#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk2 s ASN 9 N 0.00 0.05 0.15 1.20 -0.87 -1.26 -5.06 114.94 109.15 2pk2 s ASN 9 Ca 0.00 0.01 0.07 0.00 -1.57 0.00 0.00 52.86 51.37 2pk2 s ASN 9 Cb 0.00 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.25 41.12 2pk2 s ASN 9 CO 0.00 -0.04 1.35 0.50 -2.57 0.00 0.00 177.10 176.34 2pk2 h LYS 10 N 6.56 0.03 0.00 -0.60 3.64 -2.03 -3.27 116.57 120.89 2pk2 h LYS 10 Ca -0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2pk2 h LYS 10 Cb 1.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2pk2 h LYS 10 CO 0.50 0.92 0.00 0.54 -2.27 0.00 0.00 179.45 179.14 2pk2 n ARG 11 N -3.48 0.35 -0.35 1.90 1.74 -1.26 -2.24 116.66 113.33 2pk2 n ARG 11 Ca -0.01 0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.23 2pk2 n ARG 11 Cb 0.86 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.98 2pk2 n ARG 11 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2pk2 n TRP 12 N -1.16 0.00 -3.98 -1.55 7.02 -1.23 -4.90 117.44 111.64 2pk2 n TRP 12 Ca 0.10 -1.24 -0.29 0.00 -1.02 0.00 0.00 57.50 55.04 2pk2 n TRP 12 Cb 0.10 -0.20 -0.16 0.00 -2.42 0.00 0.00 31.31 28.62 2pk2 n TRP 12 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2pk2 s TYR 13 N -3.03 2.03 -0.00 -5.99 2.02 -0.95 -4.51 117.35 106.92 2pk2 s TYR 13 Ca 0.35 -1.16 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 2pk2 s TYR 13 Cb 0.32 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2pk2 s TYR 13 CO -0.02 -0.64 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.20 2pk2 s PHE 14 N 1.53 0.49 0.00 2.71 0.08 -1.24 -5.01 117.98 116.53 2pk2 s PHE 14 Ca 0.04 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2pk2 s PHE 14 Cb -0.13 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2pk2 s PHE 14 CO -0.10 -0.01 0.00 0.25 -0.10 0.00 0.00 175.22 175.26 2pk2 n THR 15 N 2.86 0.00 -2.41 0.64 -2.24 -1.26 -4.54 114.28 107.33 2pk2 n THR 15 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2pk2 n THR 15 Cb 0.58 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 2pk2 n THR 15 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pk2 n ARG 16 N -1.27 2.99 -0.75 -0.78 3.00 -1.26 -0.92 116.66 117.68 2pk2 n ARG 16 Ca 0.00 -3.10 0.00 0.00 -0.01 0.00 0.00 57.85 54.74 2pk2 n ARG 16 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 32.46 28.98 2pk2 n ARG 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2pk2 n GLU 17 N 8.08 -0.91 -0.01 5.56 1.02 -1.26 -4.34 120.64 128.78 2pk2 n GLU 17 Ca 0.49 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.73 2pk2 n GLU 17 Cb 0.45 -4.66 -0.09 0.00 -0.02 0.00 0.00 31.44 27.12 2pk2 n GLU 17 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2pk2 h GLN 18 N 0.08 0.03 -5.68 3.49 -0.00 -1.27 -3.42 115.11 108.35 2pk2 h GLN 18 Ca 0.00 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.65 58.29 2pk2 h GLN 18 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2pk2 h GLN 18 CO 0.00 0.43 1.08 -0.51 0.00 0.00 0.00 178.83 179.83 2pk2 s LEU 19 N -9.37 3.22 -0.13 -2.39 1.43 -1.26 -4.96 118.68 105.22 2pk2 s LEU 19 Ca -0.15 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2pk2 s LEU 19 Cb 0.03 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.62 2pk2 s LEU 19 CO 0.68 -2.94 -0.11 -0.62 0.23 0.00 0.00 176.35 173.59 2pk2 n GLU 20 N 9.00 0.50 -2.66 1.70 1.02 -1.26 -4.74 120.64 124.20 2pk2 n GLU 20 Ca 0.35 0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 57.37 2pk2 n GLU 20 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2pk2 n GLU 20 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2pk2 n ASN 21 N -2.86 3.12 -4.73 1.62 2.85 -1.26 -4.90 115.26 109.10 2pk2 n ASN 21 Ca -0.24 -3.28 -0.30 0.00 -0.11 0.00 0.00 54.58 50.66 2pk2 n ASN 21 Cb 0.77 -0.51 0.13 0.00 1.24 0.00 0.00 39.78 41.41 2pk2 n ASN 21 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2pk2 s SER 22 N -3.28 3.59 0.55 1.20 0.01 -1.26 -4.78 113.70 109.72 2pk2 s SER 22 Ca 0.40 1.43 0.25 0.00 1.31 0.00 0.00 55.95 59.34 2pk2 s SER 22 Cb 0.41 -2.11 1.45 0.00 0.21 0.00 0.00 66.02 65.97 2pk2 s SER 22 CO -0.09 -2.56 2.03 -0.65 0.41 0.00 0.00 173.24 172.38 2pk2 h PRO 23 N -1.49 0.00 0.00 12.44 0.11 -1.85 0.60 132.00 141.81 2pk2 h PRO 23 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pk2 h PRO 23 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2pk2 h PRO 23 CO 0.56 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.12 2pk2 h SER 24 N 0.00 0.00 0.06 -2.05 0.02 -1.84 -2.82 113.55 106.92 2pk2 h SER 24 Ca 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2pk2 h SER 24 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2pk2 h SER 24 CO -0.00 0.00 -0.03 0.03 -1.14 0.00 0.00 176.83 175.69 2pk2 h ARG 25 N 0.00 -0.07 -1.08 3.45 -0.00 -0.08 -3.35 114.38 113.25 2pk2 h ARG 25 Ca 0.00 0.01 0.31 0.00 -0.50 0.00 0.00 59.98 59.80 2pk2 h ARG 25 Cb 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.28 2pk2 h ARG 25 CO 0.00 0.50 0.90 0.00 0.00 0.00 0.00 179.97 181.36 2pk2 h ARG 26 N -0.73 0.00 0.02 0.04 3.08 -1.38 -2.74 114.38 112.68 2pk2 h ARG 26 Ca -0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 2pk2 h ARG 26 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2pk2 h ARG 26 CO 0.01 0.00 -1.48 1.19 -1.07 0.00 0.00 179.97 178.63 2pk2 n PHE 27 N -3.88 0.99 0.00 3.04 3.72 -1.25 -5.01 117.46 115.07 2pk2 n PHE 27 Ca 0.23 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 58.01 2pk2 n PHE 27 Cb 1.25 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2pk2 n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pk2 n GLY 28 N 1.52 -0.37 2.88 1.37 0.00 -1.03 -5.16 105.19 104.40 2pk2 n GLY 28 Ca -0.34 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2pk2 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pk2 s VAL 29 N 0.00 0.61 0.36 1.61 1.01 -1.26 -5.12 120.40 117.62 2pk2 s VAL 29 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2pk2 s VAL 29 Cb 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 36.38 35.61 2pk2 s VAL 29 CO 0.00 0.26 1.25 0.47 0.00 0.00 0.00 175.10 177.08 2pk2 n ASP 30 N 4.39 2.53 -0.34 3.32 8.00 -1.26 -4.74 116.55 128.45 2pk2 n ASP 30 Ca -0.19 1.17 0.13 0.00 0.71 0.00 0.00 54.79 56.61 2pk2 n ASP 30 Cb 0.51 -1.47 0.33 0.00 -0.02 0.00 0.00 41.12 40.47 2pk2 n ASP 30 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2pk2 h PRO 31 N 2.34 0.73 -0.08 -0.24 0.13 -1.97 0.10 132.00 133.02 2pk2 h PRO 31 Ca -0.46 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2pk2 h PRO 31 Cb 1.29 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2pk2 h PRO 31 CO 0.61 0.48 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.94 2pk2 h ASP 32 N 0.75 0.21 0.58 1.44 3.32 -1.97 -1.54 116.42 119.22 2pk2 h ASP 32 Ca 0.56 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.48 2pk2 h ASP 32 Cb 0.89 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2pk2 h ASP 32 CO -0.35 0.67 -0.28 0.50 -1.72 0.00 0.00 179.24 178.07 2pk2 h LYS 33 N 0.16 -0.74 -0.52 3.56 3.11 -1.17 0.69 116.57 121.65 2pk2 h LYS 33 Ca 0.01 0.05 0.09 0.00 -2.81 0.00 0.00 60.65 57.99 2pk2 h LYS 33 Cb 0.92 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.29 2pk2 h LYS 33 CO 0.07 -0.43 0.36 1.49 -2.81 0.00 0.00 179.45 178.12 2pk2 h GLU 34 N -1.04 0.30 0.00 1.90 4.81 -1.37 1.69 114.58 120.87 2pk2 h GLU 34 Ca -0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2pk2 h GLU 34 Cb 0.65 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2pk2 h GLU 34 CO 0.13 0.20 -0.30 1.25 -0.73 0.00 0.00 179.01 179.56 2pk2 h LEU 35 N 0.31 0.00 0.20 1.64 5.85 -1.00 -1.14 115.31 121.18 2pk2 h LEU 35 Ca 0.24 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.69 2pk2 h LEU 35 Cb 0.54 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.60 2pk2 h LEU 35 CO -0.06 0.30 -1.19 -1.28 -0.34 0.00 0.00 178.44 175.87 2pk2 h SER 36 N 0.00 0.69 -0.05 1.25 0.87 0.74 -3.29 113.55 113.75 2pk2 h SER 36 Ca -0.00 -0.93 0.04 0.00 -1.23 0.00 0.00 61.79 59.66 2pk2 h SER 36 Cb 0.61 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 2pk2 h SER 36 CO 0.04 1.57 -0.24 1.88 -0.53 0.00 0.00 176.83 179.56 2pk2 h TYR 37 N -0.07 -0.63 0.00 2.24 0.05 0.23 0.12 116.97 118.91 2pk2 h TYR 37 Ca -0.21 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2pk2 h TYR 37 Cb 1.94 0.29 0.00 0.00 1.01 0.00 0.00 36.73 39.97 2pk2 h TYR 37 CO 0.16 -0.32 0.00 0.54 -1.05 0.00 0.00 178.16 177.49 2pk2 n ARG 38 N -5.36 0.00 -0.31 4.88 1.74 -0.46 0.50 116.66 117.65 2pk2 n ARG 38 Ca -0.04 0.37 0.16 0.00 -0.77 0.00 0.00 57.85 57.56 2pk2 n ARG 38 Cb 0.28 -1.16 0.33 0.00 -1.02 0.00 0.00 32.46 30.89 2pk2 n ARG 38 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2pk2 h GLN 39 N 0.00 0.15 -0.33 5.56 4.20 -1.58 0.61 115.11 123.72 2pk2 h GLN 39 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2pk2 h GLN 39 Cb 0.00 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2pk2 h GLN 39 CO 0.00 0.10 0.18 1.96 -0.67 0.00 0.00 178.83 