#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx n ARG 12 N 0.00 0.00 -2.01 1.97 1.74 -1.26 -5.09 116.66 112.01 1pnx n ARG 12 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pnx n ARG 12 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1pnx n ARG 12 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1pnx n GLN 13 N -1.39 -1.41 -0.03 5.56 1.13 -1.05 -5.06 117.38 115.12 1pnx n GLN 13 Ca 0.00 1.43 -0.03 0.00 -1.94 0.00 0.00 57.00 56.46 1pnx n GLN 13 Cb 0.00 -2.89 -0.01 0.00 0.11 0.00 0.00 30.24 27.45 1pnx n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1pnx n VAL 14 N 0.21 0.64 0.00 5.09 0.31 0.82 -4.97 118.33 120.43 1pnx n VAL 14 Ca 0.01 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1pnx n VAL 14 Cb 0.02 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1pnx n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnx n ALA 15 N -3.04 0.00 -2.71 3.52 0.00 -1.04 -4.92 120.51 112.32 1pnx n ALA 15 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1pnx n ALA 15 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 1pnx n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pnx s SER 16 N -1.50 6.67 0.01 0.00 1.04 -1.26 0.36 113.70 119.02 1pnx s SER 16 Ca 0.00 0.80 -0.00 0.00 0.48 0.00 0.00 55.95 57.23 1pnx s SER 16 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1pnx s SER 16 CO 0.00 -0.04 0.02 0.61 0.98 0.00 0.00 173.24 174.81 1pnx n GLY 17 N 3.37 1.61 3.63 7.32 0.00 -0.36 -3.52 105.19 117.24 1pnx n GLY 17 Ca -0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1pnx n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnx s ARG 18 N -2.00 2.32 -0.16 1.61 0.52 0.10 -0.78 118.95 120.56 1pnx s ARG 18 Ca 0.00 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1pnx s ARG 18 Cb -0.00 -2.39 0.04 0.00 0.52 0.00 0.00 34.95 33.12 1pnx s ARG 18 CO 0.00 0.51 -0.05 0.00 0.02 0.00 0.00 175.30 175.78 1pnx s ALA 19 N -1.34 1.47 -0.30 2.13 0.00 0.81 0.79 121.76 125.32 1pnx s ALA 19 Ca 0.24 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1pnx s ALA 19 Cb -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1pnx s ALA 19 CO 0.16 -0.78 0.31 0.71 0.00 0.00 0.00 175.76 176.16 1pnx s TYR 20 N 1.64 3.23 -0.34 0.00 1.51 0.39 -0.24 117.35 123.53 1pnx s TYR 20 Ca 0.01 0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 56.11 1pnx s TYR 20 Cb -0.15 -2.55 0.01 0.00 -0.11 0.00 0.00 41.96 39.17 1pnx s TYR 20 CO -0.08 -0.29 0.17 0.42 -1.11 0.00 0.00 175.55 174.66 1pnx s ILE 21 N 1.94 4.48 -0.87 2.71 1.01 0.98 -1.40 121.20 130.05 1pnx s ILE 21 Ca 0.11 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 1pnx s ILE 21 Cb -0.16 -3.40 0.22 0.00 0.01 0.00 0.00 42.46 39.13 1pnx s ILE 21 CO 0.11 -0.08 0.78 -2.28 0.00 0.00 0.00 174.94 173.46 1pnx s HIS 22 N 1.56 3.84 0.64 3.97 5.65 -0.92 -0.21 115.29 129.82 1pnx s HIS 22 Ca 0.03 -2.64 -0.12 0.00 0.25 0.00 0.00 55.06 52.58 1pnx s HIS 22 Cb -0.18 -3.51 -0.02 0.00 -1.18 0.00 0.00 32.58 27.69 1pnx s HIS 22 CO 0.06 -0.87 1.04 0.00 -0.65 0.00 0.00 174.74 174.32 1pnx s ALA 23 N -0.68 2.85 -0.08 1.58 0.00 -0.62 -2.77 121.76 122.04 1pnx s ALA 23 Ca 0.24 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1pnx s ALA 23 Cb -0.11 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1pnx s ALA 23 CO -0.09 -0.91 0.99 0.45 0.00 0.00 0.00 175.76 176.20 1pnx s SER 24 N -3.69 -0.31 0.00 0.00 0.15 -1.03 -4.12 113.70 104.71 1pnx s SER 24 Ca 0.58 0.06 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1pnx s SER 24 Cb -0.13 0.31 0.22 0.00 -1.71 0.00 0.00 66.02 64.71 1pnx s SER 24 CO 0.50 -0.48 0.84 -1.22 1.20 0.00 0.00 173.24 174.08 1pnx n TYR 25 N -0.05 0.00 0.00 3.44 4.02 -1.26 -2.82 117.16 120.49 1pnx n TYR 25 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1pnx n TYR 25 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1pnx n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pnx n ASN 26 N -0.58 3.99 -3.60 7.72 3.02 -1.26 -4.74 115.26 119.81 1pnx n ASN 26 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.54 