#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdx s LYS 2 N 0.00 4.22 -0.03 4.33 3.01 -1.26 -1.76 119.74 128.25 1pdx s LYS 2 Ca 0.00 1.69 0.00 0.00 -1.01 0.00 0.00 55.97 56.65 1pdx s LYS 2 Cb 0.00 -2.72 0.03 0.00 -1.01 0.00 0.00 37.83 34.12 1pdx s LYS 2 CO 0.00 -0.13 -0.00 0.08 0.51 0.00 0.00 175.35 175.81 1pdx s VAL 3 N -1.47 0.19 -0.31 3.17 1.01 -1.20 -0.90 120.40 120.89 1pdx s VAL 3 Ca 0.55 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1pdx s VAL 3 Cb -0.27 -0.28 0.12 0.00 0.00 0.00 0.00 36.38 35.95 1pdx s VAL 3 CO 0.34 0.14 0.19 -0.69 0.00 0.00 0.00 175.10 175.09 1pdx s VAL 4 N 0.99 -0.07 0.50 2.92 1.01 0.09 0.38 120.40 126.22 1pdx s VAL 4 Ca -0.10 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 1pdx s VAL 4 Cb -0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 1pdx s VAL 4 CO -0.02 -0.76 1.01 -0.31 0.00 0.00 0.00 175.10 175.02 1pdx s TYR 5 N 1.80 3.15 0.37 5.22 1.51 -1.06 -1.29 117.35 127.04 1pdx s TYR 5 Ca 0.12 1.55 0.08 0.00 -1.01 0.00 0.00 57.07 57.81 1pdx s TYR 5 Cb -0.18 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1pdx s TYR 5 CO -0.23 -0.63 0.19 0.08 -1.11 0.00 0.00 175.55 173.84 1pdx s VAL 6 N -2.23 2.83 0.00 0.71 1.01 0.91 -0.43 120.40 123.21 1pdx s VAL 6 Ca 0.64 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1pdx s VAL 6 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1pdx s VAL 6 CO 0.23 -0.12 0.00 -1.54 0.00 0.00 0.00 175.10 173.68 1pdx n SER 7 N -1.23 0.27 0.01 3.32 3.41 0.99 -1.34 113.62 119.06 1pdx n SER 7 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 1pdx n SER 7 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1pdx n SER 7 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pdx n HIS 8 N 0.00 0.90 1.07 7.33 -0.00 -1.16 -3.46 115.22 119.90 1pdx n HIS 8 Ca 0.00 0.31 0.12 0.00 -0.00 0.00 0.00 57.72 58.15 1pdx n HIS 8 Cb 0.00 -1.10 0.22 0.00 -0.00 0.00 0.00 29.99 29.11 1pdx n HIS 8 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1pdx n ASP 9 N -2.91 0.82 0.00 0.41 5.75 -1.26 -4.92 116.55 114.44 1pdx n ASP 9 Ca -0.13 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1pdx n ASP 9 Cb 0.92 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 1pdx n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pdx n GLY 10 N 1.45 1.00 3.75 6.12 0.00 -1.25 -5.08 105.19 111.18 1pdx n GLY 10 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1pdx n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pdx s THR 11 N -2.00 2.78 0.52 2.61 2.01 -1.26 -4.33 115.64 115.97 1pdx s THR 11 Ca 0.00 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1pdx s THR 11 Cb 0.00 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 1pdx s THR 11 CO 0.00 0.12 0.01 -0.13 -0.69 0.00 0.00 174.62 173.93 1pdx s ARG 12 N -0.69 2.22 0.30 4.92 3.00 -1.26 0.33 118.95 127.78 1pdx s ARG 12 Ca 0.56 -2.44 0.03 0.00 0.00 0.00 0.00 55.73 53.88 1pdx s ARG 12 Cb -0.40 -1.47 -0.04 0.00 0.00 0.00 0.00 34.95 33.04 1pdx s ARG 12 CO 0.45 -0.41 0.13 -0.98 0.00 0.00 0.00 175.30 174.49 1pdx s ARG 13 N -3.89 1.57 -0.20 3.54 3.03 0.43 -4.94 118.95 118.49 1pdx s ARG 13 Ca 0.02 -1.89 -0.04 0.00 2.03 0.00 0.00 55.73 55.85 1pdx s ARG 13 Cb 0.00 -0.22 0.10 0.00 -1.03 0.00 0.00 34.95 33.81 1pdx s ARG 13 CO 0.01 -0.40 0.35 -1.21 -1.13 0.00 0.00 175.30 172.93 1pdx s GLU 14 N -3.87 0.29 0.00 3.89 2.02 -1.26 -2.56 118.70 