180.40 2pk2 h GLN 40 N 0.15 0.45 -0.37 1.46 4.20 -0.66 -2.46 115.11 117.88 2pk2 h GLN 40 Ca 0.60 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.37 2pk2 h GLN 40 Cb 1.27 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2pk2 h GLN 40 CO -0.72 0.37 0.32 0.00 -0.67 0.00 0.00 178.83 178.14 2pk2 h ALA 41 N 1.06 2.18 0.00 3.87 0.00 0.55 0.73 119.26 127.64 2pk2 h ALA 41 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2pk2 h ALA 41 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pk2 h ALA 41 CO -0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 179.25 178.39 2pk2 h ALA 42 N 1.70 1.03 0.00 0.00 0.00 -0.85 -3.03 119.26 118.11 2pk2 h ALA 42 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2pk2 h ALA 42 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2pk2 h ALA 42 CO -0.00 0.41 -0.42 -0.97 0.00 0.00 0.00 179.25 178.27 2pk2 h ASN 43 N 0.00 0.00 -0.55 0.00 -0.73 0.50 1.48 115.58 116.28 2pk2 h ASN 43 Ca -0.00 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.90 2pk2 h ASN 43 Cb 0.83 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.26 2pk2 h ASN 43 CO 0.04 0.42 0.34 -0.11 -0.37 0.00 0.00 177.43 177.75 2pk2 n LEU 44 N -3.70 5.01 0.00 0.34 7.94 -1.14 -2.82 117.00 122.62 2pk2 n LEU 44 Ca -0.01 -2.63 0.00 0.00 -1.11 0.00 0.00 56.01 52.26 2pk2 n LEU 44 Cb 0.50 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2pk2 n LEU 44 CO 0.38 0.78 0.00 -0.11 -1.11 0.00 0.00 177.39 177.33 2pk2 n LEU 45 N -0.36 0.00 -0.04 -1.96 0.00 -0.68 -4.60 117.00 109.35 2pk2 n LEU 45 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 56.20 2pk2 n LEU 45 Cb 1.14 0.11 -0.11 0.00 0.00 0.00 0.00 43.42 44.56 2pk2 n LEU 45 CO 0.33 -0.19 0.51 -0.61 0.00 0.00 0.00 177.39 177.43 2pk2 h GLN 46 N 0.00 -0.01 -0.01 1.96 5.75 0.19 -1.83 115.11 121.16 2pk2 h GLN 46 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2pk2 h GLN 46 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2pk2 h GLN 46 CO 0.00 0.71 -0.12 -0.25 -2.65 0.00 0.00 178.83 176.52 2pk2 n ASP 47 N -4.75 0.84 -0.11 -0.69 9.92 -1.13 -2.58 116.55 118.06 2pk2 n ASP 47 Ca -0.09 -0.92 -0.25 0.00 -0.53 0.00 0.00 54.79 53.00 2pk2 n ASP 47 Cb 0.35 0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.74 2pk2 n ASP 47 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2pk2 n MET 48 N -0.60 0.59 0.11 -1.24 1.56 -1.24 -4.08 117.12 112.22 2pk2 n MET 48 Ca 0.16 0.41 0.11 0.00 -0.27 0.00 0.00 57.70 58.10 2pk2 n MET 48 Cb 0.30 -1.63 0.46 0.00 2.15 0.00 0.00 33.22 34.50 2pk2 n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2pk2 n GLY 49 N 1.44 -1.19 0.21 -5.12 0.00 -0.69 -1.75 105.19 98.09 2pk2 n GLY 49 Ca -0.42 0.07 0.15 0.00 0.00 0.00 0.00 46.02 45.82 2pk2 n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pk2 h GLN 50 N 0.00 0.00 0.05 1.61 4.20 -1.64 -2.73 115.11 116.60 2pk2 h GLN 50 Ca 0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2pk2 h GLN 50 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2pk2 h GLN 50 CO 0.00 0.00 -1.36 0.00 -0.67 0.00 0.00 178.83 176.80 2pk2 h ARG 51 N 0.00 0.11 -0.00 1.46 3.08 -1.51 -3.30 114.38 114.21 2pk2 h ARG 51 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2pk2 h ARG 51 Cb 0.58 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2pk2 h ARG 51 CO 0.00 0.95 -0.07 1.28 -1.07 0.00 0.00 179.97 181.05 2pk2 n LEU 52 N -3.33 0.43 -2.27 3.04 4.77 -1.05 -4.92 117.00 113.66 2pk2 n LEU 52 Ca -0.10 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 2pk2 n LEU 52 Cb 1.01 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2pk2 n LEU 52 CO 0.48 0.08 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.32 2pk2 n ASN 53 N -0.91 -5.22 -4.86 -1.43 4.05 -1.10 -4.98 115.26 100.81 2pk2 n ASN 53 Ca 0.16 -0.14 -0.31 0.00 0.45 0.00 0.00 54.58 54.74 2pk2 n ASN 53 Cb 0.26 -4.17 -0.01 0.00 1.23 0.00 0.00 39.78 37.08 2pk2 n ASN 53 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2pk2 s VAL 54 N -2.98 4.64 0.30 3.44 0.11 -1.07 -5.01 120.40 119.83 2pk2 s VAL 54 Ca 0.14 1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.91 2pk2 s VAL 54 Cb -0.06 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 30.88 2pk2 s VAL 54 CO 0.17 -0.94 1.48 -0.55 -3.33 0.00 0.00 175.10 171.93 2pk2 s SER 55 N -3.69 6.51 0.33 3.54 0.15 -1.26 -4.90 113.70 114.38 2pk2 s SER 55 Ca 0.57 2.84 0.12 0.00 0.70 0.00 0.00 55.95 60.18 2pk2 s SER 55 Cb -0.11 -2.64 0.99 0.00 -1.71 0.00 0.00 66.02 62.56 2pk2 s SER 55 CO 0.44 -0.79 1.70 -0.61 1.20 0.00 0.00 173.24 175.18 2pk2 h GLN 56 N 4.37 0.44 0.00 5.44 5.75 -1.98 0.58 115.11 129.72 2pk2 h GLN 56 Ca -0.48 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2pk2 h GLN 56 Cb 1.22 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2pk2 h GLN 56 CO 0.74 0.29 -0.12 1.37 -2.65 0.00 0.00 178.83 178.46 2pk2 h LEU 57 N 0.45 0.00 -1.14 -2.39 -0.00 -2.01 -3.08 115.31 107.15 2pk2 h LEU 57 Ca 0.69 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.48 2pk2 h LEU 57 Cb 1.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.11 2pk2 h LEU 57 CO -0.53 0.12 -0.40 0.74 -0.00 0.00 0.00 178.44 178.37 2pk2 h THR 58 N 0.00 1.29 0.13 0.15 2.02 -0.18 -3.14 112.91 113.19 2pk2 h THR 58 Ca -0.00 -1.41 -0.33 0.00 0.77 0.00 0.00 66.41 65.44 2pk2 h THR 58 Cb 0.93 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2pk2 h THR 58 CO 0.02 0.41 -1.71 0.40 0.37 0.00 0.00 175.52 175.01 2pk2 h ILE 59 N 0.05 0.85 -0.82 3.11 2.04 -1.49 -3.33 117.51 117.91 2pk2 h ILE 59 Ca 0.00 -2.39 0.13 0.00 1.00 0.00 0.00 64.86 63.60 2pk2 h ILE 59 Cb 0.73 2.62 -0.09 0.00 -0.74 0.00 0.00 36.82 39.34 2pk2 h ILE 59 CO 0.05 0.79 0.42 0.78 0.00 0.00 0.00 178.15 180.20 2pk2 h ASN 60 N -0.10 0.52 -0.00 1.72 2.35 -1.54 0.48 115.58 119.01 2pk2 h ASN 60 Ca -0.36 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 2pk2 h ASN 60 Cb 1.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.28 2pk2 h ASN 60 CO 0.08 0.24 -0.07 0.74 -1.65 0.00 0.00 177.43 176.77 2pk2 h THR 61 N 0.63 1.13 -0.01 2.81 2.02 -1.71 -2.82 112.91 114.96 2pk2 h THR 61 Ca 0.44 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2pk2 h THR 61 Cb 0.58 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2pk2 h THR 61 CO -0.34 0.18 0.00 0.00 0.37 0.00 0.00 175.52 175.73 2pk2 h ALA 62 N 1.74 0.01 -0.64 6.16 0.00 -0.18 -2.76 119.26 123.59 2pk2 h ALA 62 Ca 0.04 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2pk2 h ALA 62 Cb 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2pk2 h ALA 62 CO 0.01 -0.38 0.43 0.82 0.00 0.00 0.00 179.25 180.13 2pk2 h ILE 63 N -0.22 0.89 -0.63 0.00 1.08 -1.06 -0.58 117.51 116.98 2pk2 h ILE 63 Ca 0.00 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2pk2 h ILE 63 Cb 0.23 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 2pk2 h ILE 63 CO 0.00 0.08 0.42 0.58 -0.69 0.00 0.00 178.15 178.54 2pk2 h VAL 64 N 0.44 1.07 -0.00 1.67 2.07 -1.26 -1.99 116.25 118.26 2pk2 h VAL 64 Ca 0.30 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.38 2pk2 h VAL 64 Cb 0.57 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2pk2 h VAL 64 CO -0.09 0.13 -0.71 1.88 0.02 0.00 0.00 177.57 178.81 2pk2 h TYR 65 N 0.73 0.72 -0.45 1.57 -1.99 -1.00 -2.83 116.97 113.72 2pk2 h TYR 65 Ca 0.26 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.60 2pk2 h TYR 65 Cb 0.11 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 2pk2 h TYR 65 CO -0.00 1.21 0.29 1.98 -0.00 0.00 0.00 178.16 181.64 2pk2 h MET 66 N 0.02 0.60 -0.67 4.88 4.05 -1.33 1.34 114.93 123.81 2pk2 h MET 66 Ca -0.09 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2pk2 h MET 66 Cb 1.41 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 2pk2 h MET 66 CO 0.14 0.42 0.44 0.45 0.23 0.00 0.00 176.91 178.59 2pk2 h HIS 67 N 0.60 0.76 0.06 1.39 3.86 -1.42 -2.19 115.15 118.21 2pk2 h HIS 67 Ca 0.16 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.23 2pk2 h HIS 67 Cb -0.04 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 2pk2 h HIS 67 CO -0.04 0.43 -0.81 0.00 0.86 0.00 0.00 177.93 178.37 2pk2 h ARG 68 N 0.78 0.12 -0.91 2.45 3.08 -1.12 -3.35 114.38 115.43 2pk2 h ARG 68 Ca 0.27 -0.21 0.25 0.00 0.07 0.00 0.00 59.98 60.37 2pk2 h ARG 68 Cb 0.11 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.08 2pk2 h ARG 68 CO -0.08 1.10 0.18 0.35 -1.07 0.00 0.00 179.97 180.45 2pk2 h PHE 69 N -0.69 0.24 -0.16 3.04 3.57 0.19 1.09 116.94 124.21 2pk2 h PHE 69 Ca -0.19 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2pk2 h PHE 69 Cb 1.39 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2pk2 h PHE 69 CO 0.18 -0.30 0.00 0.66 -2.23 0.00 0.00 178.31 176.63 2pk2 n TYR 70 N -5.31 0.49 -0.02 0.41 4.01 -0.84 -3.46 117.16 112.44 2pk2 n TYR 70 Ca 0.22 -0.18 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 2pk2 n TYR 70 Cb 0.73 -0.17 0.28 0.00 -0.31 0.00 0.00 39.34 39.87 2pk2 n TYR 70 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2pk2 n MET 71 N 0.15 2.73 0.00 -0.72 2.81 0.38 -4.00 117.12 118.47 2pk2 n MET 71 Ca 0.07 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.74 2pk2 n MET 71 Cb 0.43 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2pk2 n MET 71 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2pk2 n ILE 72 N 1.10 0.00 -2.33 2.02 -0.00 -1.24 -4.80 119.36 114.10 2pk2 n ILE 72 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.95 2pk2 n ILE 72 Cb 0.61 0.08 0.00 0.00 -0.00 0.00 0.00 39.64 40.33 2pk2 n ILE 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2pk2 n GLN 73 N 0.00 3.72 -3.90 0.38 1.13 -1.22 -4.73 117.38 112.76 2pk2 n GLN 73 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2pk2 n GLN 73 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 2pk2 n GLN 73 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2pk2 s SER 74 N 0.23 0.16 0.24 1.08 0.15 -1.26 -3.21 113.70 111.08 2pk2 s SER 74 Ca 0.00 -0.61 0.20 0.00 0.70 0.00 0.00 55.95 56.25 2pk2 s SER 74 Cb 0.00 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2pk2 s SER 74 CO 0.00 -0.63 1.18 -0.26 1.20 0.00 0.00 173.24 174.73 2pk2 h PHE 75 N 3.13 0.00 -0.03 3.44 0.04 -1.95 -2.42 116.94 119.16 2pk2 h PHE 75 Ca -0.33 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.26 2pk2 h PHE 75 Cb 1.