1pnx n ASN 26 Cb 0.01 0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 1pnx n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pnx s ASN 27 N -1.84 -0.13 -0.04 6.41 2.47 -1.17 -2.56 114.94 118.09 1pnx s ASN 27 Ca 0.00 -0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.30 1pnx s ASN 27 Cb 0.00 0.16 -0.01 0.00 -1.45 0.00 0.00 41.25 39.95 1pnx s ASN 27 CO 0.00 -0.27 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.03 1pnx s THR 28 N -2.45 1.62 -0.05 -5.21 2.01 -1.26 -2.45 115.64 107.85 1pnx s THR 28 Ca 0.10 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1pnx s THR 28 Cb 0.00 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.17 1pnx s THR 28 CO -0.04 0.46 0.07 -0.51 -0.69 0.00 0.00 174.62 173.90 1pnx s ILE 29 N -0.10 -0.13 -0.15 1.82 2.07 -1.11 -2.42 121.20 121.17 1pnx s ILE 29 Ca -0.02 0.42 -0.07 0.00 -1.41 0.00 0.00 60.65 59.57 1pnx s ILE 29 Cb -0.11 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 1pnx s ILE 29 CO 0.02 0.17 0.09 -0.69 -1.91 0.00 0.00 174.94 172.62 1pnx s VAL 30 N 2.18 5.02 -0.11 4.00 1.01 -0.54 -2.16 120.40 129.80 1pnx s VAL 30 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1pnx s VAL 30 Cb -0.12 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1pnx s VAL 30 CO -0.03 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 174.57 1pnx s THR 31 N -0.19 1.34 0.00 3.92 2.01 -0.49 -0.44 115.64 121.79 1pnx s THR 31 Ca 0.09 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1pnx s THR 31 Cb -0.12 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 1pnx s THR 31 CO 0.01 0.41 0.26 -0.63 -0.69 0.00 0.00 174.62 173.98 1pnx s ILE 32 N 1.13 5.31 0.17 1.82 -1.09 0.28 -0.47 121.20 128.35 1pnx s ILE 32 Ca -0.05 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1pnx s ILE 32 Cb -0.14 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1pnx s ILE 32 CO -0.03 0.38 0.13 0.28 -1.23 0.00 0.00 174.94 174.47 1pnx s THR 33 N -1.28 0.05 0.73 2.92 -1.32 0.24 0.14 115.64 117.11 1pnx s THR 33 Ca 0.27 -1.88 -0.11 0.00 -1.21 0.00 0.00 61.69 58.76 1pnx s THR 33 Cb -0.13 -2.24 0.03 0.00 -1.51 0.00 0.00 72.50 68.65 1pnx s THR 33 CO 0.16 -0.22 1.11 1.51 -2.21 0.00 0.00 174.62 174.97 1pnx s ASP 34 N -3.09 5.18 0.15 8.08 -4.77 -0.80 0.02 116.67 121.45 1pnx s ASP 34 Ca 0.30 1.00 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 1pnx s ASP 34 Cb 0.06 -1.72 0.00 0.00 -1.09 0.00 0.00 42.92 40.18 1pnx s ASP 34 CO 0.07 -1.49 0.61 -2.65 0.70 0.00 0.00 175.17 172.41 1pnx n PRO 35 N -3.07 0.01 -1.39 2.11 -0.02 -1.23 -1.33 135.00 130.08 1pnx n PRO 35 Ca 0.07 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1pnx n PRO 35 Cb 0.58 -2.09 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1pnx n PRO 35 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pnx n ASP 36 N -1.33 1.06 0.00 2.55 3.85 -1.26 -4.97 116.55 116.45 1pnx n ASP 36 Ca 0.00 -2.21 0.00 0.00 -0.71 0.00 0.00 54.79 51.87 1pnx n ASP 36 Cb 0.61 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1pnx n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1pnx n GLY 37 N 0.31 2.47 3.68 6.12 0.00 -0.44 -5.06 105.19 112.27 1pnx n GLY 37 Ca 0.07 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1pnx n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnx s ASN 38 N 0.25 6.81 0.45 1.61 -0.87 -1.26 -4.72 114.94 117.21 1pnx s ASN 38 Ca 0.00 2.12 -0.25 0.00 -1.57 0.00 0.00 52.86 53.16 1pnx s ASN 38 Cb 0.00 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.59 1pnx s ASN 38 CO 0.00 -0.78 1.43 -2.16 -2.57 0.00 0.00 177.10 173.02 1pnx s PRO 39 N 2.83 3.68 -0.26 -0.60 0.04 -1.26 -1.91 135.00 137.52 1pnx s PRO 39 Ca 0.65 2.42 -0.09 0.00 0.04 0.00 0.00 61.00 64.03 1pnx s PRO 39 Cb -0.31 -2.66 -0.13 0.00 0.04 0.00 0.00 34.50 31.44 1pnx s PRO 39 CO 0.26 -0.82 -0.31 -0.89 0.04 0.00 0.00 177.00 175.28 1pnx n ILE 40 N -0.20 1.46 -3.67 0.56 5.41 0.12 -4.87 119.36 118.17 1pnx n ILE 40 Ca 0.05 -0.43 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 1pnx n ILE 40 Cb 0.42 -1.72 -0.04 0.00 -0.71 0.00 0.00 39.64 37.59 1pnx n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1pnx s THR 41 N -2.49 0.06 -0.02 1.39 -4.23 -1.20 -5.03 115.64 104.11 1pnx s THR 41 Ca -0.36 -0.