG 54 CO 0.00 0.35 -1.87 0.54 -1.07 0.00 0.00 179.97 177.92 1pnx n ARG 55 N -4.70 1.00 0.03 0.04 5.12 -0.36 -4.40 116.66 113.40 1pnx n ARG 55 Ca 0.24 -0.08 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 1pnx n ARG 55 Cb 0.74 -1.38 0.44 0.00 -1.16 0.00 0.00 32.46 31.10 1pnx n ARG 55 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1pnx n THR 56 N -2.29 0.19 -0.83 0.55 -2.24 0.24 -1.76 114.28 108.14 1pnx n THR 56 Ca -0.13 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1pnx n THR 56 Cb 0.69 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1pnx n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnx n GLY 57 N 1.43 0.00 3.94 3.38 0.00 0.23 -2.87 105.19 111.30 1pnx n GLY 57 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1pnx n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnx s LEU 58 N 0.00 2.77 0.43 0.99 1.43 -1.26 -4.82 118.68 118.22 1pnx s LEU 58 Ca 0.00 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1pnx s LEU 58 Cb 0.00 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1pnx s LEU 58 CO 0.00 -2.33 0.43 -0.94 0.23 0.00 0.00 176.35 173.75 1pnx s SER 59 N -4.78 5.16 0.20 2.29 1.04 -1.26 -4.82 113.70 111.52 1pnx s SER 59 Ca 0.70 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 1pnx s SER 59 Cb -0.06 -0.52 0.21 0.00 0.10 0.00 0.00 66.02 65.75 1pnx s SER 59 CO 0.50 -0.72 1.65 1.23 0.98 0.00 0.00 173.24 176.88 1pnx h GLY 60 N 0.91 0.46 0.55 7.32 0.00 -1.98 0.49 103.07 110.81 1pnx h GLY 60 Ca -0.40 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1pnx h GLY 60 CO 0.54 -0.20 -0.04 1.70 0.00 0.00 0.00 176.54 178.54 1pnx h LYS 61 N 0.03 -0.10 0.31 4.80 3.64 -1.99 -1.93 116.57 121.33 1pnx h LYS 61 Ca 0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1pnx h LYS 61 Cb 0.43 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1pnx h LYS 61 CO -0.55 0.32 -0.42 0.93 -2.27 0.00 0.00 179.45 177.47 1pnx h GLU 62 N -0.56 -0.75 -0.67 1.90 5.08 -1.85 -1.89 114.58 115.84 1pnx h GLU 62 Ca -0.01 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 1pnx h GLU 62 Cb 0.47 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1pnx h GLU 62 CO 0.02 -0.50 0.53 0.37 -1.00 0.00 0.00 179.01 178.43 1pnx h GLN 63 N -0.78 0.00 0.00 2.33 5.75 -0.08 0.19 115.11 122.51 1pnx h GLN 63 Ca -0.02 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 1pnx h GLN 63 Cb 0.73 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1pnx h GLN 63 CO -0.13 0.00 -0.65 -0.09 -2.65 0.00 0.00 178.83 175.31 1pnx h ARG 64 N 0.00 0.00 0.05 1.69 2.43 -0.55 -3.08 114.38 114.92 1pnx h ARG 64 Ca 0.32 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.23 1pnx h ARG 64 Cb 1.