#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk2 n GLU 2 N 0.00 0.00 -0.22 4.33 2.13 -1.26 0.13 120.64 125.75 1pk2 n GLU 2 Ca 0.00 0.00 0.26 0.00 0.66 0.00 0.00 57.16 58.08 1pk2 n GLU 2 Cb 0.00 0.00 0.65 0.00 0.27 0.00 0.00 31.44 32.36 1pk2 n GLU 2 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1pk2 h GLY 3 N 0.00 0.36 -6.12 8.31 0.00 -2.11 -3.46 103.07 100.06 1pk2 h GLY 3 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 1pk2 h GLY 3 CO 0.00 -0.02 -0.67 -2.01 0.00 0.00 0.00 176.54 173.84 1pk2 n ASN 4 N -4.37 -6.03 -4.61 0.19 5.15 0.35 -4.80 115.26 101.15 1pk2 n ASN 4 Ca 0.20 -0.67 -0.43 0.00 -0.60 0.00 0.00 54.58 53.08 1pk2 n ASN 4 Cb 0.90 -3.43 -0.03 0.00 -0.53 0.00 0.00 39.78 36.70 1pk2 n ASN 4 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1pk2 s SER 5 N -3.13 5.76 -0.38 1.20 0.01 -1.26 -4.76 113.70 111.15 1pk2 s SER 5 Ca 0.14 1.84 -0.21 0.00 1.31 0.00 0.00 55.95 59.03 1pk2 s SER 5 Cb -0.05 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 1pk2 s SER 5 CO 0.84 -1.72 1.27 0.47 0.41 0.00 0.00 173.24 174.51 1pk2 n ASP 6 N 10.55 0.30 -2.38 2.44 9.92 -1.26 -4.86 116.55 131.26 1pk2 n ASP 6 Ca 0.26 0.25 -0.12 0.00 -0.53 0.00 0.00 54.79 54.66 1pk2 n ASP 6 Cb 0.45 -0.49 -0.05 0.00 -0.64 0.00 0.00 41.12 40.39 1pk2 n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pk2 s TYR 8 N -2.78 0.35 -0.10 0.00 1.13 -1.26 -4.91 117.35 109.77 1pk2 s TYR 8 Ca 0.23 -0.77 -0.00 0.00 -1.41 0.00 0.00 57.07 55.11 1pk2 s TYR 8 Cb 0.01 -0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.69 1pk2 s TYR 8 CO 0.16 -0.56 -0.08 -0.59 -2.51 0.00 0.00 175.55 171.97 1pk2 s PHE 9 N -3.92 2.90 0.00 -3.49 -0.71 -1.26 -3.48 117.98 108.03 1pk2 s PHE 9 Ca 0.11 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1pk2 s PHE 9 Cb 0.05 -1.80 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 1pk2 s PHE 9 CO -0.07 0.08 0.00 0.41 -1.34 0.00 0.00 175.22 174.31 1pk2 n GLY 10 N 2.91 0.36 0.23 1.99 0.00 -1.26 -0.54 105.19 108.88 1pk2 n GLY 10 Ca -0.18 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1pk2 n GLY 10 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pk2 n ASN 11 N 1.38 0.00 -3.98 1.61 0.23 -1.26 -4.70 115.26 108.55 1pk2 n ASN 11 Ca 0.00 -1.39 -0.27 0.00 -0.53 0.00 0.00 54.58 52.39 1pk2 n ASN 11 Cb 0.00 -0.08 -0.02 0.00 -2.08 0.00 0.00 39.78 37.60 1pk2 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pk2 n GLY 12 N 0.00 -0.27 0.05 4.83 0.00 0.30 -4.25 105.19 105.85 1pk2 n GLY 12 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1pk2 n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pk2 h SER 13 N -1.81 -0.09 -0.04 1.61 4.64 -1.90 -3.39 113.55 112.58 1pk2 h SER 13 Ca -0.62 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.58 1pk2 h SER 13 Cb 1.38 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1pk2 h SER 13 CO 0.64 -0.02 -0.46 0.00 -0.87 0.00 0.00 176.83 176.12 1pk2 h ALA 14 N -1.86 0.11 -2.73 5.18 0.00 -1.95 -3.46 119.26 114.55 1pk2 h ALA 14 Ca -0.01 -0.51 -0.55 0.00 0.00 0.00 0.00 54.91 53.84 1pk2 h ALA 14 Cb 0.08 0.01 0.18 0.00 0.00 0.00 0.00 17.79 18.06 1pk2 h ALA 14 CO 0.02 0.28 0.25 0.98 0.00 0.00 0.00 179.25 180.78 1pk2 n TYR 15 N -4.31 1.08 -3.62 0.00 