117.21 1pdx s GLU 14 Ca 0.35 0.69 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1pdx s GLU 14 Cb 0.06 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.06 1pdx s GLU 14 CO 0.16 -0.46 0.00 1.28 0.02 0.00 0.00 175.26 176.26 1pdx n LEU 15 N 5.37 0.00 -2.91 1.80 4.77 0.16 -4.94 117.00 121.25 1pdx n LEU 15 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1pdx n LEU 15 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1pdx n LEU 15 CO 0.04 0.00 0.02 -0.67 -1.33 0.00 0.00 177.39 175.45 1pdx n ASP 16 N 0.00 -2.00 -4.69 -1.43 -0.08 -1.26 -3.21 116.55 103.88 1pdx n ASP 16 Ca 0.00 -3.03 -0.40 0.00 -1.51 0.00 0.00 54.79 49.85 1pdx n ASP 16 Cb 0.00 1.01 -0.05 0.00 2.34 0.00 0.00 41.12 44.41 1pdx n ASP 16 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1pdx s VAL 17 N 0.18 5.04 0.77 5.18 1.01 -0.72 -4.61 120.40 127.25 1pdx s VAL 17 Ca 0.33 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1pdx s VAL 17 Cb 0.17 -3.97 0.16 0.00 0.00 0.00 0.00 36.38 32.74 1pdx s VAL 17 CO -0.18 0.18 1.06 0.00 0.00 0.00 0.00 175.10 176.15 1pdx n ALA 18 N 4.48 -0.21 -1.58 5.51 0.00 -1.26 0.16 120.51 127.61 1pdx n ALA 18 Ca -0.02 -1.86 -0.46 0.00 0.00 0.00 0.00 53.44 51.10 1pdx n ALA 18 Cb 0.50 0.22 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1pdx n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pdx n ASP 19 N -3.13 3.06 0.00 0.00 5.75 0.05 -1.30 116.55 120.98 1pdx n ASP 19 Ca 0.16 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1pdx n ASP 19 Cb 0.57 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 1pdx n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pdx n GLY 20 N 5.67 2.47 3.84 6.12 0.00 -1.18 -4.97 105.19 117.15 1pdx n GLY 20 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1pdx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pdx s VAL 21 N -2.26 4.66 -0.15 1.61 1.01 -0.42 -4.86 120.40 119.99 1pdx s VAL 21 Ca 0.00 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 1pdx s VAL 21 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1pdx s VAL 21 CO 0.00 -0.02 0.33 -0.94 0.00 0.00 0.00 175.10 174.46 1pdx s SER 22 N -2.04 6.48 0.60 3.32 1.04 -1.26 -0.85 113.70 121.00 1pdx s SER 22 Ca 0.49 0.57 0.29 0.00 0.48 0.00 0.00 55.95 57.78 1pdx s SER 22 Cb -0.13 -2.20 1.20 0.00 0.10 0.00 0.00 66.02 64.99 1pdx s SER 22 CO 0.19 0.09 1.55 -0.07 0.98 0.00 0.00 173.24 175.98 1pdx h LEU 23 N 6.64 0.00 -1.69 2.42 3.38 -1.24 3.02 115.31 127.84 1pdx h LEU 23 Ca -0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1pdx h LEU 23 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pdx h LEU 23 CO 0.75 0.00 -0.12 -0.03 0.09 0.00 0.00 178.44 179.13 1pdx h MET 24 N 0.00 0.00 0.00 1.13 1.85 -1.76 0.11 114.93 116.26 1pdx h MET 24 Ca 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.51 1pdx h MET 24 Cb 2.31 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.34 1pdx h MET 24 CO -0.00 0.12 -0.18 0.37 -0.40 0.00 0.00 176.91 176.81 1pdx h GLN 25 N 0.00 0.00 -0.68 0.39 4.15 0.52 -3.10 115.11 116.38 1pdx h GLN 25 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1pdx h GLN 25 Cb 0.46 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.02 1pdx h GLN 25 CO 0.02 0.00 -0.16 0.00 -1.93 0.00 0.00 178.83 176.76 1pdx h ALA 26 N -1.54 0.47 -0.24 3.38 0.00 -1.51 -0.51 119.26 119.30 1pdx h ALA 26 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1pdx