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1pnx s THR 41 Cb 0.13 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.69 1pnx s THR 41 CO 0.50 -0.27 0.21 -1.66 -0.54 0.00 0.00 174.62 172.87 1pnx s TRP 42 N -3.83 -0.09 0.26 3.99 1.48 -1.26 -0.56 118.94 118.94 1pnx s TRP 42 Ca 0.05 0.14 0.01 0.00 -1.06 0.00 0.00 56.10 55.24 1pnx s TRP 42 Cb 0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1pnx s TRP 42 CO -0.09 -0.29 0.13 0.45 -4.06 0.00 0.00 176.95 173.09 1pnx s SER 43 N -1.08 1.01 0.10 -2.66 0.15 0.42 -4.91 113.70 106.73 1pnx s SER 43 Ca -0.12 -1.45 -0.07 0.00 0.70 0.00 0.00 55.95 55.02 1pnx s SER 43 Cb -0.06 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1pnx s SER 43 CO 0.02 -0.82 0.34 -1.54 1.20 0.00 0.00 173.24 172.44 1pnx n SER 44 N -0.59 -0.72 0.16 5.45 3.41 -1.26 -1.47 113.62 118.60 1pnx n SER 44 Ca 0.01 -1.43 0.03 0.00 -0.26 0.00 0.00 58.87 57.21 1pnx n SER 44 Cb 0.66 1.18 0.23 0.00 -0.26 0.00 0.00 64.21 66.01 1pnx n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pnx h GLY 45 N 0.72 0.00 0.76 5.00 0.00 -1.68 -3.18 103.07 104.68 1pnx h GLY 45 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.94 1pnx h GLY 45 CO 0.14 0.00 -1.35 -1.33 0.00 0.00 0.00 176.54 174.00 1pnx h GLY 46 N 2.22 0.38 -0.61 4.60 0.00 -1.87 -3.31 103.07 104.47 1pnx h GLY 46 Ca -0.00 -0.97 0.33 0.00 0.00 0.00 0.00 47.33 46.68 1pnx h GLY 46 CO 0.06 0.85 0.50 -2.08 0.00 0.00 0.00 176.54 175.87 1pnx h VAL 47 N -0.18 0.24 -1.62 4.60 2.07 -1.85 -3.38 116.25 116.13 1pnx h VAL 47 Ca -0.27 -0.08 -0.43 0.00 0.82 0.00 0.00 66.70 66.74 1pnx h VAL 47 Cb 1.86 -0.02 0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1pnx h VAL 47 CO 0.14 0.04 -0.19 -0.63 0.02 0.00 0.00 177.57 176.95 1pnx s ILE 48 N -5.69 2.82 0.00 4.57 1.01 -1.21 -4.97 121.20 117.74 1pnx s ILE 48 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1pnx s ILE 48 Cb 0.30 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1pnx s ILE 48 CO 0.79 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.34 1pnx n GLY 49 N -2.02 0.00 0.23 6.18 0.00 -1.26 -4.75 105.19 103.57 1pnx n GLY 49 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1pnx n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pnx n TYR 50 N -0.15 0.02 -0.04 1.61 0.53 -1.25 -4.87 117.16 113.02 1pnx n TYR 50 Ca 0.00 0.07 -0.07 0.00 -1.02 0.00 0.00 57.90 56.88 1pnx n TYR 50 Cb 0.00 -0.14 -0.03 0.00 -1.03 0.00 0.00 39.34 38.14 1pnx n TYR 50 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1pnx n LYS 51 N 0.09 0.19 0.00 -0.72 5.02 -1.26 -3.96 118.16 117.51 1pnx n LYS 51 Ca 0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1pnx n LYS 51 Cb 0.01 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1pnx n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 52 N 2.85 0.67 0.19 0.72 0.00 -1.26 -4.75 105.19 103.60 1pnx n GLY 52 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1pnx n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pnx h SER 53 N 0.00 0.56 -1.12 1.61 0.87 -1.98 -2.93 113.55 110.56 1pnx h SER 53 Ca 0.00 -0.21 0.34 0.00 -1.23 0.00 0.00 61.79 60.69 1pnx h SER 53 Cb 0.00 -0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 61.69 1pnx h SER 53 CO 0.00 0.62 0.70 0.03 -0.53 0.00 0.00 176.83 177.65 1pnx h ARG 54 N 0.48 0.27 -1.04 2.24 2.47 -1.93 -0.66 114.38 116.22 1pnx h ARG 54 Ca 0.12 -0.02 0.26 0.00 -1.26 0.00 0.00 59.98 59.09 1pnx h ARG 54 Cb 0.26 -0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.41 1pnx h ARG 54 CO -0.00 0.18 0.65 -0.22 0.56 0.00 0.00 179.97 181.14 1pnx h LYS 55 N 0.28 0.43 0.09 0.04 3.64 -1.79 -3.09 116.57 116.17 1pnx h LYS 55 Ca 0.71 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1pnx h LYS 55 Cb 1.90 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1pnx h LYS 55 CO -0.42 0.29 -0.04 0.78 -2.27 0.00 0.00 179.45 