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1pnx h ARG 64 CO -0.00 0.65 -1.28 0.82 -1.51 0.00 0.00 179.97 178.65 1pnx h ILE 65 N 0.00 1.42 0.34 1.20 2.04 -0.26 -3.33 117.51 118.92 1pnx h ILE 65 Ca -0.01 -3.11 -0.01 0.00 1.00 0.00 0.00 64.86 62.74 1pnx h ILE 65 Cb 1.36 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 1pnx h ILE 65 CO 0.08 0.85 -0.23 0.25 0.00 0.00 0.00 178.15 179.10 1pnx h LEU 66 N 0.03 -0.59 -0.81 1.44 5.85 -1.25 -2.70 115.31 117.28 1pnx h LEU 66 Ca -0.13 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.78 1pnx h LEU 66 Cb 1.90 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 42.97 1pnx h LEU 66 CO 0.14 -0.36 -0.29 0.00 -0.34 0.00 0.00 178.44 177.59 1pnx h ALA 67 N 0.05 0.28 -0.92 1.25 0.00 -1.64 0.53 119.26 118.81 1pnx h ALA 67 Ca -0.03 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1pnx h ALA 67 Cb 0.48 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1pnx h ALA 67 CO 0.02 -0.54 0.61 0.87 0.00 0.00 0.00 179.25 180.21 1pnx h LYS 68 N -0.05 1.20 0.08 0.00 1.57 -1.65 0.93 116.57 118.65 1pnx h LYS 68 Ca 0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1pnx h LYS 68 Cb 0.59 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1pnx h LYS 68 CO -0.84 0.79 -0.04 1.15 -0.57 0.00 0.00 179.45 179.94 1pnx h THR 69 N 1.24 1.09 0.00 -0.16 2.02 -0.23 0.84 112.91 117.71 1pnx h THR 69 Ca 0.34 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1pnx h THR 69 Cb -0.13 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1pnx h THR 69 CO -0.08 0.16 -0.05 0.40 0.37 0.00 0.00 175.52 176.33 1pnx h ILE 70 N -0.41 0.97 0.07 3.11 2.04 0.14 -0.06 117.51 123.38 1pnx h ILE 70 Ca -0.01 -0.16 -0.20 0.00 1.00 0.00 0.00 64.86 65.49 1pnx h ILE 70 Cb 0.35 1.09 0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1pnx h ILE 70 CO 0.02 0.04 -0.85 0.11 0.00 0.00 0.00 178.15 177.48 1pnx h LYS 71 N 0.00 0.44 -0.56 2.37 1.57 -0.61 -2.70 116.57 117.08 1pnx h LYS 71 Ca -0.00 -0.58 0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1pnx h LYS 71 Cb 0.08 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1pnx h LYS 71 CO 0.01 1.22 0.31 0.00 -0.57 0.00 0.00 179.45 180.42 1pnx h ARG 72 N -0.07 0.57 0.00 3.15 3.08 -0.27 -0.78 114.38 120.07 1pnx h ARG 72 Ca -0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1pnx h ARG 72 Cb 1.58 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 1pnx h ARG 72 CO 0.16 0.38 -0.10 0.00 -1.07 0.00 0.00 179.97 179.34 1pnx h ALA 73 N 1.28 1.51 -0.10 0.04 0.00 -1.06 -2.52 119.26 118.42 1pnx h ALA 73 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pnx h ALA 73 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pnx h ALA 73 CO -0.15 0.12 -0.17 0.00 0.00 0.00 0.00 179.25 179.05 1pnx h ARG 74 N 0.00 0.29 -0.03 0.00 3.08 -0.81 -1.63 114.38 115.29 1pnx h ARG 74 Ca -0.00 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1pnx h ARG 74 Cb 0.22 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1pnx h ARG 74 CO 0.01 0.77 -0.13 0.82 -1.07 0.00 0.00 179.97 180.37 1pnx h ILE 75 N -0.16 0.68 0.00 2.04 2.04 -1.03 -0.96 117.51 120.11 1pnx h ILE 75 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1pnx h ILE 75 Cb 0.75 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1pnx h ILE 75 CO 0.04 0.00 0.11 0.18 0.00 0.00 0.00 178.15 178.48 1pnx n LEU 76 N -5.26 0.45 0.00 1.44 4.77 -1.02 -4.80 117.00 112.58 1pnx n LEU 76 Ca -0.05 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1pnx n LEU 76 Cb 0.18 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1pnx n LEU 76 CO 0.26 