h ALA 26 Cb 0.18 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1pdx h ALA 26 CO 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 179.25 178.77 1pdx h ALA 27 N 1.68 0.16 0.00 0.00 0.00 -0.95 0.27 119.26 120.42 1pdx h ALA 27 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pdx h ALA 27 Cb 0.51 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pdx h ALA 27 CO -0.70 -0.47 0.00 1.55 0.00 0.00 0.00 179.25 179.63 1pdx n VAL 28 N -5.22 0.15 -0.08 0.00 3.14 -0.32 0.76 118.33 116.77 1pdx n VAL 28 Ca -0.01 0.04 -0.09 0.00 -2.96 0.00 0.00 64.34 61.32 1pdx n VAL 28 Cb 0.14 -0.85 -0.12 0.00 -1.06 0.00 0.00 33.84 31.95 1pdx n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1pdx n SER 29 N -1.06 1.24 -0.90 6.55 2.88 0.78 -4.31 113.62 118.80 1pdx n SER 29 Ca 0.08 -0.01 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1pdx n SER 29 Cb 0.05 0.75 0.27 0.00 -0.75 0.00 0.00 64.21 64.53 1pdx n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pdx n ASN 30 N -2.65 2.70 0.00 -3.46 3.02 -0.08 -4.89 115.26 109.90 1pdx n ASN 30 Ca -0.27 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 1pdx n ASN 30 Cb 1.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1pdx n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pdx n GLY 31 N 1.35 0.71 0.21 7.41 0.00 -0.67 -4.97 105.19 109.23 1pdx n GLY 31 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1pdx n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pdx h ILE 32 N 0.00 0.25 -0.20 -0.61 2.04 0.05 -3.25 117.51 115.78 1pdx h ILE 32 Ca 0.00 -0.74 -0.36 0.00 1.00 0.00 0.00 64.86 64.76 1pdx h ILE 32 Cb 0.00 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1pdx h ILE 32 CO 0.00 0.06 0.72 -1.22 0.00 0.00 0.00 178.15 177.71 1pdx n TYR 33 N -5.08 0.83 -0.24 1.37 4.02 -1.09 -4.60 117.16 112.38 1pdx n TYR 33 Ca -0.07 -1.95 0.32 0.00 -0.01 0.00 0.00 57.90 56.19 1pdx n TYR 33 Cb 0.23 -1.77 0.73 0.00 -0.02 0.00 0.00 39.34 38.51 1pdx n TYR 33 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1pdx h ASP 34 N 3.48 0.00 -2.53 7.72 2.03 -1.86 -3.31 116.42 121.96 1pdx h ASP 34 Ca 0.38 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 56.11 1pdx h ASP 34 Cb 1.10 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.50 1pdx h ASP 34 CO 0.69 0.00 0.87 0.27 -1.03 0.00 0.00 179.24 180.05 1pdx s ILE 35 N -4.90 3.95 -1.39 4.15 -4.36 -1.26 -4.92 121.20 112.46 1pdx s ILE 35 Ca -0.05 0.19 -0.16 0.00 -0.26 0.00 0.00 60.65 60.37 1pdx s ILE 35 Cb 0.21 -4.82 0.05 0.00 1.25 0.00 0.00 42.46 39.15 1pdx s ILE 35 CO 0.76 -1.68 2.05 0.52 0.24 0.00 0.00 174.94 176.82 1pdx n VAL 36 N 6.24 3.61 -2.24 8.37 0.31 -1.25 -4.63 118.33 128.75 1pdx n VAL 36 Ca 0.01 -3.40 -0.25 0.00 -0.01 0.00 0.00 64.34 60.69 1pdx n VAL 36 Cb 0.48 -2.51 0.01 0.00 -0.91 0.00 0.00 33.84 30.91 1pdx n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pdx n GLY 37 N 4.59 6.13 3.95 2.92 0.00 -1.26 -5.05 105.19 116.46 1pdx n GLY 37 Ca 0.51 -2.