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.35 2pk2 h PHE 75 CO 0.48 0.18 -0.68 1.79 -0.60 0.00 0.00 178.31 179.48 2pk2 h THR 76 N 0.00 1.38 0.06 -1.55 1.35 -1.97 -3.21 112.91 108.96 2pk2 h THR 76 Ca -0.03 -2.06 -0.00 0.00 -0.55 0.00 0.00 66.41 63.77 2pk2 h THR 76 Cb 1.17 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2pk2 h THR 76 CO 0.02 0.61 -0.03 0.03 -0.25 0.00 0.00 175.52 175.90 2pk2 h ARG 77 N 0.07 -0.08 -4.29 4.72 3.08 -2.00 -3.41 114.38 112.47 2pk2 h ARG 77 Ca -0.08 0.01 -0.74 0.00 0.07 0.00 0.00 59.98 59.24 2pk2 h ARG 77 Cb 1.36 0.02 -0.23 0.00 0.08 0.00 0.00 29.97 31.20 2pk2 h ARG 77 CO 0.13 -0.06 -0.04 -0.06 -1.07 0.00 0.00 179.97 178.88 2pk2 s PHE 78 N -1.77 3.22 0.15 3.04 0.08 -0.91 -5.06 117.98 116.72 2pk2 s PHE 78 Ca -0.01 -1.26 -0.30 0.00 0.12 0.00 0.00 56.93 55.48 2pk2 s PHE 78 Cb 0.00 -3.89 -0.07 0.00 -0.57 0.00 0.00 43.02 38.49 2pk2 s PHE 78 CO 0.04 -1.12 1.11 -1.25 -0.10 0.00 0.00 175.22 173.89 2pk2 s PRO 79 N 1.84 4.57 0.57 0.24 0.04 -1.21 -4.08 135.00 136.96 2pk2 s PRO 79 Ca 0.08 1.71 0.27 0.00 0.04 0.00 0.00 61.00 63.10 2pk2 s PRO 79 Cb -0.25 -3.30 1.54 0.00 0.04 0.00 0.00 34.50 32.52 2pk2 s PRO 79 CO 0.02 0.01 2.04 0.78 0.04 0.00 0.00 177.00 179.90 2pk2 h GLY 80 N 5.49 0.00 -0.98 0.56 0.00 -1.92 -0.92 103.07 105.29 2pk2 h GLY 80 Ca -0.44 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.29 2pk2 h GLY 80 CO 0.74 0.00 0.46 3.43 0.00 0.00 0.00 176.54 181.17 2pk2 h ASN 81 N 0.00 0.21 0.00 0.19 2.35 -1.93 0.17 115.58 116.57 2pk2 h ASN 81 Ca 0.15 0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 56.09 2pk2 h ASN 81 Cb 0.72 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2pk2 h ASN 81 CO -0.00 -0.42 -1.45 -0.24 -1.65 0.00 0.00 177.43 173.67 2pk2 n SER 82 N -5.29 3.09 0.06 5.81 2.88 -0.75 -4.62 113.62 114.81 2pk2 n SER 82 Ca 0.36 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.93 2pk2 n SER 82 Cb 1.20 1.05 0.41 0.00 -0.75 0.00 0.00 64.21 66.12 2pk2 n SER 82 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2pk2 h VAL 83 N 0.00 1.14 0.27 2.46 2.07 -0.44 -3.25 116.25 118.50 2pk2 h VAL 83 Ca -0.10 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2pk2 h VAL 83 Cb 0.91 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2pk2 h VAL 83 CO 0.01 0.17 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 2pk2 h ALA 84 N 1.68 -0.41 0.00 1.67 0.00 -1.25 -1.04 119.26 119.91 2pk2 h ALA 84 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pk2 h ALA 84 Cb 0.16 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2pk2 h ALA 84 CO -0.00 -0.74 -0.01 -1.35 0.00 0.00 0.00 179.25 177.14 2pk2 h PRO 85 N -0.42 0.00 -0.16 0.00 0.11 -1.82 0.61 132.00 130.33 2pk2 h PRO 85 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2pk2 h PRO 85 Cb 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2pk2 h PRO 85 CO 0.03 0.01 0.02 0.00 -0.21 0.00 0.00 178.00 177.85 2pk2 h ALA 86 N 1.99 0.21 0.00 -0.75 0.00 -1.29 -2.68 119.26 116.73 2pk2 h ALA 86 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2pk2 h ALA 86 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pk2 h ALA 86 CO 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 2pk2 h ALA 87 N 0.79 0.99 -0.04 0.00 0.00 -0.62 -2.93 119.26 117.46 2pk2 h ALA 87 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pk2 h ALA 87 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pk2 h ALA 87 CO 0.00 0.03 0.00 -0.11 0.00 0.00 0.00 179.25 179.18 2pk2 n LEU 88 N -3.11 0.25 -0.07 0.00 7.94 0.14 -2.52 117.00 119.63 2pk2 n LEU 88 Ca 0.02 -0.12 -0.11 0.00 -1.11 0.00 0.00 56.01 54.69 2pk2 n LEU 88 Cb 0.42 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.28 2pk2 n LEU 88 CO 0.31 0.06 -0.95 0.33 -1.11 0.00 0.00 177.39 176.03 2pk2 n PHE 89 N -0.40 0.00 -0.13 1.96 7.35 -1.11 -3.93 117.46 121.20 2pk2 n PHE 89 Ca 0.03 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.60 2pk2 n PHE 89 Cb 0.05 -0.50 -0.02 0.00 0.35 0.00 0.00 39.48 39.36 2pk2 n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2pk2 h LEU 90 N -0.19 0.86 -0.02 -2.13 4.07 -1.63 -2.78 115.31 113.49 2pk2 h LEU 90 Ca -0.31 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 57.24 2pk2 h LEU 90 Cb 1.40 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 2pk2 h LEU 90 CO -0.11 1.08 0.00 0.00 -1.08 0.00 0.00 178.44 178.33 2pk2 h ALA 91 N 0.81 0.02 -0.67 1.53 0.00 -1.75 -2.88 119.26 116.32 2pk2 h ALA 91 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pk2 h ALA 91 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pk2 h ALA 91 CO 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.98 2pk2 n ALA 92 N -2.25 -0.08 -0.23 0.00 0.00 -1.21 -1.74 120.51 115.00 2pk2 n ALA 92 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.39 2pk2 n ALA 92 Cb 0.16 0.36 0.13 0.00 0.00 0.00 0.00 19.45 20.10 2pk2 n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2pk2 h LYS 93 N 0.00 0.10 -0.51 0.00 1.57 -1.61 -0.02 116.57 116.10 2pk2 h LYS 93 Ca 0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2pk2 h LYS 93 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2pk2 h LYS 93 CO 0.00 0.06 0.35 0.28 -0.57 0.00 0.00 179.45 179.58 2pk2 h VAL 94 N 0.10 0.82 -0.91 0.50 2.07 -1.22 -1.15 116.25 116.46 2pk2 h VAL 94 Ca 0.37 -0.05 -0.50 0.00 0.82 0.00 0.00 66.70 67.34 2pk2 h VAL 94 Cb 0.62 0.65 -0.28 0.00 -1.52 0.00 0.00 31.29 30.76 2pk2 h VAL 94 CO -0.61 0.03 0.63 -0.62 0.02 0.00 0.00 177.57 177.02 2pk2 n GLU 95 N -4.43 2.20 -0.70 1.57 -0.58 -0.03 -4.90 120.64 113.78 2pk2 n GLU 95 Ca 0.09 -2.78 -0.01 0.00 -0.42 0.00 0.00 57.16 54.04 2pk2 n GLU 95 Cb 0.47 -2.09 -0.00 0.00 -0.57 0.00 0.00 31.44 29.25 2pk2 n GLU 95 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2pk2 n GLU 96 N -0.95 -1.95 -3.24 3.49 4.71 -0.43 -4.82 120.64 117.45 2pk2 n GLU 96 Ca 0.55 0.36 -0.19 0.00 -0.01 0.00 0.00 57.16 57.86 2pk2 n GLU 96 Cb 1.42 -4.18 -0.07 0.00 -1.01 0.00 0.00 31.44 27.60 2pk2 n GLU 96 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 2pk2 s GLN 97 N -1.42 0.87 0.07 3.49 1.03 -1.21 -5.03 119.66 117.46 2pk2 s GLN 97 Ca 0.00 -1.54 -0.01 0.00 0.04 0.00 0.00 55.36 53.85 2pk2 s GLN 97 Cb 0.00 -0.92 0.02 0.00 0.03 0.00 0.00 33.01 32.13 2pk2 s GLN 97 CO 0.00 -1.32 0.10 -0.35 -2.54 0.00 0.00 175.29 171.18 2pk2 n PRO 98 N 3.24 -0.08 -4.21 9.60 -0.04 -1.23 -4.67 135.00 137.62 2pk2 n PRO 98 Ca 0.22 -0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2pk2 n PRO 98 Cb 0.49 -0.10 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 2pk2 n PRO 98 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2pk2 s LYS 99 N -3.20 1.12 0.37 0.54 -0.14 -1.26 -4.92 119.74 112.24 2pk2 s LYS 99 Ca 0.06 -1.56 -0.27 0.00 -1.36 0.00 0.00 55.97 52.83 2pk2 s LYS 99 Cb -0.00 0.05 -0.09 0.00 -1.68 0.00 0.00 37.83 36.10 2pk2 s LYS 99 CO 0.04 -0.27 1.27 0.15 -0.76 0.00 0.00 175.35 175.79 2pk2 s LYS 100 N -4.04 4.17 0.57 1.68 1.02 -1.26 -4.77 119.74 117.10 2pk2 s LYS 100 Ca 0.30 2.12 0.26 0.00 0.02 0.00 0.00 55.97 58.66 2pk2 s LYS 100 Cb 0.07 -2.89 1.58 0.00 -0.52 0.00 0.00 37.83 36.07 2pk2 s LYS 100 CO 0.07 -0.31 2.13 1.25 -0.92 0.00 0.00 175.35 177.57 2pk2 h LEU 101 N 3.01 0.00 0.08 3.17 7.12 -2.00 1.35 115.31 128.05 2pk2 h LEU 101 Ca -0.49 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.26 2pk2 h LEU 101 Cb 1.23 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2pk2 h LEU 101 CO 0.64 0.00 -1.18 -0.08 -0.13 0.00 0.00 178.44 177.69 2pk2 h GLU 102 N 0.00 0.23 0.09 1.25 4.81 -1.96 -2.07 114.58 116.92 2pk2 h GLU 102 Ca 0.07 -0.38 -0.27 0.00 -0.13 0.00 0.00 59.36 58.66 2pk2 h GLU 102 Cb 0.35 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2pk2 