177.78 1pnx h GLY 56 N 0.45 -0.12 0.00 5.01 0.00 -0.83 -3.36 103.07 104.22 1pnx h GLY 56 Ca 0.62 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1pnx h GLY 56 CO -0.36 -0.04 0.00 -0.37 0.00 0.00 0.00 176.54 175.77 1pnx n THR 57 N -2.53 0.00 -0.30 4.70 5.66 -1.17 -4.10 114.28 116.55 1pnx n THR 57 Ca -0.01 0.00 0.24 0.00 -3.05 0.00 0.00 64.05 61.23 1pnx n THR 57 Cb 0.05 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.38 1pnx n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1pnx h PRO 58 N 0.00 0.31 0.42 1.09 0.13 -1.82 -0.57 132.00 131.56 1pnx h PRO 58 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1pnx h PRO 58 Cb 0.00 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.05 1pnx h PRO 58 CO 0.00 0.20 -0.29 -0.92 -0.23 0.00 0.00 178.00 176.76 1pnx h TYR 59 N 0.32 -0.78 -0.24 1.56 3.20 -1.92 0.33 116.97 119.44 1pnx h TYR 59 Ca 0.55 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.48 1pnx h TYR 59 Cb 1.55 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 40.03 1pnx h TYR 59 CO -0.00 -0.44 -0.31 0.00 -1.64 0.00 0.00 178.16 175.77 1pnx h ALA 60 N -0.19 -0.26 -0.80 1.82 0.00 -1.38 0.42 119.26 118.87 1pnx h ALA 60 Ca -0.04 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1pnx h ALA 60 Cb 0.59 0.62 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1pnx h ALA 60 CO 0.02 -0.75 -0.16 0.00 0.00 0.00 0.00 179.25 178.36 1pnx h ALA 61 N 0.61 0.59 0.26 0.00 0.00 -0.91 0.38 119.26 120.19 1pnx h ALA 61 Ca 0.13 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1pnx h ALA 61 Cb 0.53 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pnx h ALA 61 CO -0.42 -0.42 -0.25 0.37 0.00 0.00 0.00 179.25 178.54 1pnx h GLN 62 N 0.01 -0.49 -0.73 0.00 4.15 0.38 0.63 115.11 119.06 1pnx h GLN 62 Ca 0.40 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.99 1pnx h GLN 62 Cb 0.63 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 28.30 1pnx h GLN 62 CO -0.80 -0.33 -0.26 -0.07 -1.93 0.00 0.00 178.83 175.44 1pnx h LEU 63 N -0.51 -0.94 -1.07 -2.39 3.38 0.43 0.14 115.31 114.35 1pnx h LEU 63 Ca -0.03 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.24 1pnx h LEU 63 Cb 0.44 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1pnx h LEU 63 CO -0.02 -0.28 0.62 0.00 0.09 0.00 0.00 178.44 178.86 1pnx h ALA 64 N 1.47 1.45 0.41 1.53 0.00 -0.04 0.14 119.26 124.22 1pnx h ALA 64 Ca 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1pnx h ALA 64 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pnx h ALA 64 CO -0.77 0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.66 1pnx h ALA 65 N 1.48 -0.59 0.24 0.00 0.00 0.16 -0.29 119.26 120.27 1pnx h ALA 65 Ca 0.41 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1pnx h ALA 65 Cb 0.18 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1pnx h ALA 65 CO -0.16 -0.84 -0.41 -0.07 0.00 0.00 0.00 179.25 177.77 1pnx h LEU 66 N -0.59 -1.18 -0.85 0.00 3.38 -0.59 -0.57 115.31 114.92 1pnx h LEU 66 Ca -0.05 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.25 1pnx h LEU 66 Cb 0.47 0.42 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 1pnx h LEU 66 CO 0.07 -0.52 0.20 -0.78 0.09 0.00 0.00 178.44 177.50 1pnx h ASP 67 N -0.73 -0.03 -0.02 -0.43 -0.00 -0.66 0.33 116.42 114.88 1pnx h ASP 67 Ca -0.00 0.19 0.01 0.00 -0.00 0.00 0.00 57.03 57.23 1pnx h ASP 67 Cb 0.71 0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 40.28 1pnx h ASP 67 CO -0.17 -0.14 -0.05 0.00 -0.00 0.00 0.00 179.24 178.89 1pnx h ALA 68 N 1.75 -0.03 0.70 -0.78 0.00 0.20 -1.58 119.26 119.52 1pnx h ALA 68 Ca 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1pnx h ALA 68 Cb 1.