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1pnx n GLY 77 N -1.30 0.72 0.20 -0.72 0.00 -0.37 -4.94 105.19 98.78 1pnx n GLY 77 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1pnx n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pnx h LEU 78 N 0.00 0.87 -9.14 0.99 3.38 -1.54 -3.45 115.31 106.42 1pnx h LEU 78 Ca 0.00 -0.64 -0.67 0.00 0.09 0.00 0.00 57.88 56.66 1pnx h LEU 78 Cb 0.00 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 40.31 1pnx h LEU 78 CO 0.00 1.43 -0.76 -0.76 0.09 0.00 0.00 178.44 178.45 1pnx s LEU 79 N -8.20 2.91 0.81 1.67 1.43 -0.72 -4.99 118.68 111.59 1pnx s LEU 79 Ca -0.09 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1pnx s LEU 79 Cb 0.08 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1pnx s LEU 79 CO 0.91 0.22 1.10 -2.16 0.23 0.00 0.00 176.35 176.65 1pnx s PRO 80 N -1.81 1.97 -0.22 1.29 0.04 -1.26 -4.11 135.00 130.90 1pnx s PRO 80 Ca 0.18 0.60 0.10 0.00 0.04 0.00 0.00 61.00 61.92 1pnx s PRO 80 Cb -0.11 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.32 1pnx s PRO 80 CO 0.10 -1.69 -0.08 1.19 0.04 0.00 0.00 177.00 176.56 1pnx n PHE 81 N -3.47 0.00 -3.63 0.56 3.01 -1.26 -4.78 117.46 107.88 1pnx n PHE 81 Ca 0.07 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.42 1pnx n PHE 81 Cb 0.57 -0.97 -0.07 0.00 -0.01 0.00 0.00 39.48 39.00 1pnx n PHE 81 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1pnx s THR 82 N -2.49 0.00 0.24 4.37 -1.32 -1.26 -4.16 115.64 111.02 1pnx s THR 82 Ca -0.22 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1pnx s THR 82 Cb 0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 1pnx s THR 82 CO 0.69 0.00 -0.22 -1.61 -2.21 0.00 0.00 174.62 171.27 1pnx s GLU 83 N 0.22 1.61 0.44 7.08 0.41 -1.26 -4.60 118.70 122.60 1pnx s GLU 83 Ca 0.02 -1.66 -0.21 0.00 -0.41 0.00 0.00 54.97 52.70 1pnx s GLU 83 Cb -0.05 -1.80 -0.10 0.00 -1.78 0.00 0.00 34.13 30.40 1pnx s GLU 83 CO -0.03 0.36 0.98 0.15 -0.49 0.00 0.00 175.26 176.23 1pnx s LYS 84 N -3.13 4.12 -0.07 1.61 1.02 -1.26 -4.65 119.74 117.38 1pnx s LYS 84 Ca 0.26 1.23 -0.17 0.00 0.02 0.00 0.00 55.97 57.31 1pnx s LYS 84 Cb -0.06 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1pnx s LYS 84 CO 0.13 -0.14 0.45 -1.17 -0.92 0.00 0.00 175.35 173.70 1pnx s LEU 85 N -3.17 4.36 -0.15 3.17 2.96 -1.26 -4.91 118.68 119.68 1pnx s LEU 85 Ca 0.63 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.38 1pnx s LEU 85 Cb -0.13 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1pnx s LEU 85 CO 0.17 0.14 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.61 1pnx s VAL 86 N -0.10 3.95 0.00 1.68 1.01 -1.26 -4.88 120.40 120.81 1pnx s VAL 86 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1pnx s VAL 86 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1pnx s VAL 86 CO 0.12 0.50 0.00 0.54 0.00 0.00 0.00 175.10 176.26 1pnx n ARG 87 N 3.38 0.00 -0.56 2.72 5.12 -1.26 -5.26 116.66 120.80 1pnx n ARG 87 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1pnx n ARG 87 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1pnx n ARG 87 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87