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 1pdx n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pdx s ASP 38 N -3.57 5.01 0.00 1.61 1.01 -1.26 -4.43 116.67 115.04 1pdx s ASP 38 Ca 0.49 0.27 0.22 0.00 0.71 0.00 0.00 52.55 54.24 1pdx s ASP 38 Cb 0.40 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.29 1pdx s ASP 38 CO -0.07 -1.41 1.06 0.00 0.21 0.00 0.00 175.17 174.97 1pdx n GLY 40 N 1.40 -0.01 1.88 0.00 0.00 -1.26 -2.51 105.19 104.69 1pdx n GLY 40 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1pdx n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdx n GLY 41 N -1.03 0.44 0.69 -0.02 0.00 -1.26 -4.90 105.19 99.12 1pdx n GLY 41 Ca -0.11 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.22 1pdx n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pdx n SER 42 N 1.48 2.29 -3.65 1.61 2.88 -1.04 -4.96 113.62 112.23 1pdx n SER 42 Ca 0.00 -1.69 -0.25 0.00 -1.33 0.00 0.00 58.87 55.61 1pdx n SER 42 Cb 0.00 0.11 0.04 0.00 -0.75 0.00 0.00 64.21 63.61 1pdx n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pdx n ALA 43 N 0.62 -2.30 -2.50 -1.46 0.00 -1.26 -4.91 120.51 108.70 1pdx n ALA 43 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1pdx n ALA 43 Cb 0.50 -3.37 0.02 0.00 0.00 0.00 0.00 19.45 16.60 1pdx n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pdx n SER 44 N -2.93 0.93 -3.69 0.00 2.88 -1.26 -5.06 113.62 104.49 1pdx n SER 44 Ca -0.18 -2.00 -0.16 0.00 -1.33 0.00 0.00 58.87 55.20 1pdx n SER 44 Cb 0.64 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 1pdx n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pdx n ALA 46 N -0.47 1.71 1.41 0.00 0.00 -1.26 -4.72 120.51 117.18 1pdx n ALA 46 Ca 0.05 -0.46 0.14 0.00 0.00 0.00 0.00 53.44 53.16 1pdx n ALA 46 Cb 0.64 -0.19 0.49 0.00 0.00 0.00 0.00 19.45 20.39 1pdx n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pdx n THR 47 N 0.00 0.00 -1.19 0.00 -2.24 -1.26 -3.77 114.28 105.82 1pdx n THR 47 Ca 0.00 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 1pdx n THR 47 Cb 0.58 0.36 0.18 0.00 -2.10 0.00 0.00 70.33 69.35 1pdx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pdx s HIS 49 N -3.25 2.60 0.09 0.00 5.65 -1.25 -3.69 115.29 115.44 1pdx s HIS 49 Ca 0.56 0.64 -0.02 0.00 0.25 0.00 0.00 55.06 56.49 1pdx s HIS 49 Cb 0.47 -3.73 0.01 0.00 -1.18 0.00 0.00 32.58 28.15 1pdx s HIS 49 CO 0.11 -2.82 0.16 1.33 -0.65 0.00 0.00 174.74 172.86 1pdx n VAL 50 N 4.96 0.00 -3.61 0.89 0.24 -1.25 -4.39 118.33 115.17 1pdx n VAL 50 Ca 0.14 -0.32 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 1pdx n VAL 50 Cb 0.43 0.25 -0.17 0.00 -1.47 0.00 0.00 33.84 32.88 1pdx n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1pdx s TYR 51 N -6.20 0.24 0.02 6.34 2.02 0.74 -2.30 117.35 118.21 1pdx s TYR 51 Ca 0.05 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 1pdx s TYR 51 Cb -0.01 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1pdx s TYR 51 CO 0.04 -0.54 1.10 0.08 -1.57 0.00 0.00 175.55 174.66 1pdx s VAL 52 N 2.12 4.43 0.41 0.71 1.01 -1.24 0.36 120.40 128.21 1pdx s VAL 52 Ca 0.03 1.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1pdx s VAL 52 Cb -0.16 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 1pdx s VAL 52 CO -0.11 0.12 0.29 -0.46 0.00 0.00 0.00 175.10 174.94 1pdx n ASN 53 N 4.06 -1.99 0.00 3.32 2.04 0.29 -4.62 115.26 118.37 1pdx n ASN 53 Ca 0.08 0.86 0.00 0.00 -0.44 0.00 0.00 54.58 55.08 1pdx n ASN 53 Cb 0.48 -0.98 0.00 0.00 -2.53 0.00 0.00 39.78 36.75 1pdx n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1pdx n GLU 54 N 0.99 0.00 -0.18 -3.83 0.28 -1.26 -1.60 120.64 115.04 1pdx n GLU 54 Ca 0.12 0.41 0.09 0.00 -0.16 0.00 0.00 57.16 57.61 1pdx n GLU 54 Cb 0.40 -1.57 0.25 0.00 1.43 0.00 0.00 31.44 31.95 