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pnx h ALA 68 CO -0.63 -0.54 -0.34 0.00 0.00 0.00 0.00 179.25 177.74 1pnx h ALA 69 N 0.93 -0.94 -0.74 0.00 0.00 0.76 -1.88 119.26 117.40 1pnx h ALA 69 Ca 0.03 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1pnx h ALA 69 Cb 0.12 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1pnx h ALA 69 CO -0.07 -0.91 -0.43 1.63 0.00 0.00 0.00 179.25 179.46 1pnx n LYS 70 N -5.42 -0.32 -0.30 0.00 5.02 0.88 0.71 118.16 118.72 1pnx n LYS 70 Ca -0.12 1.37 0.15 0.00 -2.02 0.00 0.00 58.31 57.68 1pnx n LYS 70 Cb 0.39 -2.03 0.39 0.00 -0.02 0.00 0.00 35.03 33.76 1pnx n LYS 70 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pnx h LYS 71 N 0.00 0.63 0.00 1.97 1.57 -1.32 0.27 116.57 119.69 1pnx h LYS 71 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1pnx h LYS 71 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1pnx h LYS 71 CO -0.69 0.41 -0.00 0.00 -0.57 0.00 0.00 179.45 178.60 1pnx h ALA 72 N 1.62 1.00 -0.17 3.86 0.00 0.11 -2.78 119.26 122.90 1pnx h ALA 72 Ca 0.52 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1pnx h ALA 72 Cb 0.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1pnx h ALA 72 CO -0.27 0.00 -0.09 0.52 0.00 0.00 0.00 179.25 179.41 1pnx h MET 73 N 0.00 0.26 0.25 0.00 2.86 0.40 -1.84 114.93 116.86 1pnx h MET 73 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1pnx h MET 73 Cb 0.80 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1pnx h MET 73 CO 0.00 0.36 -0.21 0.00 1.06 0.00 0.00 176.91 178.12 1pnx h ALA 74 N 1.67 -0.46 0.00 6.32 0.00 -1.40 0.16 119.26 125.55 1pnx h ALA 74 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pnx h ALA 74 Cb 0.31 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pnx h ALA 74 CO 0.02 -0.78 0.00 0.66 0.00 0.00 0.00 179.25 179.15 1pnx n TYR 75 N -5.34 0.00 -1.65 0.00 4.02 -1.03 -4.43 117.16 108.73 1pnx n TYR 75 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.73 1pnx n TYR 75 Cb 0.25 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 1pnx n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pnx n GLY 76 N -0.08 0.55 3.73 2.72 0.00 0.55 -0.13 105.19 112.54 1pnx n GLY 76 Ca 0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1pnx n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pnx s MET 77 N -3.46 2.19 0.19 1.61 -1.94 -0.72 -2.49 119.30 114.69 1pnx s MET 77 Ca 0.00 1.55 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 1pnx s MET 77 Cb 0.00 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.98 1pnx s MET 77 CO 0.00 -1.75 0.00 1.04 -0.01 0.00 0.00 175.02 174.30 1pnx n GLN 78 N -2.93 0.00 -4.38 2.03 6.02 0.16 -4.67 117.38 113.61 1pnx n GLN 78 Ca 0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.77 1pnx n GLN 78 Cb 0.51 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.68 1pnx n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pnx s SER 79 N -4.07 5.02 0.04 1.08 0.15 -0.84 -0.26 113.70 114.82 1pnx s SER 79 Ca 0.00 0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 1pnx s SER 79 Cb 0.00 -1.32 -0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1pnx s SER 79 CO 0.00 0.32 0.14 -0.69 1.20 0.00 0.00 173.24 174.21 1pnx s VAL 80 N -0.98 0.12 -0.20 4.45 1.01 -0.61 -1.22 120.40 122.97 1pnx s VAL 80 Ca 0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1pnx s VAL 80 Cb -0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1pnx s VAL 80 CO 0.07 -0.57 -0.04 -1.81 0.00 0.00 0.00 175.10 172.75 1pnx s ASP 81 N -2.18 4.42 0.09 3.32 1.11 0.04 0.09 116.67 123.57 1pnx s ASP 81 Ca -0.04 -0.33 -0.18 0.00 0.18 0.00 0.00 52.55 52.18 1pnx s ASP 81 Cb -0.00 -1.75 -0.07 0.00 1.07 0.00 0.00 42.92 42.17 1pnx s ASP 81 CO -0.05 0.03 0.57 -0.69 1.18 0.00 0.00 175.17 176.21 1pnx s VAL 82 N 1.21 4.76 -0.18 -1.27 1.01 0.30 -0.13 120.40 126.10 1pnx s VAL 82 Ca 0.03 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1pnx s VAL 82 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1pnx s VAL 82 CO -0.01 0.47 0.00 -0.63 0.00 0.00 0.00 175.10 174.94 1pnx s ILE 83 N -1.20 0.75 -0.14 2.22 1.01 0.66 -1.40 121.20 123.10 1pnx s ILE 83 Ca 0.31 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 1pnx s ILE 83 Cb -0.18 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1pnx s ILE 83 CO 0.19 -0.06 0.38 0.68 0.00 0.00 0.00 174.94 176.13 1pnx s VAL 84 N 1.77 5.24 -0.10 2.92 -7.23 0.80 -0.02 120.40 123.79 1pnx s VAL 84 Ca -0.00 0.75 0.01 0.00 -1.81 0.00 0.00 61.98 60.92 1pnx s VAL 84 Cb -0.16 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.08 1pnx s VAL 84 CO -0.07 0.37 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.85 1pnx s ARG 85 N 0.49 1.73 0.00 4.82 1.81 0.71 -1.13 118.95 127.39 1pnx s ARG 85 Ca 0.21 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 1pnx s ARG 85 Cb -0.14 -1.