9.36 -1.26 -4.97 117.16 113.44 1pk2 n TYR 15 Ca -0.09 0.40 -0.38 0.00 3.32 0.00 0.00 57.90 61.15 1pk2 n TYR 15 Cb 0.59 -2.12 -0.11 0.00 -0.63 0.00 0.00 39.34 37.07 1pk2 n TYR 15 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1pk2 s ARG 16 N -3.61 3.83 0.62 2.98 0.52 -1.26 -4.90 118.95 117.12 1pk2 s ARG 16 Ca 0.75 -0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 55.44 1pk2 s ARG 16 Cb -0.33 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 1pk2 s ARG 16 CO 0.49 -0.22 1.03 0.20 0.02 0.00 0.00 175.30 176.82 1pk2 s GLY 17 N 1.72 1.79 0.00 -3.53 0.00 -1.26 -4.99 107.32 101.05 1pk2 s GLY 17 Ca 0.07 0.06 0.13 0.00 0.00 0.00 0.00 44.72 44.97 1pk2 s GLY 17 CO 0.09 0.34 0.62 -1.30 0.00 0.00 0.00 173.10 172.86 1pk2 n THR 18 N -2.55 0.00 -2.81 0.90 -2.24 -1.26 -4.88 114.28 101.44 1pk2 n THR 18 Ca 0.07 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1pk2 n THR 18 Cb 0.54 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.76 1pk2 n THR 18 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pk2 s HIS 19 N -1.99 3.34 -0.29 4.78 5.65 -1.26 -4.93 115.29 120.59 1pk2 s HIS 19 Ca 0.07 1.63 0.19 0.00 0.25 0.00 0.00 55.06 57.20 1pk2 s HIS 19 Cb 0.10 -2.87 0.49 0.00 -1.18 0.00 0.00 32.58 29.12 1pk2 s HIS 19 CO 0.45 -0.10 1.06 -1.13 -0.65 0.00 0.00 174.74 174.37 1pk2 n SER 20 N -0.53 1.91 -3.52 9.88 3.41 -1.26 -0.80 113.62 122.71 1pk2 n SER 20 Ca 0.07 -2.44 -0.16 0.00 -0.26 0.00 0.00 58.87 56.07 1pk2 n SER 20 Cb 0.54 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1pk2 n SER 20 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pk2 s LEU 21 N -3.56 -0.53 0.34 1.04 0.20 -1.26 -3.78 118.68 111.13 1pk2 s LEU 21 Ca 0.30 0.51 -0.17 0.00 0.69 0.00 0.00 54.13 55.46 1pk2 s LEU 21 Cb 0.38 2.46 -0.09 0.00 -0.43 0.00 0.00 46.19 48.50 1pk2 s LEU 21 CO -0.01 -0.68 0.79 0.42 -0.29 0.00 0.00 176.35 176.58 1pk2 s THR 22 N -1.78 4.59 0.25 3.68 -4.23 -0.92 -0.98 115.64 116.24 1pk2 s THR 22 Ca -0.08 1.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 1pk2 s THR 22 Cb -0.00 -3.65 0.34 0.00 1.34 0.00 0.00 72.50 70.52 1pk2 s THR 22 CO 0.04 -0.16 1.26 -1.84 -0.54 0.00 0.00 174.62 173.38 1pk2 n GLU 23 N -0.28 -0.06 -0.28 3.99 0.28 0.98 -3.83 120.64 121.44 1pk2 n GLU 23 Ca 0.04 1.20 0.00 0.00 -0.16 0.00 0.00 57.16 58.24 1pk2 n GLU 23 Cb 0.53 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1pk2 n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1pk2 n SER 24 N -5.13 0.00 -0.09 -1.84 3.41 -1.26 -4.88 113.62 103.83 1pk2 n SER 24 Ca 0.19 -0.84 -0.18 0.00 -0.26 0.00 0.00 58.87 57.78 1pk2 n SER 24 Cb 0.63 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 1pk2 n SER 24 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pk2 h GLY 25 N 0.00 0.00 0.00 5.00 0.00 -1.93 -3.51 103.07 102.63 1pk2 h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pk2 h GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1pk2 n ALA 26 N -3.06 0.00 -1.57 3.60 0.00 -1.26 -4.83 120.51 113.40 1pk2 n ALA 26 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1pk2 n ALA 26 Cb 0.59 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.17 1pk2 n ALA 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pk2 s SER 27 N -4.00 