1pdx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pdx n ALA 55 N -1.40 2.45 -1.05 -1.84 0.00 -1.26 -3.97 120.51 113.43 1pdx n ALA 55 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1pdx n ALA 55 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1pdx n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pdx n PHE 56 N 0.74 0.00 -0.00 0.00 3.01 -0.63 -4.61 117.46 115.97 1pdx n PHE 56 Ca 0.16 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.49 1pdx n PHE 56 Cb 0.39 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.72 1pdx n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1pdx h THR 57 N 1.74 0.84 -0.02 4.37 1.35 -1.67 -3.10 112.91 116.42 1pdx h THR 57 Ca 0.00 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1pdx h THR 57 Cb 0.69 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1pdx h THR 57 CO 0.00 0.64 -0.13 -0.67 -0.25 0.00 0.00 175.52 175.11 1pdx n ASP 58 N -3.21 2.16 -0.13 5.36 -0.08 -1.26 -4.28 116.55 115.11 1pdx n ASP 58 Ca -0.20 -1.58 -0.27 0.00 -1.51 0.00 0.00 54.79 51.23 1pdx n ASP 58 Cb 1.05 0.18 -0.11 0.00 2.34 0.00 0.00 41.12 44.58 1pdx n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pdx n LYS 59 N 0.57 0.60 -1.72 -0.67 5.02 -1.26 -4.94 118.16 115.76 1pdx n LYS 59 Ca 0.09 0.31 -0.30 0.00 -2.02 0.00 0.00 58.31 56.39 1pdx n LYS 59 Cb 0.40 -1.55 0.20 0.00 -0.02 0.00 0.00 35.03 34.06 1pdx n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pdx s VAL 60 N -2.48 1.90 -0.06 -0.18 1.01 -1.17 -4.94 120.40 114.47 1pdx s VAL 60 Ca -0.36 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1pdx s VAL 60 Cb 0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1pdx s VAL 60 CO 0.54 0.00 1.40 -2.16 0.00 0.00 0.00 175.10 174.87 1pdx s PRO 61 N -5.76 4.25 -1.26 2.72 0.04 -1.26 -4.85 135.00 128.88 1pdx s PRO 61 Ca 0.73 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 1pdx s PRO 61 Cb -0.05 -3.72 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 1pdx s PRO 61 CO 0.54 -0.66 2.02 0.00 0.04 0.00 0.00 177.00 178.93 1pdx n ALA 62 N 6.10 4.24 -0.94 8.56 0.00 -1.26 -4.71 120.51 132.50 1pdx n ALA 62 Ca 0.14 -3.68 -0.33 0.00 0.00 0.00 0.00 53.44 49.58 1pdx n ALA 62 Cb 0.44 -3.57 0.03 0.00 0.00 0.00 0.00 19.45 16.35 1pdx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pdx n ALA 63 N 7.78 -4.62 -1.94 0.00 0.00 -1.26 -4.96 120.51 115.51 1pdx n ALA 63 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pdx n ALA 63 Cb 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1pdx n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pdx n ASN 64 N 2.88 0.00 -0.61 0.00 0.23 -1.26 -4.71 115.26 111.79 1pdx n ASN 64 Ca 0.00 -0.87 0.46 0.00 -0.53 0.00 0.00 54.58 53.65 1pdx n ASN 64 Cb 0.48 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.89 1pdx n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1pdx n GLU 65 N -0.87 -0.00 0.21 -3.83 0.00 -1.26 -0.91 120.64 113.98 1pdx n GLU 65 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 57.16 58.00 1pdx n GLU 65 Cb 0.00 -2.19 -0.07 0.00 0.00 0.00 0.00 31.44 29.18 1pdx n GLU 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pdx h ARG 66 N 0.00 -0.66 -0.87 3.44 3.08 -1.98 2.96 114.38 120.35 1pdx h ARG 66 Ca 0.82 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.92 1pdx h ARG 66 Cb 3.26 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 33.42 1pdx h