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.76 1pnx s ARG 85 CO 0.07 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 1pnx n GLY 86 N 4.44 -1.09 3.25 -3.53 0.00 -1.26 -1.59 105.19 105.40 1pnx n GLY 86 Ca -0.17 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1pnx n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnx s THR 87 N -1.58 1.51 -1.90 2.61 2.01 -1.26 -4.60 115.64 112.43 1pnx s THR 87 Ca 0.00 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1pnx s THR 87 Cb 0.00 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1pnx s THR 87 CO 0.00 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1pnx n GLY 88 N 1.12 -1.74 3.52 4.40 0.00 -1.26 -3.49 105.19 107.73 1pnx n GLY 88 Ca -0.20 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1pnx n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx n ALA 89 N 0.00 0.72 -2.80 4.61 0.00 -1.13 -3.13 120.51 118.78 1pnx n ALA 89 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 1pnx n ALA 89 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 16.85 1pnx n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnx n GLY 90 N 6.07 -1.42 0.10 0.00 0.00 -1.26 -3.80 105.19 104.88 1pnx n GLY 90 Ca 0.60 1.19 -0.12 0.00 0.00 0.00 0.00 46.02 47.70 1pnx n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pnx n ARG 91 N -0.27 0.73 -0.01 1.61 0.63 -1.18 -4.28 116.66 113.90 1pnx n ARG 91 Ca 0.11 0.02 -0.05 0.00 -0.92 0.00 0.00 57.85 57.01 1pnx n ARG 91 Cb 0.43 -1.51 0.15 0.00 0.45 0.00 0.00 32.46 31.97 1pnx n ARG 91 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1pnx h GLU 92 N 0.00 0.55 -1.01 -0.14 3.07 -1.93 -2.43 114.58 112.69 1pnx h GLU 92 Ca -0.55 -0.24 0.04 0.00 -0.50 0.00 0.00 59.36 58.11 1pnx h GLU 92 Cb 2.15 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.98 1pnx h GLU 92 CO 0.00 0.80 0.66 1.96 -1.40 0.00 0.00 179.01 181.03 1pnx h GLN 93 N 0.47 1.24 -0.28 2.33 1.08 -1.89 -0.41 115.11 117.65 1pnx h GLN 93 Ca 0.06 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1pnx h GLN 93 Cb 0.77 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1pnx h GLN 93 CO 0.06 0.82 0.07 0.00 -0.95 0.00 0.00 178.83 178.83 1pnx h ALA 94 N 1.41 0.37 0.00 3.87 0.00 -1.67 0.31 119.26 123.54 1pnx h ALA 94 Ca 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pnx h ALA 94 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pnx h ALA 94 CO -0.12 0.02 0.00 -0.89 0.00 0.00 0.00 179.25 178.26 1pnx n ILE 95 N -4.69 0.92 -0.12 0.00 5.41 -0.66 -2.19 119.36 118.04 1pnx n ILE 95 Ca -0.03 0.52 -0.24 0.00 1.00 0.00 0.00 62.75 64.01 1pnx n ILE 95 Cb 0.18 -1.50 -0.10 0.00 -0.71 0.00 0.00 39.64 37.51 1pnx n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pnx n ARG 96 N -2.29 0.57 -0.01 0.38 1.74 -0.25 -3.52 116.66 113.28 1pnx n ARG 96 Ca 0.00 0.45 0.23 0.00 -0.77 0.00 0.00 57.85 57.77 1pnx n ARG 96 Cb 0.12 -1.64 0.71 0.00 -1.02 0.00 0.00 32.46 30.63 1pnx n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pnx h ALA 97 N -0.71 2.39 0.30 7.54 0.00 -0.26 -0.06 119.26 128.45 1pnx h ALA 97 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1pnx h ALA 97 Cb 1.