h GLU 102 CO -0.00 1.17 -1.25 1.25 -0.73 0.00 0.00 179.01 179.45 2pk2 h HIS 103 N 0.07 0.35 -0.60 0.92 2.76 -1.53 1.45 115.15 118.57 2pk2 h HIS 103 Ca -0.11 -0.26 0.10 0.00 -2.20 0.00 0.00 60.37 57.90 2pk2 h HIS 103 Cb 1.91 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 30.82 2pk2 h HIS 103 CO 0.05 1.22 0.41 0.28 -1.30 0.00 0.00 177.93 178.59 2pk2 h VAL 104 N 0.05 0.90 0.00 5.26 2.07 0.17 0.20 116.25 124.90 2pk2 h VAL 104 Ca -0.13 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2pk2 h VAL 104 Cb 1.93 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2pk2 h VAL 104 CO 0.17 0.08 -1.09 0.40 0.02 0.00 0.00 177.57 177.15 2pk2 h ILE 105 N 0.42 0.17 -0.23 4.57 2.04 -1.21 -3.34 117.51 119.93 2pk2 h ILE 105 Ca 0.28 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2pk2 h ILE 105 Cb 0.54 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2pk2 h ILE 105 CO -0.08 0.10 0.00 0.29 0.00 0.00 0.00 178.15 178.46 2pk2 n LYS 106 N -2.77 1.90 -0.02 2.37 5.02 0.50 -2.52 118.16 122.64 2pk2 n LYS 106 Ca -0.03 -0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 55.27 2pk2 n LYS 106 Cb 0.64 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 2pk2 n LYS 106 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pk2 n VAL 107 N 0.23 0.28 -0.03 -0.18 0.31 -0.60 -4.62 118.33 113.72 2pk2 n VAL 107 Ca 0.09 -0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 2pk2 n VAL 107 Cb 0.37 -0.61 -0.07 0.00 -0.91 0.00 0.00 33.84 32.62 2pk2 n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk2 h ALA 108 N 0.31 0.15 0.46 3.52 0.00 -1.60 -1.36 119.26 120.73 2pk2 h ALA 108 Ca -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2pk2 h ALA 108 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2pk2 h ALA 108 CO 0.01 -0.20 -0.31 1.25 0.00 0.00 0.00 179.25 180.00 2pk2 h HIS 109 N -0.05 -0.82 0.00 0.00 6.17 -1.81 1.47 115.15 120.11 2pk2 h HIS 109 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2pk2 h HIS 109 Cb 0.29 0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.52 2pk2 h HIS 109 CO 0.02 -0.47 0.00 1.79 0.71 0.00 0.00 177.93 179.98 2pk2 h THR 110 N -0.75 0.00 0.00 6.26 1.35 -1.72 0.25 112.91 118.30 2pk2 h THR 110 Ca -0.05 -0.13 -0.27 0.00 -0.55 0.00 0.00 66.41 65.42 2pk2 h THR 110 Cb 0.62 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 2pk2 h THR 110 CO 0.03 0.00 -1.46 0.00 -0.25 0.00 0.00 175.52 173.84 2pk2 h LEU 112 N -1.00 -0.10 -7.50 0.00 3.38 0.21 -3.41 115.31 106.88 2pk2 h LEU 112 Ca -0.40 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 56.83 2pk2 h LEU 112 Cb 1.35 0.03 -0.32 0.00 0.09 0.00 0.00 40.66 41.80 2pk2 h LEU 112 CO -0.24 0.28 0.01 -1.00 0.09 0.00 0.00 178.44 177.58 2pk2 s HIS 113 N -1.88 3.87 -1.54 1.13 3.76 0.86 -4.88 115.29 116.60 2pk2 s HIS 113 Ca -0.02 -2.73 0.02 0.00 -0.15 0.00 0.00 55.06 52.18 2pk2 s HIS 113 Cb 0.00 -3.46 0.09 0.00 1.11 0.00 0.00 32.58 30.32 2pk2 s HIS 113 CO 0.05 -0.84 0.89 -0.35 -0.85 0.00 0.00 174.74 173.64 2pk2 n PRO 114 N 2.88 1.32 0.00 8.40 -0.04 -1.20 -3.72 135.00 142.64 2pk2 n PRO 114 Ca 0.18 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2pk2 n PRO 114 Cb 0.39 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2pk2 n PRO 114 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2pk2 n GLN 115 N -0.11 0.95 -1.99 0.54 6.02 -1.26 -5.04 117.38 116.49 2pk2 n GLN 115 Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 2pk2 n GLN 115 Cb 0.20 -0.81 0.01 0.00 1.02 0.00 0.00 30.24 30.66 2pk2 n GLN 115 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2pk2 s GLU 116 N -1.61 3.76 0.82 -1.09 2.02 -1.24 -4.94 118.70 116.42 2pk2 s GLU 116 Ca 0.00 2.17 -0.15 0.00 0.02 0.00 0.00 54.97 57.00 2pk2 s GLU 116 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2pk2 s GLU 116 CO 0.00 -0.67 0.27 0.45 0.02 0.00 0.00 175.26 175.33 2pk2 n SER 117 N -0.19 -2.30 -4.77 -0.19 2.88 -1.26 -4.86 113.62 102.93 2pk2 n SER 117 Ca 0.05 0.45 -0.41 0.00 -1.33 0.00 0.00 58.87 57.64 2pk2 n SER 117 Cb 0.44 -1.13 0.01 0.00 -0.75 0.00 0.00 64.21 62.78 2pk2 n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2pk2 n LEU 118 N 0.04 4.86 -4.59 2.46 7.94 -1.26 -4.98 117.00 121.47 2pk2 n LEU 118 Ca 0.07 1.19 -0.28 0.00 -1.11 0.00 0.00 56.01 55.87 2pk2 n LEU 118 Cb 0.52 -1.61 0.21 0.00 0.53 0.00 0.00 43.42 43.07 2pk2 n LEU 118 CO 0.51 0.02 0.59 -2.16 -1.11 0.00 0.00 177.39 175.23 2pk2 s PRO 119 N -2.22 -0.36 -0.03 1.96 0.04 -1.26 -5.05 135.00 128.08 2pk2 s PRO 119 Ca 0.56 0.54 0.05 0.00 0.04 0.00 0.00 61.00 62.19 2pk2 s PRO 119 Cb -0.47 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2pk2 s PRO 119 CO 0.62 -3.27 -0.19 0.34 0.04 0.00 0.00 177.00 174.54 2pk2 s ASP 120 N -3.15 2.26 0.37 6.66 3.68 -1.26 -5.02 116.67 120.20 2pk2 s ASP 120 Ca 0.67 -0.36 0.19 0.00 2.13 0.00 0.00 52.55 55.18 2pk2 s ASP 120 Cb -0.20 -0.46 0.64 0.00 -1.45 0.00 0.00 42.92 41.45 2pk2 s ASP 120 CO 0.60 0.20 1.72 0.74 0.13 0.00 0.00 175.17 178.55 2pk2 h THR 121 N 4.98 0.87 -0.64 1.71 2.02 -2.00 -3.25 112.91 116.60 2pk2 h THR 121 Ca -0.35 -1.56 -0.44 0.00 0.77 0.00 0.00 66.41 64.83 2pk2 h THR 121 Cb 1.16 1.96 -0.29 0.00 -1.74 0.00 0.00 68.15 69.24 2pk2 h THR 121 CO 0.48 0.37 -0.30 0.54 0.37 0.00 0.00 175.52 176.98 2pk2 n ARG 122 N -3.50 2.85 -4.42 6.66 1.74 -1.26 -4.72 116.66 114.01 2pk2 n ARG 122 Ca -0.00 -3.70 -0.32 0.00 -0.77 0.00 0.00 57.85 53.06 2pk2 n ARG 122 Cb 0.52 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.46 29.74 2pk2 n ARG 122 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2pk2 s SER 123 N -2.99 4.55 0.57 0.55 1.04 -1.23 -5.00 113.70 111.19 2pk2 s SER 123 Ca 0.51 -0.21 0.27 0.00 0.48 0.00 0.00 55.95 57.00 2pk2 s SER 123 Cb 0.43 -1.01 1.68 0.00 0.10 0.00 0.00 66.02 67.22 2pk2 s SER 123 CO 0.01 0.26 2.22 -0.08 0.98 0.00 0.00 173.24 176.63 2pk2 h GLU 124 N 4.32 0.00 0.00 4.02 4.57 -1.94 0.81 114.58 126.36 2pk2 h GLU 124 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2pk2 h GLU 124 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2pk2 h GLU 124 CO 0.53 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 2pk2 n ALA 125 N -2.36 1.71 -0.09 2.92 0.00 -1.26 -0.05 120.51 121.38 2pk2 n ALA 125 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2pk2 n ALA 125 Cb 0.10 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 2pk2 n ALA 125 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2pk2 n TYR 126 N -1.81 0.00 -0.07 0.00 9.36 -0.27 -4.53 117.16 119.84 2pk2 n TYR 126 Ca 0.03 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.27 2pk2 n TYR 126 Cb 0.21 -0.62 0.34 0.00 -0.63 0.00 0.00 39.34 38.64 2pk2 n TYR 126 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pk2 h LEU 127 N -0.43 0.60 0.40 2.98 3.38 -0.86 -0.29 115.31 121.09 2pk2 h LEU 127 Ca -0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pk2 h LEU 127 Cb 1.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2pk2 h LEU 127 CO -0.20 0.48 -0.45 1.56 0.09 0.00 0.00 178.44 179.92 2pk2 h GLN 128 N 0.69 -0.84 0.00 1.13 4.20 -0.69 -1.11 115.11 118.50 2pk2 h GLN 128 Ca 0.18 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2pk2 h GLN 128 Cb 0.00 0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2pk2 h GLN 128 CO -0.03 -0.56 0.00 0.00 -0.67 0.00 0.00 178.83 177.57 2pk2 n GLN 129 N -5.52 0.70 0.01 1.46 10.64 -1.12 -3.81 117.38 119.75 2pk2 n GLN 129 Ca -0.11 0.01 -0.13 0.00 -1.83 0.00 0.00 57.00 54.95 2pk2 n GLN 129 Cb 0.42 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.21 2pk2 n GLN 129 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2pk2 h VAL 130 N 0.00 1.23 -0.02 -0.39 2.07 0.30 -1.57 116.25 117.87 2pk2 h VAL 130 Ca 0.00 -0.72 -0.18 0.00 0.82 0.00 0.00 66.70 66.63 2pk2 h VAL 130 Cb 0.05 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2pk2 h VAL 130 CO 0.00 0.19 -0.77 1.56 0.02 0.00 0.00 177.57 178.57 2pk2 h GLN 131 N -0.32 0.20 -0.88 1.57 7.50 -1.65 -3.29 115.11 118.25 2pk2 h GLN 131 Ca -0.00 -0.19 0.07 0.00 0.50 0.00 0.00 58.65 59.03 2pk2 h GLN 131 Cb 0.31 0.04 -0.06 0.00 0.05 0.00 0.00 27.48 27.82 2pk2 h GLN 131 CO 0.00 0.87 0.54 0.22 -1.50 0.00 0.00 178.83 178.97 2pk2 h ASP 132 N 0.13 0.85 0.59 1.46 1.82 -1.64 1.54 116.42 121.17 2pk2 h ASP 132 Ca -0.03 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2pk2 h ASP 132 Cb 1.34 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2pk2 h ASP 132 CO 0.12 0.53 0.00 0.18 -1.61 0.00 0.00 179.24 178.46 2pk2 n LEU 133 N -4.62 0.00 -0.22 2.28 4.77 -0.60 0.20 117.00 118.81 2pk2 n LEU 133 Ca 0.13 0.45 0.03 0.00 -0.03 0.00 0.00 56.01 56.58 2pk2 n LEU 133 Cb 0.19 -0.45 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2pk2 n LEU 133 CO 0.31 -0.15 0.36 0.52 -1.33 0.00 0.00 177.39 177.10 2pk2 n VAL 134 N -1.45 0.12 -0.11 4.08 0.31 0.48 -3.47 118.33 118.30 2pk2 n VAL 134 Ca 0.06 -0.56 -0.20 0.00 -0.01 0.00 0.00 64.34 63.63 2pk2 n VAL 134 Cb 0.21 1.04 -0.08 0.00 -0.91 0.00 0.00 33.84 34.09 2pk2 n VAL 134 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2pk2 n ILE 135 N 0.26 1.19 0.18 2.52 5.41 0.50 -4.24 119.36 125.17 2pk2 n ILE 135 Ca 0.03 -0.36 0.03 0.00 1.00 0.00 0.00 62.75 63.45 2pk2 n ILE 135 Cb 0.15 -1.57 0.33 0.00 -0.71 0.00 0.00 39.64 37.84 2pk2 n ILE 135 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2pk2 h LEU 136 N -0.48 0.00 -2.24 1.39 3.38 0.20 -1.95 115.31 115.60 2pk2 h LEU 136 Ca -0.52 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.48 2pk2 h LEU 136 Cb 1.