ARG 66 CO -0.04 -0.44 0.53 1.49 -1.07 0.00 0.00 179.97 180.44 1pdx h GLU 67 N -0.69 1.17 0.00 0.04 4.57 -1.34 -1.86 114.58 116.47 1pdx h GLU 67 Ca -0.05 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1pdx h GLU 67 Cb 0.59 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1pdx h GLU 67 CO -0.03 0.81 0.00 -0.89 -1.18 0.00 0.00 179.01 177.72 1pdx n ILE 68 N -4.43 0.01 0.00 2.32 5.41 -0.79 -2.77 119.36 119.11 1pdx n ILE 68 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1pdx n ILE 68 Cb 0.05 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1pdx n ILE 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pdx n GLY 69 N 1.23 0.35 0.32 7.39 0.00 0.99 -1.17 105.19 114.29 1pdx n GLY 69 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 1pdx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdx h MET 70 N 0.00 0.16 0.17 1.61 -0.00 -1.71 1.60 114.93 116.76 1pdx h MET 70 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.70 1pdx h MET 70 Cb 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.54 1pdx h MET 70 CO 0.00 0.10 -0.21 1.25 -0.00 0.00 0.00 176.91 178.05 1pdx h LEU 71 N 0.16 -0.58 -2.20 -0.10 7.12 -1.68 0.59 115.31 118.61 1pdx h LEU 71 Ca 0.64 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.77 1pdx h LEU 71 Cb 1.41 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.75 1pdx h LEU 71 CO -0.72 -0.31 0.24 -0.08 -0.13 0.00 0.00 178.44 177.45 1pdx h GLU 72 N -0.44 0.00 -0.03 1.25 4.81 0.34 -1.37 114.58 119.13 1pdx h GLU 72 Ca 0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1pdx h GLU 72 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1pdx h GLU 72 CO -0.08 0.00 -0.24 0.00 -0.73 0.00 0.00 179.01 177.96 1pdx n VAL 74 N -4.52 0.00 -1.36 0.00 0.24 0.61 -4.89 118.33 108.41 1pdx n VAL 74 Ca -0.09 -0.34 0.06 0.00 -2.04 0.00 0.00 64.34 61.94 1pdx n VAL 74 Cb 0.47 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 33.03 1pdx n VAL 74 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1pdx n THR 75 N -2.16 2.15 -1.54 3.34 -1.04 -1.25 -5.00 114.28 108.78 1pdx n THR 75 Ca -0.02 -2.76 0.00 0.00 -2.04 0.00 0.00 64.05 59.23 1pdx n THR 75 Cb 0.48 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1pdx n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pdx n ALA 76 N -1.19 0.00 -0.87 2.41 0.00 -1.20 -4.83 120.51 114.84 1pdx n ALA 76 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1pdx n ALA 76 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 1pdx n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pdx n GLU 77 N 0.00 1.90 -1.19 0.00 2.13 -1.26 -4.93 120.64 117.28 1pdx n GLU 77 Ca 0.00 -1.58 -0.34 0.00 0.66 0.00 0.00 57.16 55.90 1pdx n GLU 77 Cb 0.00 -2.60 0.11 0.00 0.27 0.00 0.00 31.44 29.22 1pdx n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pdx n LEU 78 N 5.22 3.48 -4.43 4.31 7.94 -1.26 -4.98 117.00 127.28 1pdx n LEU 78 Ca 0.46 0.60 -0.23 0.00 -1.11 0.00 0.00 56.01 55.72 1pdx n LEU 78 Cb 0.21 -1.43 -0.08 0.00 0.53 0.00 0.00 43.42 42.66 1pdx n LEU 78 CO 0.80 -2.07 -0.16 -0.54 -1.11 0.00 0.00 177.39 174.32 1pdx s LYS 79 N -3.68 1.88 0.22 1.96 -0.14 -1.26 -4.96 119.74 113.76 1pdx s LYS 79 Ca 0.72 -2.13 0.11 0.00 -1.36 0.00 0.00 55.97 53.31 1pdx s LYS 79 Cb -0.31 -0.23 0.09 0.00 -1.68 0.00 0.00 37.83 35.70 1pdx s LYS 79 CO 0.52 -0.56 1.45 -1.00 -0.76 0.00 0.00 175.35 175.00 1pdx h PRO 80 N 