3.66 -0.21 0.00 1.04 -1.26 -2.17 113.70 110.76 1pk2 s SER 27 Ca 0.00 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.23 1pk2 s SER 27 Cb 0.00 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 1pk2 s SER 27 CO 0.00 -2.46 0.44 0.00 0.98 0.00 0.00 173.24 172.20 1pk2 n LEU 29 N 4.71 3.71 -4.68 0.00 7.99 -1.17 -4.82 117.00 122.74 1pk2 n LEU 29 Ca -0.07 1.14 -0.50 0.00 -0.01 0.00 0.00 56.01 56.57 1pk2 n LEU 29 Cb 0.51 -1.51 -0.05 0.00 -0.11 0.00 0.00 43.42 42.26 1pk2 n LEU 29 CO 0.40 -0.16 1.37 -2.65 -1.51 0.00 0.00 177.39 174.85 1pk2 n PRO 30 N 2.26 1.94 -0.17 3.23 -0.02 -1.26 -4.79 135.00 136.19 1pk2 n PRO 30 Ca 0.11 0.71 -0.02 0.00 -2.02 0.00 0.00 63.50 62.28 1pk2 n PRO 30 Cb 0.34 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 1pk2 n PRO 30 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1pk2 h TRP 31 N 7.97 0.02 -0.04 6.00 -0.00 -1.69 0.47 115.95 128.69 1pk2 h TRP 31 Ca -0.47 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.45 1pk2 h TRP 31 Cb 1.28 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.51 1pk2 h TRP 31 CO 0.80 -0.10 0.00 0.27 -0.00 0.00 0.00 178.44 179.41 1pk2 n ASN 32 N -5.21 0.34 -4.67 -3.49 6.94 -1.26 -0.98 115.26 106.93 1pk2 n ASN 32 Ca 0.06 -2.01 -0.36 0.00 -0.02 0.00 0.00 54.58 52.25 1pk2 n ASN 32 Cb 0.28 -0.09 0.08 0.00 -2.36 0.00 0.00 39.78 37.69 1pk2 n ASN 32 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1pk2 n SER 33 N -0.33 1.21 0.07 0.53 2.88 0.17 -4.78 113.62 113.36 1pk2 n SER 33 Ca 0.01 0.74 -0.08 0.00 -1.33 0.00 0.00 58.87 58.21 1pk2 n SER 33 Cb 0.07 -1.48 0.06 0.00 -0.75 0.00 0.00 64.21 62.11 1pk2 n SER 33 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1pk2 h MET 34 N 0.07 0.30 0.00 -1.46 2.86 -1.90 -2.94 114.93 111.87 1pk2 h MET 34 Ca -0.49 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1pk2 h MET 34 Cb 1.34 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1pk2 h MET 34 CO 0.50 0.89 0.00 0.82 1.06 0.00 0.00 176.91 180.18 1pk2 h ILE 35 N 0.21 0.00 -0.62 -1.22 2.04 -1.93 -0.41 117.51 115.58 1pk2 h ILE 35 Ca -0.02 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1pk2 h ILE 35 Cb 1.27 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1pk2 h ILE 35 CO 0.11 0.00 0.08 0.18 0.00 0.00 0.00 178.15 178.53 1pk2 n LEU 36 N -2.49 5.78 -4.41 1.44 4.77 -1.11 -4.94 117.00 116.04 1pk2 n LEU 36 Ca -0.02 -2.96 -0.54 0.00 -0.03 0.00 0.00 56.01 52.47 1pk2 n LEU 36 Cb 0.06 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.36 1pk2 n LEU 36 CO 0.13 0.67 1.74 -0.38 -1.33 0.00 0.00 177.39 178.22 1pk2 n ILE 37 N 0.39 0.14 -3.73 -0.08 5.41 -0.17 -0.53 119.36 120.79 1pk2 n ILE 37 Ca 0.31 -0.16 -0.23 0.00 1.00 0.00 0.00 62.75 63.67 1pk2 n ILE 37 Cb 1.24 -1.26 0.02 0.00 -0.71 0.00 0.00 39.64 38.94 1pk2 n ILE 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pk2 n GLY 38 N 6.63 -0.37 3.67 7.39 0.00 -1.26 -4.98 105.19 116.27 1pk2 n GLY 38 Ca 0.44 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.36 1pk2 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pk2 s LYS 39 N -6.04 2.06 0.00 1.61 2.20 0.31 -5.06 119.74 114.83 1pk2 s LYS 39 Ca 0.06 -2.06 0.00 0.00 -0.36 0.00 0.00 55.97 53.61 1pk2 s LYS 39 Cb -0.02 