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2pk2 h LEU 136 CO -0.23 0.42 0.08 -0.08 0.09 0.00 0.00 178.44 178.72 2pk2 h GLU 137 N 0.00 0.00 0.17 1.13 4.81 -1.66 -0.59 114.58 118.44 2pk2 h GLU 137 Ca -0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2pk2 h GLU 137 Cb 0.81 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.19 2pk2 h GLU 137 CO 0.05 0.00 -1.77 1.03 -0.73 0.00 0.00 179.01 177.59 2pk2 h SER 138 N 0.00 0.58 -0.53 1.04 0.87 -1.58 -0.16 113.55 113.77 2pk2 h SER 138 Ca 0.04 -0.94 0.15 0.00 -1.23 0.00 0.00 61.79 59.81 2pk2 h SER 138 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2pk2 h SER 138 CO -0.00 1.79 0.38 0.40 -0.53 0.00 0.00 176.83 178.87 2pk2 h ILE 139 N 0.08 0.76 0.04 2.23 5.03 -0.57 0.24 117.51 125.32 2pk2 h ILE 139 Ca -0.36 -0.02 -0.34 0.00 -0.12 0.00 0.00 64.86 64.03 2pk2 h ILE 139 Cb 2.07 0.70 -0.04 0.00 -3.03 0.00 0.00 36.82 36.52 2pk2 h ILE 139 CO 0.16 0.01 -1.96 0.00 -0.68 0.00 0.00 178.15 175.67 2pk2 n ILE 140 N -4.40 1.63 -0.31 -0.67 3.06 -0.33 -3.27 119.36 115.08 2pk2 n ILE 140 Ca 0.10 -0.74 0.11 0.00 -2.50 0.00 0.00 62.75 59.72 2pk2 n ILE 140 Cb 0.57 -1.23 0.33 0.00 0.54 0.00 0.00 39.64 39.85 2pk2 n ILE 140 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2pk2 h LEU 141 N 0.02 0.75 0.02 9.51 3.38 0.13 -2.74 115.31 126.39 2pk2 h LEU 141 Ca -0.39 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.28 2pk2 h LEU 141 Cb 2.04 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.64 2pk2 h LEU 141 CO 0.06 0.36 -2.20 0.00 0.09 0.00 0.00 178.44 176.76 2pk2 n GLN 142 N -4.61 0.68 -0.24 1.13 -0.00 0.47 -3.23 117.38 111.57 2pk2 n GLN 142 Ca 0.19 0.13 0.25 0.00 -0.00 0.00 0.00 57.00 57.58 2pk2 n GLN 142 Cb 0.47 -1.61 0.63 0.00 -0.00 0.00 0.00 30.24 29.72 2pk2 n GLN 142 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2pk2 h THR 143 N 0.01 0.57 -0.31 -0.39 2.02 -1.47 1.48 112.91 114.82 2pk2 h THR 143 Ca -0.48 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2pk2 h THR 143 Cb 2.09 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2pk2 h THR 143 CO 0.02 0.03 0.07 0.18 0.37 0.00 0.00 175.52 176.19 2pk2 n LEU 144 N -4.40 3.54 -3.88 2.58 4.77 -1.18 -4.87 117.00 113.57 2pk2 n LEU 144 Ca 0.21 -1.81 -0.31 0.00 -0.03 0.00 0.00 56.01 54.07 2pk2 n LEU 144 Cb 0.90 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2pk2 n LEU 144 CO 0.34 0.50 0.04 0.61 -1.33 0.00 0.00 177.39 177.55 2pk2 n GLY 145 N 0.17 -0.48 3.26 -0.72 0.00 0.51 0.25 105.19 108.17 2pk2 n GLY 145 Ca 0.16 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 2pk2 n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pk2 n PHE 146 N -4.45 -1.69 -2.91 1.61 3.01 -1.20 -4.88 117.46 106.94 2pk2 n PHE 146 Ca 0.04 0.34 -0.44 0.00 1.01 0.00 0.00 57.45 58.41 2pk2 n PHE 146 Cb 0.52 -2.28 -0.02 0.00 -0.01 0.00 0.00 39.48 37.69 2pk2 n PHE 146 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2pk2 s GLU 147 N -5.87 3.75 0.16 -1.08 2.12 0.14 -4.82 118.70 113.09 2pk2 s GLU 147 Ca 0.34 -1.98 -0.05 0.00 0.36 0.00 0.00 54.97 53.63 2pk2 s GLU 147 Cb -0.18 -4.99 0.02 0.00 0.26 0.00 0.00 34.13 29.24 2pk2 s GLU 147 CO 0.41 -1.80 1.43 -0.07 -0.54 0.00 0.00 175.26 174.70 2pk2 h LEU 148 N 10.34 0.67 -8.99 2.70 4.07 -1.90 -3.44 115.31 118.76 2pk2 h LEU 148 Ca 0.21 -0.40 -0.58 0.00 0.08 0.00 0.00 57.88 57.18 2pk2 h LEU 148 Cb 0.98 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 2pk2 h LEU 148 CO 1.16 1.15 1.46 -0.89 -1.08 0.00 0.00 178.44 180.24 2pk2 s THR 149 N -3.82 3.06 -0.06 0.22 2.01 -1.26 -4.96 115.64 110.84 2pk2 s THR 149 Ca -0.08 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 2pk2 s THR 149 Cb 0.10 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.57 2pk2 s THR 149 CO 0.86 -0.05 0.10 -0.63 -0.69 0.00 0.00 174.62 174.22 2pk2 s ILE 150 N 7.96 -0.13 0.57 1.82 1.01 -1.26 -4.91 121.20 126.26 2pk2 s ILE 150 Ca 0.98 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.87 2pk2 s ILE 150 Cb -0.32 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2pk2 s ILE 150 CO 0.35 0.13 0.90 -1.81 0.00 0.00 0.00 174.94 174.51 2pk2 s ASP 151 N 1.79 5.82 0.06 3.58 -0.00 -1.26 -5.09 116.67 121.56 2pk2 s ASP 151 Ca -0.01 0.88 0.04 0.00 -0.00 0.00 0.00 52.55 53.45 2pk2 s ASP 151 Cb -0.12 -1.94 -0.03 0.00 -0.00 0.00 0.00 42.92 40.83 2pk2 s ASP 151 CO -0.04 -0.94 -0.12 -1.00 -0.00 0.00 0.00 175.17 173.06 2pk2 s HIS 152 N -2.98 1.03 -0.77 4.23 3.76 -1.26 -4.78 115.29 114.52 2pk2 s HIS 152 Ca 0.53 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 2pk2 s HIS 152 Cb -0.11 -0.59 0.22 0.00 1.11 0.00 0.00 32.58 33.22 2pk2 s HIS 152 CO 0.47 0.01 0.85 -0.35 -0.85 0.00 0.00 174.74 174.87 2pk2 n PRO 153 N 1.41 2.05 -0.08 8.40 -0.04 -1.26 -4.15 135.00 141.33 2pk2 n PRO 153 Ca -0.21 -0.86 -0.16 0.00 -0.04 0.00 0.00 63.50 62.23 2pk2 n PRO 153 Cb 0.54 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 2pk2 n PRO 153 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2pk2 n HIS 154 N 0.17 0.00 -0.25 0.54 8.25 -1.26 -4.21 115.22 118.45 2pk2 n HIS 154 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2pk2 n HIS 154 Cb 0.52 -0.60 0.17 0.00 1.12 0.00 0.00 29.99 31.20 2pk2 n HIS 154 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2pk2 h THR 155 N -0.75 0.74 -0.39 1.59 2.02 -2.00 -1.35 112.91 112.77 2pk2 h THR 155 Ca -0.31 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2pk2 h THR 155 Cb 1.17 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2pk2 h THR 155 CO -0.19 0.10 -0.01 0.45 0.37 0.00 0.00 175.52 176.24 2pk2 h HIS 156 N 0.52 0.76 -0.89 3.16 3.86 -1.83 -2.79 115.15 117.95 2pk2 h HIS 156 Ca 0.39 -0.13 0.20 0.00 -1.16 0.00 0.00 60.37 59.66 2pk2 h HIS 156 Cb 0.52 -0.20 -0.11 0.00 1.06 0.00 0.00 27.41 28.68 2pk2 h HIS 156 CO -0.13 0.78 0.43 0.28 0.86 0.00 0.00 177.93 180.15 2pk2 h VAL 157 N 0.52 0.57 0.00 2.45 2.07 -1.45 0.44 116.25 120.85 2pk2 h VAL 157 Ca 0.11 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2pk2 h VAL 157 Cb 0.48 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2pk2 h VAL 157 CO 0.02 0.09 0.00 0.52 0.02 0.00 0.00 177.57 178.22 2pk2 n VAL 158 N -4.97 0.00 -0.26 2.57 0.31 -0.74 -1.08 118.33 114.17 2pk2 n VAL 158 Ca 0.21 1.32 0.07 0.00 -0.01 0.00 0.00 64.34 65.93 2pk2 n VAL 158 Cb 0.59 -2.16 0.20 0.00 -0.91 0.00 0.00 33.84 31.57 2pk2 n VAL 158 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2pk2 h LYS 159 N 0.00 0.33 -0.94 5.55 2.10 -1.45 0.41 116.57 122.56 2pk2 h LYS 159 Ca 0.00 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2pk2 h LYS 159 Cb 0.00 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.20 2pk2 h LYS 159 CO 0.00 0.22 0.62 0.00 -2.00 0.00 0.00 179.45 178.28 2pk2 n THR 161 N -4.44 0.03 -0.09 0.00 -2.24 -0.24 -3.44 114.28 103.86 2pk2 n THR 161 Ca 0.12 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.71 2pk2 n THR 161 Cb 0.09 0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 2pk2 n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pk2 n GLN 162 N -1.55 0.68 0.24 -0.78 6.02 0.13 -0.63 117.38 121.48 2pk2 n GLN 162 Ca 0.05 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.30 2pk2 n GLN 162 Cb 0.34 -1.58 0.60 0.00 1.02 0.00 0.00 30.24 30.63 2pk2 n GLN 162 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2pk2 h LEU 163 N 0.02 0.00 -0.88 1.08 3.38 0.19 -3.05 115.31 116.05 2pk2 h LEU 163 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2pk2 h LEU 163 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2pk2 h LEU 163 CO -0.02 0.19 -0.50 1.33 0.09 0.00 0.00 178.44 179.53 2pk2 n VAL 164 N -3.69 0.00 -1.91 1.22 0.24 -1.22 -4.96 118.33 108.01 2pk2 n VAL 164 Ca -0.01 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 2pk2 n VAL 164 Cb 0.31 1.