1.91 0.00 -0.50 -1.68 0.13 -1.99 -3.04 132.00 126.82 1pdx h PRO 80 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1pdx h PRO 80 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pdx h PRO 80 CO 0.48 0.72 0.00 0.27 -0.23 0.00 0.00 178.00 179.24 1pdx n ASN 81 N -3.44 4.14 -4.46 1.44 6.94 -1.26 -5.02 115.26 113.59 1pdx n ASN 81 Ca 0.00 -2.45 -0.41 0.00 -0.02 0.00 0.00 54.58 51.71 1pdx n ASN 81 Cb 0.77 -0.49 0.01 0.00 -2.36 0.00 0.00 39.78 37.71 1pdx n ASN 81 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1pdx n SER 82 N 0.66 -0.83 -3.48 0.53 7.64 -1.15 -3.59 113.62 113.39 1pdx n SER 82 Ca 0.21 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1pdx n SER 82 Cb 0.78 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 1pdx n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pdx s ARG 83 N -1.71 0.34 -0.40 1.43 1.81 -0.97 -4.81 118.95 114.63 1pdx s ARG 83 Ca 0.64 0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 55.13 1pdx s ARG 83 Cb -0.56 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.33 1pdx s ARG 83 CO 0.57 -0.10 1.08 -0.51 -0.68 0.00 0.00 175.30 175.66 1pdx s LEU 84 N 2.17 3.81 0.47 2.53 1.43 -1.26 -3.76 118.68 124.07 1pdx s LEU 84 Ca -0.05 0.68 0.14 0.00 -1.03 0.00 0.00 54.13 53.88 1pdx s LEU 84 Cb -0.06 -3.50 0.47 0.00 0.03 0.00 0.00 46.19 43.14 1pdx s LEU 84 CO -0.17 -1.06 0.91 0.00 0.23 0.00 0.00 176.35 176.26 1pdx n GLN 87 N -1.93 1.51 -3.69 0.00 -0.06 0.33 -4.91 117.38 108.63 1pdx n GLN 87 Ca 0.01 -2.35 -0.38 0.00 -2.00 0.00 0.00 57.00 52.27 1pdx n GLN 87 Cb 0.09 -1.39 -0.11 0.00 -4.06 0.00 0.00 30.24 24.78 1pdx n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1pdx s ILE 88 N -2.49 3.73 -0.11 1.69 -1.09 -0.81 -4.36 121.20 117.76 1pdx s ILE 88 Ca 0.26 -1.72 -0.26 0.00 -2.23 0.00 0.00 60.65 56.71 1pdx s ILE 88 Cb 0.23 -3.40 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1pdx s ILE 88 CO 0.02 -0.58 0.82 -0.63 -1.23 0.00 0.00 174.94 173.35 1pdx s ILE 89 N 1.29 4.93 -0.16 2.92 1.09 -1.26 -1.23 121.20 128.77 1pdx s ILE 89 Ca 0.05 1.65 -0.27 0.00 -1.10 0.00 0.00 60.65 60.98 1pdx s ILE 89 Cb -0.23 -4.14 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 1pdx s ILE 89 CO -0.01 0.11 0.91 -0.04 -0.10 0.00 0.00 174.94 175.81 1pdx s MET 90 N 1.57 4.32 0.23 2.79 -1.94 -0.03 -4.49 119.30 121.75 1pdx s MET 90 Ca 0.40 1.17 0.09 0.00 -1.71 0.00 0.00 55.69 55.65 1pdx s MET 90 Cb -0.18 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 1pdx s MET 90 CO 0.17 -0.38 -0.05 0.95 -0.01 0.00 0.00 175.02 175.70 1pdx s THR 91 N 2.29 3.29 0.56 2.05 -4.23 -1.26 -0.77 115.64 117.58 1pdx s THR 91 Ca 0.42 -1.81 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 1pdx s THR 91 Cb -0.17 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.31 1pdx s THR 91 CO 0.13 -0.25 2.13 1.55 -0.54 0.00 0.00 174.62 177.64 1pdx h PRO 92 N 2.38 0.00 -0.52 3.99 0.13 -1.87 0.32 132.00 136.43 1pdx h PRO 92 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1pdx h PRO 92 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1pdx h PRO 92 CO 0.58 0.00 0.14 1.05 -0.23 0.00 0.00 178.00 179.54 1pdx h GLU 93 N 0.00 0.83 -1.50 0.86 4.11 -2.00 -2.97 114.58 113.91 1pdx h GLU 93 Ca 0.07 -0.19 -0.28 0.00 0.07 0.00 0.00 59.36 59.02 1pdx h GLU 93 Cb 0.33 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 1pdx h GLU 93 CO -0.00 0.78 0.36 