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1pnx h ALA 97 CO -0.27 -0.87 -0.14 -0.07 0.00 0.00 0.00 179.25 177.89 1pnx h LEU 98 N 0.00 -0.34 -1.50 0.00 3.38 -1.59 0.36 115.31 115.62 1pnx h LEU 98 Ca 0.28 0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.67 1pnx h LEU 98 Cb 1.41 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 42.13 1pnx h LEU 98 CO -0.00 0.08 0.86 1.56 0.09 0.00 0.00 178.44 181.02 1pnx h GLN 99 N -1.03 0.13 0.10 1.13 4.20 -1.10 0.78 115.11 119.32 1pnx h GLN 99 Ca -0.04 -0.01 -0.34 0.00 0.06 0.00 0.00 58.65 58.32 1pnx h GLN 99 Cb 0.31 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1pnx h GLN 99 CO 0.07 0.09 -1.83 0.00 -0.67 0.00 0.00 178.83 176.49 1pnx h ALA 100 N 1.54 0.47 -0.63 3.87 0.00 -1.24 -3.38 119.26 119.89 1pnx h ALA 100 Ca 0.76 -1.35 0.25 0.00 0.00 0.00 0.00 54.91 54.57 1pnx h ALA 100 Cb 2.41 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 20.67 1pnx h ALA 100 CO -0.32 1.33 0.37 -1.13 0.00 0.00 0.00 179.25 179.50 1pnx n SER 101 N -3.38 0.17 0.00 0.00 3.41 0.13 -4.62 113.62 109.33 1pnx n SER 101 Ca -0.25 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1pnx n SER 101 Cb 1.05 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1pnx n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pnx n GLY 102 N -1.19 2.73 3.75 5.00 0.00 -1.24 -4.92 105.19 109.32 1pnx n GLY 102 Ca 0.22 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1pnx n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnx s LEU 103 N 0.00 4.36 -0.26 0.99 1.43 -1.26 -4.93 118.68 119.01 1pnx s LEU 103 Ca 0.00 2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 1pnx s LEU 103 Cb 0.00 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1pnx s LEU 103 CO 0.00 -0.80 1.07 -1.58 0.23 0.00 0.00 176.35 175.27 1pnx s GLN 104 N -0.71 4.18 -0.38 1.70 0.74 0.64 -4.59 119.66 121.23 1pnx s GLN 104 Ca 0.59 1.26 -0.26 0.00 0.05 0.00 0.00 55.36 57.00 1pnx s GLN 104 Cb -0.45 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 29.99 1pnx s GLN 104 CO 0.48 -0.75 0.92 0.08 -0.55 0.00 0.00 175.29 175.47 1pnx s VAL 105 N 3.41 4.59 0.18 1.34 1.01 -1.26 -1.57 120.40 128.09 1pnx s VAL 105 Ca 0.45 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.59 1pnx s VAL 105 Cb -0.14 -4.33 -0.12 0.00 0.00 0.00 0.00 36.38 31.79 1pnx s VAL 105 CO 0.10 -0.55 1.42 0.11 0.00 0.00 0.00 175.10 176.18 1pnx h LYS 106 N 8.52 0.25 -1.29 2.72 1.79 -0.73 -3.48 116.57 124.36 1pnx h LYS 106 Ca -0.23 -0.24 0.16 0.00 -2.18 0.00 0.00 60.65 58.16 1pnx h LYS 106 Cb 1.08 0.06 -0.27 0.00 -1.58 0.00 0.00 32.23 31.52 1pnx h LYS 106 CO 0.98 0.92 0.75 -1.54 -1.08 0.00 0.00 179.45 179.48 1pnx s SER 107 N -6.94 -0.20 -0.09 0.86 1.04 -1.25 -5.02 113.70 102.10 1pnx s SER 107 Ca -0.04 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 1pnx s SER 107 Cb 0.10 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1pnx s SER 107 CO 0.83 -0.14 -0.06 -0.63 0.98 0.00 0.00 173.24 174.21 1pnx s ILE 108 N -0.67 3.75 -0.11 -1.02 1.01 -1.26 0.11 121.20 123.02 1pnx s ILE 108 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1pnx s ILE 108 Cb -0.02 -2.56 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1pnx s ILE 108 CO -0.06 0.58 0.25 -0.69 0.00 0.00 0.00 174.94 175.02 1pnx s VAL 109 N -0.59 -0.15 -0.25 2.92 1.01 -0.49 -4.96 120.40 117.89 1pnx s VAL 109 Ca 0.09 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1pnx s VAL 109 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1pnx s VAL 109 CO 0.02 0.08 0.79 -0.62 0.00 0.00 0.00 175.10 175.37 1pnx s ASP 110 N 1.61 6.77 -0.10 3.32 -1.08 -1.26 -0.14 116.67 125.79 1pnx s ASP 110 Ca -0.06 0.95 0.19 0.00 -0.52 0.00 0.00 52.55 53.11 1pnx s ASP 110 Cb -0.11 -2.42 0.43 0.00 -1.46 0.00 0.00 42.92 39.36 1pnx s ASP 110 CO -0.08 -0.50 1.19 -0.67 0.52 0.00 0.00 175.17 175.62 1pnx n ASP 111 N 5.98 1.39 -4.68 -0.34 2.03 -0.28 -4.94 116.55 115.71 1pnx n ASP 111 Ca 0.04 -2.84 -0.43 0.00 0.52 0.00 0.00 54.79 52.08 1pnx n ASP 111 Cb 0.48 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 1pnx n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1pnx n THR 112 N -0.23 0.45 -2.05 5.18 -1.04 -1.19 -4.85 114.28 110.55 1pnx n THR 112 Ca 0.12 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.69 1pnx n THR 112 Cb 0.94 -2.10 0.03 0.00 -1.82 0.00 0.00 70.33 67.38 1pnx n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1pnx s PRO 113 N 3.14 3.09 -0.17 -2.82 0.04 -1.26 -4.89 135.00 132.12 1pnx s PRO 113 Ca 0.84 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1pnx