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1pk2 s LYS 39 CO 0.83 -0.11 0.01 0.28 -0.36 0.00 0.00 175.35 176.00 1pk2 n VAL 40 N -1.09 0.00 -4.22 4.02 0.31 -1.26 -4.22 118.33 111.87 1pk2 n VAL 40 Ca -0.05 0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.04 1pk2 n VAL 40 Cb 0.66 -0.02 -0.17 0.00 -0.91 0.00 0.00 33.84 33.40 1pk2 n VAL 40 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pk2 s TYR 41 N -1.07 1.41 0.28 3.52 2.02 -1.26 -5.08 117.35 117.18 1pk2 s TYR 41 Ca 0.00 -0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 1pk2 s TYR 41 Cb 0.00 -1.11 0.03 0.00 -0.40 0.00 0.00 41.96 40.48 1pk2 s TYR 41 CO 0.00 -0.38 0.77 0.95 -1.57 0.00 0.00 175.55 175.31 1pk2 s THR 42 N 1.19 0.00 -0.63 -0.71 -4.23 -1.26 -4.89 115.64 105.11 1pk2 s THR 42 Ca -0.05 -0.95 0.24 0.00 -1.18 0.00 0.00 61.69 59.75 1pk2 s THR 42 Cb -0.14 -2.16 0.06 0.00 1.34 0.00 0.00 72.50 71.60 1pk2 s THR 42 CO -0.02 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 175.39 1pk2 h ALA 43 N 2.00 0.60 -0.14 3.99 0.00 -1.31 -3.21 119.26 121.19 1pk2 h ALA 43 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pk2 h ALA 43 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pk2 h ALA 43 CO 0.26 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.55 1pk2 n GLN 44 N -2.15 2.15 -2.61 0.00 6.02 -1.25 -4.76 117.38 114.78 1pk2 n GLN 44 Ca 0.03 -1.70 -0.40 0.00 -0.01 0.00 0.00 57.00 54.92 1pk2 n GLN 44 Cb 0.44 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 1pk2 n GLN 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1pk2 s ASN 45 N -1.81 7.44 0.66 1.08 3.84 -1.21 -4.68 114.94 120.26 1pk2 s ASN 45 Ca 0.33 2.09 0.33 0.00 0.21 0.00 0.00 52.86 55.82 1pk2 s ASN 45 Cb 0.21 -2.61 1.80 0.00 -0.55 0.00 0.00 41.25 40.09 1pk2 s ASN 45 CO 0.31 -0.02 2.02 -0.65 -2.79 0.00 0.00 177.10 175.96 1pk2 h PRO 46 N 4.22 0.00 -0.51 0.43 0.11 -1.91 0.42 132.00 134.77 1pk2 h PRO 46 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pk2 h PRO 46 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pk2 h PRO 46 CO 0.68 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.90 1pk2 n SER 47 N -2.99 4.52 -0.26 -2.05 7.64 -1.26 -4.67 113.62 114.55 1pk2 n SER 47 Ca -0.02 -2.62 0.20 0.00 1.01 0.00 0.00 58.87 57.44 1pk2 n SER 47 Cb 0.32 -0.55 0.37 0.00 -1.01 0.00 0.00 64.21 63.35 1pk2 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pk2 n ALA 48 N 0.57 0.65 0.39 -0.43 0.00 0.15 0.50 120.51 122.33 1pk2 n ALA 48 Ca 0.23 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.29 1pk2 n ALA 48 Cb 0.89 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1pk2 n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1pk2 h GLN 49 N 0.00 -1.08 -0.41 0.00 4.20 -1.84 -0.67 115.11 115.31 1pk2 h GLN 49 Ca 0.59 0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.36 1pk2 h GLN 49 Cb 1.46 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1pk2 h GLN 49 CO -0.65 -0.72 0.21 0.00 -0.67 0.00 0.00 178.83 177.00 1pk2 h ALA 50 N -0.99 1.60 -0.40 3.87 0.00 -0.32 -0.60 119.26 122.42 1pk2 h ALA 50 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1pk2 h ALA 50 Cb 0.91 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pk2 h ALA 50 CO 0.07 0.33 0.27 -0.07 0.00 0.00 