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.89 2pk2 n VAL 164 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pk2 n ARG 165 N -0.19 -0.38 -1.10 7.34 1.74 -1.16 -5.01 116.66 117.90 2pk2 n ARG 165 Ca 0.08 0.32 -0.34 0.00 -0.77 0.00 0.00 57.85 57.15 2pk2 n ARG 165 Cb 0.43 -4.08 0.12 0.00 -1.02 0.00 0.00 32.46 27.91 2pk2 n ARG 165 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pk2 n ALA 166 N -0.79 -0.22 -1.58 7.54 0.00 0.19 -5.01 120.51 120.64 2pk2 n ALA 166 Ca -0.06 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 2pk2 n ALA 166 Cb 0.47 -2.21 0.21 0.00 0.00 0.00 0.00 19.45 17.93 2pk2 n ALA 166 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pk2 s SER 167 N -2.07 2.16 -0.18 0.00 1.04 -1.26 -4.85 113.70 108.54 2pk2 s SER 167 Ca 0.72 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 57.31 2pk2 s SER 167 Cb -0.29 -0.51 -0.21 0.00 0.10 0.00 0.00 66.02 65.11 2pk2 s SER 167 CO 0.52 -3.34 0.43 0.50 0.98 0.00 0.00 173.24 172.33 2pk2 h LYS 168 N -2.05 0.00 -0.72 4.02 1.63 -1.97 -2.01 116.57 115.47 2pk2 h LYS 168 Ca -0.44 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.43 2pk2 h LYS 168 Cb 1.26 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.82 2pk2 h LYS 168 CO 0.36 0.96 0.40 0.22 -3.45 0.00 0.00 179.45 177.94 2pk2 h ASP 169 N -1.00 0.58 -0.34 4.20 -0.00 -2.00 0.37 116.42 118.24 2pk2 h ASP 169 Ca -0.19 0.04 -0.09 0.00 -0.00 0.00 0.00 57.03 56.79 2pk2 h ASP 169 Cb 1.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 40.39 2pk2 h ASP 169 CO -0.12 0.36 -0.12 0.25 -0.00 0.00 0.00 179.24 179.61 2pk2 h LEU 170 N 0.71 0.69 -0.74 2.28 5.85 -1.98 -3.09 115.31 119.04 2pk2 h LEU 170 Ca 0.34 -0.39 0.16 0.00 0.84 0.00 0.00 57.88 58.83 2pk2 h LEU 170 Cb 0.26 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 40.98 2pk2 h LEU 170 CO -0.21 0.92 0.16 0.00 -0.34 0.00 0.00 178.44 178.97 2pk2 h ALA 171 N 0.79 0.95 -0.66 1.25 0.00 -0.30 0.47 119.26 121.77 2pk2 h ALA 171 Ca 0.08 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2pk2 h ALA 171 Cb 0.64 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 2pk2 h ALA 171 CO 0.04 -0.35 0.10 1.96 0.00 0.00 0.00 179.25 181.00 2pk2 h GLN 172 N 0.25 0.21 -0.06 0.00 7.50 -0.27 0.37 115.11 123.11 2pk2 h GLN 172 Ca 0.42 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.57 2pk2 h GLN 172 Cb 0.73 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.21 2pk2 h GLN 172 CO -0.53 0.14 0.05 1.15 -1.50 0.00 0.00 178.83 178.13 2pk2 h THR 173 N 0.21 0.83 0.28 -0.54 2.02 -0.04 1.20 112.91 116.87 2pk2 h THR 173 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 2pk2 h THR 173 Cb 0.58 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2pk2 h THR 173 CO -0.49 0.00 -0.13 0.28 0.37 0.00 0.00 175.52 175.55 2pk2 h SER 174 N 0.00 -0.32 0.29 4.18 0.02 0.72 -2.80 113.55 115.65 2pk2 h SER 174 Ca 0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2pk2 h SER 174 Cb 0.12 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2pk2 h SER 174 CO -0.00 -0.07 -0.33 0.22 -1.14 0.00 0.00 176.83 175.51 2pk2 h TYR 175 N -0.70 -0.89 -1.06 3.45 3.20 -0.96 -2.63 116.97 117.38 2pk2 h TYR 175 Ca -0.04 0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.12 2pk2 h TYR 175 Cb 0.29 0.35 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 2pk2 h TYR 175 CO 0.04 -0.46 0.68 0.35 -1.64 0.00 0.00 178.16 177.13 2pk2 h PHE 176 N -0.66 0.65 0.00 -3.82 3.57 0.13 0.89 116.94 117.70 2pk2 h PHE 176 Ca -0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2pk2 h PHE 176 Cb 0.62 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2pk2 h PHE 176 CO -0.21 0.04 -0.50 1.98 -2.23 0.00 0.00 178.31 177.39 2pk2 h MET 177 N 0.37 0.00 -0.89 1.11 4.05 -1.21 -3.18 114.93 115.18 2pk2 h MET 177 Ca 0.61 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 60.03 2pk2 h MET 177 Cb 1.58 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.34 2pk2 h MET 177 CO -0.31 0.50 0.55 0.00 0.23 0.00 0.00 176.91 177.88 2pk2 h ALA 178 N 1.50 1.13 0.00 0.39 0.00 0.12 -2.12 119.26 120.29 2pk2 h ALA 178 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pk2 h ALA 178 Cb 1.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pk2 h ALA 178 CO 0.06 0.58 0.00 2.41 0.00 0.00 0.00 179.25 182.30 2pk2 n THR 179 N -4.42 1.47 -0.04 0.00 -1.04 -1.14 -2.14 114.28 106.98 2pk2 n THR 179 Ca 0.10 0.53 -0.03 0.00 -2.04 0.00 0.00 64.05 62.60 2pk2 n THR 179 Cb 0.05 -1.49 -0.14 0.00 -1.82 0.00 0.00 70.33 66.92 2pk2 n THR 179 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2pk2 n ASN 180 N -1.81 0.33 0.20 8.00 3.02 -0.80 -3.54 115.26 120.66 2pk2 n ASN 180 Ca 0.00 0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.75 2pk2 n ASN 180 Cb 0.05 0.85 0.52 0.00 -0.61 0.00 0.00 39.78 40.59 2pk2 n ASN 180 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2pk2 h SER 181 N 0.00 0.07 0.00 6.41 4.64 -1.45 -1.31 113.55 121.91 2pk2 h SER 181 Ca -0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2pk2 h SER 181 Cb 1.79 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2pk2 h SER 181 CO 0.03 0.17 -0.19 0.25 -0.87 0.00 0.00 176.83 176.22 2pk2 h LEU 182 N 0.08 0.00 0.55 5.97 7.12 -1.68 -2.71 115.31 124.64 2pk2 h LEU 182 Ca 0.02 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 2pk2 h LEU 182 Cb 0.21 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.34 2pk2 h LEU 182 CO 0.01 0.33 -0.27 0.45 -0.13 0.00 0.00 178.44 178.84 2pk2 h HIS 183 N -0.47 -0.69 0.04 1.25 3.86 -1.66 -3.37 115.15 114.11 2pk2 h HIS 183 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2pk2 h HIS 183 Cb 0.19 0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2pk2 h HIS 183 CO -0.08 -0.39 -0.02 -0.07 0.86 0.00 0.00 177.93 178.23 2pk2 h LEU 184 N -0.84 -0.05-10.76 2.43 3.38 -1.64 -3.16 115.31 104.68 2pk2 h LEU 184 Ca -0.08 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.44 2pk2 h LEU 184 Cb 0.61 0.01 0.13 0.00 0.09 0.00 0.00 40.66 41.50 2pk2 h LEU 184 CO 0.12 0.01 0.35 0.42 0.09 0.00 0.00 178.44 179.43 2pk2 s THR 185 N -1.82 2.05 -0.34 0.22 -4.23 -0.55 -4.57 115.64 106.40 2pk2 s THR 185 Ca -0.01 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 2pk2 s THR 185 Cb 0.00 -2.92 0.46 0.00 1.34 0.00 0.00 72.50 71.39 2pk2 s THR 185 CO 0.03 0.00 1.36 0.35 -0.54 0.00 0.00 174.62 175.81 2pk2 n THR 186 N -3.47 2.66 0.27 3.99 -2.24 -1.21 -3.91 114.28 110.37 2pk2 n THR 186 Ca 0.14 -3.71 0.16 0.00 -2.27 0.00 0.00 64.05 58.36 2pk2 n THR 186 Cb 0.60 -0.92 0.78 0.00 -2.10 0.00 0.00 70.33 68.69 2pk2 n THR 186 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2pk2 h PHE 187 N 1.85 0.00 -0.21 4.78 0.04 -1.80 -2.27 116.94 119.33 2pk2 h PHE 187 Ca 0.34 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.06 2pk2 h PHE 187 Cb 1.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.53 2pk2 h PHE 187 CO 0.96 0.00 -0.12 1.03 -0.60 0.00 0.00 178.31 179.58 2pk2 h SER 188 N 0.00 0.33 -0.21 2.17 0.87 -1.84 -0.33 113.55 114.54 2pk2 h SER 188 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2pk2 h SER 188 Cb 0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2pk2 h SER 188 CO 0.00 0.48 0.00 0.18 -0.53 0.00 0.00 176.83 176.96 2pk2 n LEU 189 N -4.25 3.05 -0.02 2.23 4.77 -0.86 -4.48 117.00 117.45 2pk2 n LEU 189 Ca -0.00 -1.29 -0.03 0.00 -0.03 0.00 0.00 56.01 54.66 2pk2 n LEU 189 Cb 0.28 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2pk2 n LEU 189 CO 0.39 0.61 -0.66 0.00 -1.33 0.00 0.00 177.39 176.40 2pk2 n GLN 190 N 1.26 2.04 -4.50 3.23 6.02 -1.04 -3.71 117.38 120.68 2pk2 n GLN 190 Ca 0.15 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.90 2pk2 n GLN 190 Cb 0.55 -1.11 -0.08 0.00 1.02 0.00 0.00 30.24 30.61 2pk2 n GLN 190 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2pk2 s TYR 191 N -2.11 1.78 0.03 1.08 2.02 -0.16 -4.93 117.35 115.06 2pk2 s TYR 191 Ca -0.04 -1.28 -0.00 0.00 -0.37 0.00 0.00 57.07 55.37 2pk2 s TYR 191 Cb 0.02 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2pk2 s TYR 191 CO 0.16 -0.31 0.15 0.95 -1.57 0.00 0.00 175.55 174.93 2pk2 s THR 192 N -3.24 5.10 0.25 -0.71 -4.23 -1.26 -4.69 115.64 106.86 2pk2 s THR 192 Ca 0.26 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.32 2pk2 s THR 192 Cb 0.03 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.70 2pk2 s THR 192 CO 0.15 0.24 1.67 -0.65 -0.54 0.00 0.00 174.62 175.48 2pk2 h PRO 193 N 3.55 0.20 0.00 3.99 0.11 -1.87 0.92 132.00 138.90 2pk2 h PRO 193 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pk2 h PRO 193 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pk2 h PRO 193 CO 0.69 0.13 0.00 -0.35 -0.21 0.00 0.00 178.00 178.26 2pk2 n PRO 194 N -5.22 0.21 0.00 1.05 -0.04 -1.26 -2.20 135.00 127.54 2pk2 n PRO 194 Ca 0.14 0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2pk2 n PRO 194 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2pk2 n PRO 194 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2pk2 n VAL 195 N -1.31 0.00 -0.04 0.52 0.31 0.25 -4.36 118.33 113.70 2pk2 n VAL 195 Ca 0.07 -0.39 -0.20 0.00 -0.01 0.00 0.00 64.34 63.81 2pk2 n VAL 195 Cb 0.14 1.07 -0.13 0.00 -0.91 0.00 0.00 33.84 34.01 2pk2 n VAL 195 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2pk2 n VAL 196 N -0.51 1.69 0.28 2.52 0.31 0.25 -4.04 118.33 118.83 2pk2 n VAL 196 Ca 0.03 -0.64 0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2pk2 n VAL 196 Cb 0.16 -1.61 0.81 0.00 -0.91 0.00 0.00 33.84 32.29 2pk2 n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk2 h ALA 197 N 0.09 1.68 -0.00 3.52 0.00 -1.65 0.67 119.26 123.57 2pk2 h ALA 197 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pk2 h ALA 197 Cb 2.