1.28 0.07 0.00 0.00 179.01 181.50 1pdx n LEU 94 N -4.45 6.14 -4.61 3.06 4.77 0.11 -4.93 117.00 117.11 1pdx n LEU 94 Ca 0.02 -3.11 -0.43 0.00 -0.03 0.00 0.00 56.01 52.46 1pdx n LEU 94 Cb 0.22 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1pdx n LEU 94 CO 0.40 1.15 1.65 1.51 -1.33 0.00 0.00 177.39 180.76 1pdx s ASP 95 N 0.33 5.80 0.00 -1.43 -4.77 -1.12 -3.01 116.67 112.47 1pdx s ASP 95 Ca 0.27 1.65 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 1pdx s ASP 95 Cb 0.22 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1pdx s ASP 95 CO 0.00 -1.72 0.00 0.61 0.70 0.00 0.00 175.17 174.76 1pdx n GLY 96 N 5.43 1.56 3.76 2.12 0.00 -0.08 -4.50 105.19 113.48 1pdx n GLY 96 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1pdx n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pdx s ILE 97 N -1.56 2.04 -0.25 -0.61 1.10 -0.49 -4.82 121.20 116.61 1pdx s ILE 97 Ca 0.00 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 1pdx s ILE 97 Cb 0.00 -3.02 0.04 0.00 0.15 0.00 0.00 42.46 39.63 1pdx s ILE 97 CO 0.00 0.01 -0.08 -0.69 -2.11 0.00 0.00 174.94 172.07 1pdx s VAL 98 N -0.43 2.58 0.18 4.00 1.01 -1.26 -0.73 120.40 125.76 1pdx s VAL 98 Ca 0.59 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1pdx s VAL 98 Cb -0.48 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1pdx s VAL 98 CO 0.54 0.11 0.28 -0.69 0.00 0.00 0.00 175.10 175.34 1pdx s VAL 99 N 1.24 5.14 -0.09 2.92 1.01 -0.41 0.11 120.40 130.31 1pdx s VAL 99 Ca -0.03 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1pdx s VAL 99 Cb -0.18 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1pdx s VAL 99 CO -0.05 -0.18 -0.21 -1.81 0.00 0.00 0.00 175.10 172.86 1pdx s ASP 100 N -3.46 2.72 -0.12 3.32 1.11 1.12 0.31 116.67 121.66 1pdx s ASP 100 Ca 0.34 -0.49 -0.04 0.00 0.18 0.00 0.00 52.55 52.54 1pdx s ASP 100 Cb -0.10 -1.24 -0.04 0.00 1.07 0.00 0.00 42.92 42.61 1pdx s ASP 100 CO 0.28 0.12 0.04 -0.69 1.18 0.00 0.00 175.17 176.10 1pdx s VAL 101 N 0.43 4.64 0.51 -1.27 1.01 -0.45 0.26 120.40 125.53 1pdx s VAL 101 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1pdx s VAL 101 Cb -0.17 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1pdx s VAL 101 CO 0.07 0.56 0.74 -2.16 0.00 0.00 0.00 175.10 174.31 1pdx s PRO 102 N -0.50 2.82 0.22 2.72 0.04 -1.26 -3.00 135.00 136.05 1pdx s PRO 102 Ca 0.10 -0.57 0.23 0.00 0.04 0.00 0.00 61.00 60.80 1pdx s PRO 102 Cb -0.12 -2.50 0.22 0.00 0.04 0.00 0.00 34.50 32.14 1pdx s PRO 102 CO 0.02 -0.50 1.29 0.22 0.04 0.00 0.00 177.00 178.06 1pdx h ASP 103 N 0.20 0.00 -2.81 6.66 3.58 -1.94 -3.37 116.42 118.74 1pdx h ASP 103 Ca -0.44 -0.07 -0.71 0.00 0.42 0.00 0.00 57.03 56.23 1pdx h ASP 103 Cb 1.27 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.98 1pdx h ASP 103 CO 0.55 0.03 0.09 -1.14 -2.88 0.00 0.00 179.24 175.89 1pdx n ARG 104 N -2.56 3.32 -2.53 0.28 3.00 -1.26 -4.90 116.66 112.01 1pdx n ARG 104 Ca 0.02 -4.57 -0.39 0.00 -0.00 0.00 0.00 57.85 52.90 1pdx n ARG 104 Cb 0.50 -2.40 0.02 0.00 0.00 0.00 0.00 32.46 30.58 1pdx n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pdx n GLN 105 N 1.47 4.71 0.00 -0.14 10.64 -1.26 -3.22 117.38 129.58 1pdx n GLN 105 Ca 0.26 -4.47 0.11 0.00 -1.83 0.00 0.00 57.00 51.07 1pdx n GLN 105 Cb 0.37 -2.41 0.66 0.00 -0.86 0.00 0.00 30.24 28.00 1pdx n GLN 105 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56