s PRO 113 Cb -0.51 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1pnx s PRO 113 CO 0.40 -1.11 0.42 0.54 0.04 0.00 0.00 177.00 177.29 1pnx s VAL 114 N -1.59 -0.02 0.71 -0.36 0.11 -1.26 -4.98 120.40 113.01 1pnx s VAL 114 Ca 0.76 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.77 1pnx s VAL 114 Cb -0.30 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1pnx s VAL 114 CO 0.33 0.03 1.08 -2.84 -3.33 0.00 0.00 175.10 170.37 1pnx s PRO 115 N 1.22 2.79 -0.65 1.54 0.02 -1.26 -4.89 135.00 133.77 1pnx s PRO 115 Ca -0.08 0.69 -0.01 0.00 0.02 0.00 0.00 61.00 61.62 1pnx s PRO 115 Cb -0.07 -1.99 0.44 0.00 0.02 0.00 0.00 34.50 32.90 1pnx s PRO 115 CO -0.11 -1.14 1.96 0.72 -0.33 0.00 0.00 177.00 178.10 1pnx n HIS 116 N -3.12 3.18 -2.06 6.54 8.25 -1.26 -4.84 115.22 121.92 1pnx n HIS 116 Ca 0.07 -2.92 -0.00 0.00 -0.26 0.00 0.00 57.72 54.61 1pnx n HIS 116 Cb 0.55 -1.33 -0.00 0.00 1.12 0.00 0.00 29.99 30.33 1pnx n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pnx n ASN 117 N -0.87 -4.20 0.07 0.41 3.02 -1.26 -5.09 115.26 107.33 1pnx n ASN 117 Ca 0.61 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 1pnx n ASN 117 Cb 0.66 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 1pnx n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pnx n GLY 118 N 0.42 -0.09 3.68 7.41 0.00 -1.26 -5.08 105.19 110.26 1pnx n GLY 118 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1pnx n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx s ARG 120 N -0.55 4.18 0.66 0.00 3.52 -1.26 -4.95 118.95 120.55 1pnx s ARG 120 Ca 0.10 2.44 -0.11 0.00 -0.13 0.00 0.00 55.73 58.03 1pnx s ARG 120 Cb -0.12 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1pnx s ARG 120 CO 0.02 -0.67 1.06 -1.25 -0.81 0.00 0.00 175.30 173.65 1pnx s PRO 121 N 1.42 3.17 0.62 5.12 0.04 -1.26 -5.01 135.00 139.10 1pnx s PRO 121 Ca 0.72 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 1pnx s PRO 121 Cb -0.45 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1pnx s PRO 121 CO 0.32 -0.82 1.20 -1.59 0.04 0.00 0.00 177.00 176.15 1pnx s LYS 122 N -5.26 2.81 0.15 4.56 -2.85 -1.26 -4.70 119.74 113.20 1pnx s LYS 122 Ca 0.57 1.78 -0.16 0.00 -1.00 0.00 0.00 55.97 57.15 1pnx s LYS 122 Cb -0.11 -1.91 0.10 0.00 -2.06 0.00 0.00 37.83 33.85 1pnx s LYS 122 CO 0.52 -1.32 1.15 1.17 0.10 0.00 0.00 175.35 176.97 1pnx n LYS 123 N -1.86 -0.22 -0.44 1.78 4.81 -1.26 0.12 118.16 121.10 1pnx n LYS 123 Ca 0.13 1.13 0.40 0.00 -0.87 0.00 0.00 58.31 59.11 1pnx n LYS 123 Cb 0.50 -1.68 0.71 0.00 0.02 0.00 0.00 35.03 34.58 1pnx n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1pnx h LYS 124 N 0.00 0.00 -0.13 1.64 3.11 -2.05 0.20 116.57 119.35 1pnx h LYS 124 Ca 0.21 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1pnx h LYS 124 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1pnx h LYS 124 CO -0.72 0.00 0.00 1.19 -2.81 0.00 0.00 179.45 177.11 1pnx n PHE 125 N -3.80 0.44 0.00 1.91 3.01 0.33 -4.92 117.46 114.44 1pnx n PHE 125 Ca 0.32 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.87 1pnx n PHE 125 Cb 1.62 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 40.87 1pnx n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pnx n ARG 126 N -0.93 0.00 -1.11 -1.08 1.74 0.72 -4.85 116.66 111.14 1pnx n ARG 126 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1pnx n ARG 126 Cb 0.74 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.18 1pnx n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pnx n LYS 127 N 0.00 -0.04 0.00 5.56 4.76 -1.26 -4.70 118.16 122.47 1pnx n LYS 127 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1pnx n LYS 127 Cb 0.00 0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 1pnx n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pnx n ALA 128 N -0.23 0.00 -0.31 7.82 0.00 -1.26 -5.22 120.51 121.31 1pnx n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pnx n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pnx n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37