0.00 179.25 179.85 1pk2 h LEU 51 N 0.57 0.36 0.00 0.00 3.38 -0.03 -3.46 115.31 116.13 1pk2 h LEU 51 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pk2 h LEU 51 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pk2 h LEU 51 CO -0.02 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1pk2 n GLY 52 N -1.50 0.49 0.00 0.83 0.00 -0.23 -3.98 105.19 100.80 1pk2 n GLY 52 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1pk2 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pk2 n LEU 53 N 0.00 0.00 0.00 0.99 4.32 -1.17 -4.95 117.00 116.19 1pk2 n LEU 53 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.01 1pk2 n LEU 53 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pk2 n LEU 53 CO 0.00 -0.17 0.59 0.61 -1.22 0.00 0.00 177.39 177.20 1pk2 n GLY 54 N 5.00 0.24 3.16 -0.72 0.00 -1.26 -4.88 105.19 106.72 1pk2 n GLY 54 Ca 0.00 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1pk2 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pk2 n LYS 55 N -0.49 1.89 -1.32 1.61 4.81 -1.26 -4.36 118.16 119.04 1pk2 n LYS 55 Ca 0.03 -2.20 0.00 0.00 -0.87 0.00 0.00 58.31 55.27 1pk2 n LYS 55 Cb 0.28 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.16 1pk2 n LYS 55 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1pk2 n HIS 56 N 8.59 -0.66 -0.86 5.64 1.44 -1.26 -5.03 115.22 123.08 1pk2 n HIS 56 Ca 0.49 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.28 1pk2 n HIS 56 Cb 0.42 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.63 1pk2 n HIS 56 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1pk2 n ASN 57 N -0.66 2.22 -4.70 4.39 6.94 -1.26 -2.09 115.26 120.10 1pk2 n ASN 57 Ca 0.00 -2.83 -0.32 0.00 -0.02 0.00 0.00 54.58 51.41 1pk2 n ASN 57 Cb 0.00 -0.33 0.14 0.00 -2.36 0.00 0.00 39.78 37.23 1pk2 n ASN 57 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1pk2 s TYR 58 N -2.42 1.88 0.13 -2.53 2.02 -1.26 -4.62 117.35 110.55 1pk2 s TYR 58 Ca 0.25 1.72 -0.14 0.00 -0.37 0.00 0.00 57.07 58.52 1pk2 s TYR 58 Cb 0.21 -3.31 -0.07 0.00 -0.40 0.00 0.00 41.96 38.40 1pk2 s TYR 58 CO 0.02 -2.58 0.52 0.00 -1.57 0.00 0.00 175.55 171.95 1pk2 s ARG 60 N -1.85 1.55 -0.59 0.00 1.81 0.14 -4.70 118.95 115.30 1pk2 s ARG 60 Ca 0.36 -1.64 0.05 0.00 -1.72 0.00 0.00 55.73 52.78 1pk2 s ARG 60 Cb -0.15 0.37 0.34 0.00 -0.45 0.00 0.00 34.95 35.05 1pk2 s ARG 60 CO 0.19 -0.59 0.95 0.09 -0.68 0.00 0.00 175.30 175.26 1pk2 n ASN 61 N -0.79 4.51 -0.02 0.23 3.02 -1.26 -0.81 115.26 120.13 1pk2 n ASN 61 Ca 0.02 -3.68 0.21 0.00 -0.03 0.00 0.00 54.58 51.10 1pk2 n ASN 61 Cb 0.63 -0.57 0.70 0.00 -0.61 0.00 0.00 39.78 39.93 1pk2 n ASN 61 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1pk2 h PRO 62 N 3.02 0.00 0.00 3.52 0.11 -1.89 0.29 132.00 137.05 1pk2 h PRO 62 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1pk2 h PRO 62 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1pk2 h PRO 62 CO 0.82 0.00 -0.63 -0.25 -0.21 0.00 0.00 178.00 177.73 1pk2 n ASP 63 N -4.35 0.61 -0.05 -2.05 9.92 -1.26 -4.91 116.55 114.46 1pk2 n ASP 63 Ca 0.11 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1pk2 n ASP 63 Cb 0.65 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 41.41 1pk2 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pk2 