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2pk2 h ALA 197 CO 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 2pk2 n VAL 199 N -1.49 1.70 1.02 0.00 0.31 0.17 -3.24 118.33 116.80 2pk2 n VAL 199 Ca 0.07 -0.63 0.10 0.00 -0.01 0.00 0.00 64.34 63.87 2pk2 n VAL 199 Cb 0.34 -1.63 0.53 0.00 -0.91 0.00 0.00 33.84 32.17 2pk2 n VAL 199 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk2 n ILE 201 N -1.26 1.07 1.87 0.00 2.08 -1.11 -4.06 119.36 117.96 2pk2 n ILE 201 Ca 0.10 -0.48 0.09 0.00 0.56 0.00 0.00 62.75 63.02 2pk2 n ILE 201 Cb 0.16 -1.01 0.47 0.00 -0.75 0.00 0.00 39.64 38.51 2pk2 n ILE 201 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2pk2 n HIS 202 N -2.91 0.04 -0.11 1.39 -0.00 -1.18 -2.35 115.22 110.09 2pk2 n HIS 202 Ca -0.31 -0.02 -0.15 0.00 0.46 0.00 0.00 57.72 57.70 2pk2 n HIS 202 Cb 0.90 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.65 2pk2 n HIS 202 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2pk2 n LEU 203 N -0.58 2.35 0.08 0.27 0.00 -1.05 -4.34 117.00 113.73 2pk2 n LEU 203 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 56.01 55.91 2pk2 n LEU 203 Cb 0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 43.42 42.90 2pk2 n LEU 203 CO 0.10 0.81 0.15 0.00 0.00 0.00 0.00 177.39 178.44 2pk2 h ALA 204 N 0.19 0.34 -1.07 1.96 0.00 -1.70 -3.02 119.26 115.96 2pk2 h ALA 204 Ca -0.52 -0.75 0.29 0.00 0.00 0.00 0.00 54.91 53.92 2pk2 h ALA 204 Cb 1.89 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 2pk2 h ALA 204 CO -0.06 0.88 0.69 0.00 0.00 0.00 0.00 179.25 180.76 2pk2 h LYS 206 N 0.35 0.05 -0.82 0.00 1.79 -1.75 1.36 116.57 117.55 2pk2 h LYS 206 Ca 0.63 -0.08 0.20 0.00 -2.18 0.00 0.00 60.65 59.21 2pk2 h LYS 206 Cb 1.64 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 32.20 2pk2 h LYS 206 CO -0.32 1.04 0.23 2.35 -1.08 0.00 0.00 179.45 181.67 2pk2 h TRP 207 N -0.89 0.35 0.00 -1.35 2.91 -0.86 0.28 115.95 116.39 2pk2 h TRP 207 Ca -0.04 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2pk2 h TRP 207 Cb 1.12 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2pk2 h TRP 207 CO 0.26 -0.13 -0.65 -1.13 -1.03 0.00 0.00 178.44 175.76 2pk2 n SER 208 N -5.17 0.65 -2.30 2.65 3.41 0.10 -4.99 113.62 107.98 2pk2 n SER 208 Ca 0.18 0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2pk2 n SER 208 Cb 0.58 0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 2pk2 n SER 208 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2pk2 n ASN 209 N -2.00 -4.22 -4.66 4.04 3.02 0.99 -5.07 115.26 107.36 2pk2 n ASN 209 Ca 0.03 -0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 53.99 2pk2 n ASN 209 Cb 0.42 -2.72 -0.09 0.00 -0.61 0.00 0.00 39.78 36.78 2pk2 n ASN 209 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2pk2 s TRP 210 N -3.16 2.08 -0.30 3.10 -0.11 0.46 -5.00 118.94 116.02 2pk2 s TRP 210 Ca 0.19 -0.88 -0.06 0.00 1.22 0.00 0.00 56.10 56.57 2pk2 s TRP 210 Cb -0.02 -1.63 0.19 0.00 -1.50 0.00 0.00 33.47 30.51 2pk2 s TRP 210 CO 0.34 0.26 0.81 -2.00 -4.62 0.00 0.00 176.95 171.75 2pk2 s GLU 211 N -3.81 0.38 -0.48 5.86 2.56 -1.26 -4.69 118.70 117.25 2pk2 s GLU 211 Ca 0.18 0.59 -0.25 0.00 0.00 0.00 0.00 54.97 55.48 2pk2 s GLU 211 Cb 0.05 0.32 0.03 0.00 2.00 0.00 0.00 34.13 36.53 2pk2 s GLU 211 CO 0.09 -0.49 0.95 0.42 -0.56 0.00 0.00 175.26 175.67 2pk2 s ILE 212 N 2.90 4.43 0.17 -3.70 1.01 -1.26 -5.00 121.20 119.76 2pk2 s ILE 212 Ca 0.12 0.68 -0.33 0.00 0.00 0.00 0.00 60.65 61.12 2pk2 s ILE 212 Cb -0.11 -4.47 -0.14 0.00 0.01 0.00 0.00 42.46 37.75 2pk2 s ILE 212 CO -0.18 -0.91 1.49 -2.65 0.00 0.00 0.00 174.94 172.68 2pk2 n PRO 213 N 7.29 1.95 -0.10 2.79 -0.02 -1.26 -4.93 135.00 140.72 2pk2 n PRO 213 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2pk2 n PRO 213 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2pk2 n PRO 213 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pk2 n VAL 214 N 2.82 0.00 -1.38 -1.45 0.31 -1.26 -5.09 118.33 112.29 2pk2 n VAL 214 Ca 0.16 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 64.03 2pk2 n VAL 214 Cb 0.28 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.19 2pk2 n VAL 214 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2pk2 n SER 215 N -0.06 -1.66 -1.71 4.52 7.64 -1.26 -4.93 113.62 116.15 2pk2 n SER 215 Ca 0.00 1.04 0.09 0.00 1.01 0.00 0.00 58.87 61.00 2pk2 n SER 215 Cb 0.00 -0.94 0.38 0.00 -1.01 0.00 0.00 64.21 62.64 2pk2 n SER 215 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pk2 n THR 216 N -0.30 2.14 -0.08 0.44 -1.04 -1.26 -4.38 114.28 109.81 2pk2 n THR 216 Ca 0.16 -1.26 -0.05 0.00 -2.04 0.00 0.00 64.05 60.86 2pk2 n THR 216 Cb 0.30 -0.01 -0.16 0.00 -1.82 0.00 0.00 70.33 68.64 2pk2 n THR 216 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2pk2 n ASP 217 N 1.00 0.15 0.00 8.00 5.68 -1.26 -4.99 116.55 125.13 2pk2 n ASP 217 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 2pk2 n ASP 217 Cb 1.00 1.22 0.00 0.00 -1.14 0.00 0.00 41.12 42.20 2pk2 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pk2 n GLY 218 N 1.67 1.31 3.97 6.12 0.00 -1.26 -5.12 105.19 111.88 2pk2 n GLY 218 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 2pk2 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pk2 s LYS 219 N 0.00 2.72 0.49 1.61 1.02 -1.26 -5.10 119.74 119.22 2pk2 s LYS 219 Ca 0.00 -0.71 0.07 0.00 0.02 0.00 0.00 55.97 55.36 2pk2 s LYS 219 Cb 0.00 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2pk2 s LYS 219 CO 0.00 -0.56 0.47 -1.01 -0.92 0.00 0.00 175.35 173.34 2pk2 s HIS 220 N -2.68 2.11 -0.50 3.18 3.76 -1.26 -4.18 115.29 115.72 2pk2 s HIS 220 Ca 0.54 -0.65 0.24 0.00 -0.15 0.00 0.00 55.06 55.04 2pk2 s HIS 220 Cb -0.10 -2.10 0.39 0.00 1.11 0.00 0.00 32.58 31.87 2pk2 s HIS 220 CO 0.38 -0.45 1.51 0.11 -0.85 0.00 0.00 174.74 175.44 2pk2 h TRP 221 N 0.76 0.00 -0.04 1.40 5.08 -1.98 -3.02 115.95 118.14 2pk2 h TRP 221 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.59 2pk2 h TRP 221 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 2pk2 h TRP 221 CO 0.65 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 175.14 2pk2 n TRP 222 N -2.71 0.05 0.07 0.12 2.14 -1.26 -3.19 117.44 112.67 2pk2 n TRP 222 Ca 0.04 -0.03 0.11 0.00 2.07 0.00 0.00 57.50 59.69 2pk2 n TRP 222 Cb 0.50 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.86 2pk2 n TRP 222 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2pk2 n GLU 223 N -0.50 0.61 0.08 -2.67 1.02 -1.14 -4.07 120.64 113.97 2pk2 n GLU 223 Ca 0.15 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 2pk2 n GLU 223 Cb 0.14 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 2pk2 n GLU 223 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2pk2 h TYR 224 N 0.00 -0.26 -0.11 -0.32 -1.99 -1.67 -1.69 116.97 110.93 2pk2 h TYR 224 Ca 0.00 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.76 2pk2 h TYR 224 Cb 0.97 0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 2pk2 h TYR 224 CO 0.00 0.13 0.09 -0.39 -0.00 0.00 0.00 178.16 177.99 2pk2 h VAL 225 N -0.89 0.85 -1.71 -2.88 -1.51 -1.79 -3.41 116.25 104.90 2pk2 h VAL 225 Ca -0.03 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.54 2pk2 h VAL 225 Cb 0.50 0.94 -0.22 0.00 -2.13 0.00 0.00 31.29 30.38 2pk2 h VAL 225 CO 0.05 0.00 0.04 -0.62 -1.23 0.00 0.00 177.57 175.81 2pk2 s ASP 226 N -6.69 -0.90 0.00 4.19 -1.08 -1.17 -4.77 116.67 106.25 2pk2 s ASP 226 Ca -0.05 1.29 0.11 0.00 -0.52 0.00 0.00 52.55 53.38 2pk2 s ASP 226 Cb 0.17 1.84 0.54 0.00 -1.46 0.00 0.00 42.92 44.01 2pk2 s ASP 226 CO 0.65 -0.19 1.37 0.00 0.52 0.00 0.00 175.17 177.52 2pk2 n ALA 227 N 4.90 2.53 -0.10 3.66 0.00 -0.64 -3.50 120.51 127.36 2pk2 n ALA 227 Ca -0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 2pk2 n ALA 227 Cb 0.53 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 2pk2 n ALA 227 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pk2 n THR 228 N -0.34 1.20 -1.40 0.00 -2.24 -1.26 -5.01 114.28 105.23 2pk2 n THR 228 Ca 0.09 -0.61 -0.44 0.00 -2.27 0.00 0.00 64.05 60.82 2pk2 n THR 228 Cb 0.11 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 67.46 2pk2 n THR 228 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pk2 n VAL 229 N -2.86 1.50 -4.61 2.28 0.31 -1.23 -5.01 118.33 108.72 2pk2 n VAL 229 Ca -0.33 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.23 2pk2 n VAL 229 Cb 0.99 -0.25 -0.11 0.00 -0.91 0.00 0.00 33.84 33.56 2pk2 n VAL 229 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2pk2 s THR 230 N -1.36 1.94 -0.15 2.52 2.01 -1.26 -4.88 115.64 114.47 2pk2 s THR 230 Ca 0.62 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.47 2pk2 s THR 230 Cb -0.72 -2.98 -0.24 0.00 0.01 0.00 0.00 72.50 68.56 2pk2 s THR 230 CO 0.59 0.00 0.37 0.25 -0.69 0.00 0.00 174.62 175.14 2pk2 h LEU 231 N 1.79 0.26 -0.50 4.42 5.85 -1.98 -2.70 115.31 122.45 2pk2 h LEU 231 Ca -0.44 -0.77 0.08 0.00 0.84 0.00 0.00 57.88 57.59 