n GLY 64 N 1.40 1.05 0.00 0.44 0.00 0.10 -5.07 105.19 103.11 1pk2 n GLY 64 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1pk2 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pk2 n ASP 65 N 1.09 -0.75 0.00 1.61 9.92 -1.26 -5.04 116.55 122.12 1pk2 n ASP 65 Ca 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.84 1pk2 n ASP 65 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1pk2 n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pk2 n ALA 66 N -3.00 0.00 -2.07 2.24 0.00 -1.26 -4.77 120.51 111.65 1pk2 n ALA 66 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1pk2 n ALA 66 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pk2 n ALA 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pk2 s LYS 67 N 0.00 4.47 -0.34 0.00 0.00 -1.26 -4.25 119.74 118.35 1pk2 s LYS 67 Ca 0.00 1.04 -0.42 0.00 0.00 0.00 0.00 55.97 56.59 1pk2 s LYS 67 Cb 0.00 -3.26 -0.17 0.00 0.00 0.00 0.00 37.83 34.40 1pk2 s LYS 67 CO 0.00 0.58 1.68 -2.30 0.00 0.00 0.00 175.35 175.31 1pk2 n PRO 68 N 1.66 0.76 -0.67 1.78 -0.02 -1.26 -4.33 135.00 132.92 1pk2 n PRO 68 Ca -0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1pk2 n PRO 68 Cb 0.49 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1pk2 n PRO 68 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1pk2 n TRP 69 N 4.80 -1.37 -3.54 6.00 4.27 0.01 -2.05 117.44 125.57 1pk2 n TRP 69 Ca 0.28 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.82 1pk2 n TRP 69 Cb 0.07 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.00 1pk2 n TRP 69 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pk2 s HIS 71 N -2.90 2.32 -0.04 0.00 3.76 -1.26 -1.63 115.29 115.54 1pk2 s HIS 71 Ca 0.07 1.61 -0.12 0.00 -0.15 0.00 0.00 55.06 56.46 1pk2 s HIS 71 Cb -0.01 -3.22 0.02 0.00 1.11 0.00 0.00 32.58 30.48 1pk2 s HIS 71 CO -0.07 -2.10 0.28 0.14 -0.85 0.00 0.00 174.74 172.14 1pk2 s VAL 72 N -2.51 0.05 -0.26 -0.90 -7.23 0.06 -3.04 120.40 106.58 1pk2 s VAL 72 Ca 0.66 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1pk2 s VAL 72 Cb -0.21 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1pk2 s VAL 72 CO 0.50 -0.22 0.22 -0.22 -0.31 0.00 0.00 175.10 175.07 1pk2 s LEU 73 N -0.97 4.07 0.00 1.32 2.96 -1.26 -0.01 118.68 124.79 1pk2 s LEU 73 Ca -0.10 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1pk2 s LEU 73 Cb -0.05 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1pk2 s LEU 73 CO 0.03 -0.03 0.11 1.17 -1.32 0.00 0.00 176.35 176.31 1pk2 n LYS 74 N 4.76 1.23 -1.54 1.98 4.81 0.18 -4.91 118.16 124.68 1pk2 n LYS 74 Ca -0.13 -0.79 -0.26 0.00 -0.87 0.00 0.00 58.31 56.25 1pk2 n LYS 74 Cb 0.52 0.06 -0.10 0.00 0.02 0.00 0.00 35.03 35.53 1pk2 n LYS 74 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pk2 n ASN 75 N -2.14 1.11 -1.00 3.14 4.13 -1.26 -2.11 115.26 117.13 1pk2 n ASN 75 Ca 0.00 -0.76 -0.11 0.00 1.68 0.00 0.00 54.58 55.40 1pk2 n ASN 75 Cb 0.15 -1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.03 1pk2 n ASN 75 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pk2 n ARG 76 N 8.21 -1.55 -4.06 3.52 0.63 -1.26 -4.91 116.66 117.24 1pk2 n ARG 76 Ca 0.51 0.76 -0.10 0.00 -0.92 0.00 0.00 57.85 58.10 1pk2 n ARG 76 Cb 0.35 -4.96 -0.11 0.00 0.45 0.00 0.00 32.46 28.19 1pk2 n ARG 76 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1pk2 s ARG 77 N -2.76 0.52 0.37 -0.14 3.52 -0.90 -5.16 118.95 114.40 1pk2 s ARG 77 Ca 0.00 -0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1pk2 s ARG 77 Cb 0.00 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 1pk2 s ARG 77 CO 0.00 -0.03 0.63 -1.17 -0.81 0.00 0.00 175.30 173.92 1pk2 s LEU 78 N -2.06 3.91 0.00 -0.88 2.96 -1.26 0.50 118.68 121.85 1pk2 s LEU 78 Ca -0.05 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1pk2 s LEU 78 Cb -0.04 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1pk2 s LEU 78 CO -0.03 -0.35 0.00 0.35 -1.32 0.00 0.00 176.35 175.00 1pk2 n THR 79 N -1.61 0.00 -3.59 3.68 -2.24 0.99 -4.77 114.28 106.74 1pk2 n THR 79 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1pk2 n THR 79 Cb 0.55 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1pk2 n THR 79 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1pk2 s TRP 80 N -5.94 -0.28 0.23 4.78 1.48 -1.26 -0.76 118.94 117.19 1pk2 s TRP 80 Ca 0.00 0.54 0.02 0.00 -1.06 0.00 0.00 56.10 55.60 1pk2 s TRP 80 Cb 0.00 0.17 -0.05 0.00 -1.16 0.00 0.00 33.47 32.43 1pk2 s TRP 80 CO 0.00 -0.14 0.05 -1.21 -4.06 0.00 0.00 176.95 171.60 1pk2 s GLU 81 N 1.34 1.31 0.30 3.25 8.01 -0.65 -4.91 118.70 127.35 1pk2 s GLU 81 Ca -0.07 -1.68 -0.30 0.00 0.01 0.00 0.00 54.97 52.93 1pk2 s GLU 81 Cb -0.03 -0.32 -0.12 0.00 -4.31 0.00 0.00 34.13 29.35 1pk2 s GLU 81 CO -0.13 -0.22 1.45 0.66 0.01 0.00 0.00 175.26 177.04 1pk2 n TYR 82 N -0.39 2.51 -1.94 1.61 4.01 -1.26 -2.05 117.16 119.64 1pk2 n TYR 82 Ca -0.03 0.41 -0.32 0.00 -0.16 0.00 0.00 57.90 57.80 1pk2 n TYR 82 Cb 0.65 -2.50 0.02 0.00 -0.31 0.00 0.00 39.34 37.19 1pk2 n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pk2 n ASP 84 N -2.35 4.63 -4.44 0.00 -0.08 -0.16 -4.40 116.55 109.76 1pk2 n ASP 84 Ca 0.08 -2.74 -0.44 0.00 -1.51 0.00 0.00 54.79 50.18 1pk2 n ASP 84 Cb 0.53 -1.53 -0.07 0.00 2.34 0.00 0.00 41.12 42.39 1pk2 n ASP 84 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1pk2 s VAL 85 N 3.29 5.05 -0.38 5.18 1.01 -1.26 -4.97 120.40 128.32 1pk2 s VAL 85 Ca 0.52 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1pk2 s VAL 85 Cb 0.15 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1pk2 s VAL 85 CO -0.05 -0.63 2.32 -2.65 0.00 0.00 0.00 175.10 174.08 1pk2 n PRO 86 N 5.70 1.38 -0.87 2.72 -0.02 -1.21 -4.82 135.00 137.88 1pk2 n PRO 86 Ca -0.09 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.34 1pk2 n PRO 86 Cb 0.45 -3.10 0.14 0.00 -0.02 0.00 0.00 33.50 30.98 1pk2 n PRO 86 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pk2 n SER 87 N 12.89 0.11 0.10 2.55 2.88 -1.26 -3.62 113.62 127.27 1pk2 n SER 87 Ca 0.36 0.47 0.01 0.00 -1.33 0.00 0.00 58.87 58.38 1pk2 n SER 87 Cb 0.43 -1.43 -0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1pk2 n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pk2 n SER 89 N -3.12 0.00 0.00 0.00 7.64 -1.26 -5.09 113.62 111.78 1pk2 n SER 89 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1pk2 n SER 89 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1pk2 n SER 89 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44