2pk2 h LEU 231 Cb 1.24 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 2pk2 h LEU 231 CO 0.80 1.66 0.11 -0.33 -0.34 0.00 0.00 178.44 180.34 2pk2 h GLU 232 N -0.42 0.24 -0.33 1.25 5.08 -1.99 -0.44 114.58 117.97 2pk2 h GLU 232 Ca -0.36 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 2pk2 h GLU 232 Cb 1.69 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 2pk2 h GLU 232 CO -0.02 0.16 -0.18 1.25 -1.00 0.00 0.00 179.01 179.22 2pk2 h LEU 233 N 0.25 0.60 -0.22 1.33 5.85 -1.96 1.20 115.31 122.35 2pk2 h LEU 233 Ca 0.25 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2pk2 h LEU 233 Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2pk2 h LEU 233 CO -0.32 0.78 0.07 -0.07 -0.34 0.00 0.00 178.44 178.56 2pk2 h LEU 234 N 0.54 0.07 -0.12 2.25 4.07 -0.80 0.45 115.31 121.79 2pk2 h LEU 234 Ca 0.09 0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.87 2pk2 h LEU 234 Cb 0.61 0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.38 2pk2 h LEU 234 CO 0.04 0.07 -0.71 0.44 -1.08 0.00 0.00 178.44 177.21 2pk2 h ASP 235 N 0.17 0.83 -0.95 -0.43 3.32 -0.95 -2.52 116.42 115.89 2pk2 h ASP 235 Ca 0.10 -0.65 0.21 0.00 0.02 0.00 0.00 57.03 56.71 2pk2 h ASP 235 Cb 0.07 -0.25 -0.12 0.00 0.22 0.00 0.00 39.33 39.26 2pk2 h ASP 235 CO -0.10 1.35 0.51 -0.08 -1.72 0.00 0.00 179.24 179.19 2pk2 h GLU 236 N 0.37 0.54 0.06 3.56 4.81 0.20 -0.17 114.58 123.94 2pk2 h GLU 236 Ca -0.06 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.89 2pk2 h GLU 236 Cb 1.35 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2pk2 h GLU 236 CO 0.15 0.35 -1.22 -0.07 -0.73 0.00 0.00 179.01 177.49 2pk2 h LEU 237 N 0.55 0.20 -1.65 1.64 3.38 -0.16 -3.32 115.31 115.96 2pk2 h LEU 237 Ca 0.58 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2pk2 h LEU 237 Cb 1.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2pk2 h LEU 237 CO -0.46 1.19 0.25 0.74 0.09 0.00 0.00 178.44 180.25 2pk2 h THR 238 N 0.04 1.07 -0.07 0.22 2.02 -0.59 0.33 112.91 115.94 2pk2 h THR 238 Ca -0.11 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2pk2 h THR 238 Cb 1.89 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2pk2 h THR 238 CO 0.16 0.09 -0.02 -0.74 0.37 0.00 0.00 175.52 175.37 2pk2 h HIS 239 N 0.47 0.15 0.60 3.16 -0.00 -1.48 1.00 115.15 119.05 2pk2 h HIS 239 Ca 0.14 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2pk2 h HIS 239 Cb 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2pk2 h HIS 239 CO -0.00 0.47 -0.29 1.49 -0.00 0.00 0.00 177.93 179.60 2pk2 h GLU 240 N -0.22 -0.78 -0.36 5.26 4.81 -1.53 0.33 114.58 122.09 2pk2 h GLU 240 Ca 0.02 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2pk2 h GLU 240 Cb 0.42 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 2pk2 h GLU 240 CO 0.01 -0.51 -0.42 0.35 -0.73 0.00 0.00 179.01 177.71 2pk2 h PHE 241 N -0.85 -1.30 -0.49 0.92 -0.00 -0.33 1.47 116.94 116.36 2pk2 h PHE 241 Ca -0.08 0.07 0.05 0.00 -0.00 0.00 0.00 57.97 58.01 2pk2 h PHE 241 Cb 0.64 0.61 -0.05 0.00 -0.00 0.00 0.00 35.95 37.15 2pk2 h PHE 241 CO -0.03 -0.36 0.22 -0.07 -0.00 0.00 0.00 178.31 178.08 2pk2 h LEU 242 N -0.26 0.28 -0.90 0.59 3.38 -0.85 -2.22 115.31 115.33 2pk2 h LEU 242 Ca 0.06 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2pk2 h LEU 242 Cb 0.43 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2pk2 h LEU 242 CO -0.48 0.20 0.60 -0.61 0.09 0.00 0.00 178.44 178.23 2pk2 h GLN 243 N 0.43 1.17 0.00 1.13 -0.00 0.35 1.47 115.11 119.66 2pk2 h GLN 243 Ca 0.22 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 2pk2 h GLN 243 Cb 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 27.39 2pk2 h GLN 243 CO -0.18 0.77 0.00 0.82 0.00 0.00 0.00 178.83 180.24 2pk2 h ILE 244 N 1.20 0.00 0.00 2.39 1.08 0.26 0.53 117.51 122.97 2pk2 h ILE 244 Ca 0.34 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 2pk2 h ILE 244 Cb -0.11 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2pk2 h ILE 244 CO -0.08 0.00 -0.66 0.18 -0.69 0.00 0.00 178.15 176.89 2pk2 n LEU 245 N -2.79 0.36 0.00 1.44 4.32 -0.33 -4.24 117.00 115.75 2pk2 n LEU 245 Ca -0.01 -0.39 0.14 0.00 -0.02 0.00 0.00 56.01 55.72 2pk2 n LEU 245 Cb 0.12 0.00 0.76 0.00 -1.62 0.00 0.00 43.42 42.68 2pk2 n LEU 245 CO 0.19 0.09 0.99 1.21 -1.22 0.00 0.00 177.39 178.65 2pk2 n GLU 246 N -1.36 0.60 0.00 3.23 4.07 0.49 -3.01 120.64 124.66 2pk2 n GLU 246 Ca 0.01 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2pk2 n GLU 246 Cb 0.17 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 2pk2 n GLU 246 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2pk2 n LYS 247 N -1.17 0.00 -3.12 5.31 4.76 -0.79 -4.89 118.16 118.26 2pk2 n LYS 247 Ca 0.16 -0.40 -0.45 0.00 -2.87 0.00 0.00 58.31 54.75 2pk2 n LYS 247 Cb 0.17 -0.72 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 2pk2 n LYS 247 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2pk2 s THR 248 N -0.11 5.37 -2.00 -0.18 2.01 -1.16 -4.88 115.64 114.68 2pk2 s THR 248 Ca 0.00 -2.67 0.08 0.00 0.31 0.00 0.00 61.69 59.41 2pk2 s THR 248 Cb 0.00 -4.73 0.23 0.00 0.01 0.00 0.00 72.50 68.01 2pk2 s THR 248 CO 0.00 -1.38 1.27 -0.81 -0.69 0.00 0.00 174.62 173.01 2pk2 n PRO 249 N 4.64 0.95 -0.06 4.92 -0.04 -1.26 -0.37 135.00 143.77 2pk2 n PRO 249 Ca 0.27 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2pk2 n PRO 249 Cb 0.43 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 2pk2 n PRO 249 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pk2 n ASN 250 N -0.63 1.45 0.22 3.54 4.13 -1.26 -4.53 115.26 118.17 2pk2 n ASN 250 Ca 0.06 0.32 0.12 0.00 1.68 0.00 0.00 54.58 56.77 2pk2 n ASN 250 Cb 0.03 -0.71 0.22 0.00 -1.54 0.00 0.00 39.78 37.78 2pk2 n ASN 250 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2pk2 h ARG 251 N -0.76 0.00 0.25 3.52 9.65 -1.93 -3.33 114.38 121.78 2pk2 h ARG 251 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2pk2 h ARG 251 Cb 0.67 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2pk2 h ARG 251 CO 0.00 0.00 -0.12 1.25 2.80 0.00 0.00 179.97 183.90 2pk2 h LEU 252 N 0.00 -0.29 -0.81 3.80 5.85 -0.91 -3.04 115.31 119.91 2pk2 h LEU 252 Ca 0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.91 2pk2 h LEU 252 Cb 0.95 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.94 2pk2 h LEU 252 CO 0.00 -0.10 0.28 0.50 -0.34 0.00 0.00 178.44 178.77 2pk2 h LYS 253 N -0.54 0.33 -0.24 1.25 3.64 -1.76 0.89 116.57 120.13 2pk2 h LYS 253 Ca -0.03 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2pk2 h LYS 253 Cb 0.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2pk2 h LYS 253 CO 0.06 0.22 0.20 0.00 -2.27 0.00 0.00 179.45 177.66 2pk2 h ARG 254 N 0.34 0.00 -0.03 1.90 3.08 -1.67 1.65 114.38 119.65 2pk2 h ARG 254 Ca 0.48 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.27 2pk2 h ARG 254 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.92 2pk2 h ARG 254 CO -0.52 0.00 -0.99 0.82 -1.07 0.00 0.00 179.97 178.21 2pk2 h ILE 255 N 0.00 1.28 -0.44 2.04 2.04 0.82 -2.35 117.51 120.91 2pk2 h ILE 255 Ca 0.11 -2.20 -0.06 0.00 1.00 0.00 0.00 64.86 63.71 2pk2 h ILE 255 Cb 0.52 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2pk2 h ILE 255 CO -0.00 0.68 0.02 -0.50 0.00 0.00 0.00 178.15 178.35 2pk2 h TRP 256 N 0.42 0.73 0.00 1.37 4.06 0.26 -2.57 115.95 120.22 2pk2 h TRP 256 Ca -0.11 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.68 2pk2 h TRP 256 Cb 1.64 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.58 2pk2 h TRP 256 CO 0.10 0.67 -0.35 -0.91 -3.56 0.00 0.00 178.44 174.39 2pk2 h ASN 257 N 0.66 0.00 0.60 -3.49 4.21 0.20 -3.08 115.58 114.68 2pk2 h ASN 257 Ca 0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 2pk2 h ASN 257 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2pk2 h ASN 257 CO 0.01 0.35 0.00 -0.25 -1.29 0.00 0.00 177.43 176.25 2pk2 h TRP 258 N 0.00 0.00 -0.42 1.19 7.01 -0.99 -1.70 115.95 121.04 2pk2 h TRP 258 Ca -0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2pk2 h TRP 258 Cb 1.25 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 2pk2 h TRP 258 CO 0.00 0.00 0.02 -2.13 -2.79 0.00 0.00 178.44 173.54 2pk2 n ARG 259 N -3.01 3.76 0.05 2.65 0.63 -1.16 -4.37 116.66 115.21 2pk2 n ARG 259 Ca -0.01 -3.01 -0.23 0.00 -0.92 0.00 0.00 57.85 53.69 2pk2 n ARG 259 Cb 0.21 -2.05 -0.15 0.00 0.45 0.00 0.00 32.46 30.92 2pk2 n ARG 259 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2pk2 h ALA 260 N 2.73 0.22 -1.30 5.13 0.00 -1.39 -3.35 119.26 121.31 2pk2 h ALA 260 Ca 0.02 -1.20 -0.73 0.00 0.00 0.00 0.00 54.91 53.01 2pk2 h ALA 260 Cb 1.74 0.52 -0.32 0.00 0.00 0.00 0.00 17.79 19.73 2pk2 h ALA 260 CO 0.37 1.08 0.53 0.00 0.00 0.00 0.00 179.25 181.23 2pk2 n GLU 262 N -0.38 0.16 0.00 0.00 1.02 -1.26 -5.11 120.64 115.07 2pk2 n GLU 262 Ca 0.47 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2pk2 n GLU 262 Cb 0.34 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2pk2 n GLU 262 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31