#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk2 n ASN 9 N 0.00 0.00 -2.89 1.20 4.13 -1.26 -5.06 115.26 111.38 2pk2 n ASN 9 Ca 0.00 0.29 -0.10 0.00 1.68 0.00 0.00 54.58 56.45 2pk2 n ASN 9 Cb 0.00 -0.27 0.02 0.00 -1.54 0.00 0.00 39.78 37.99 2pk2 n ASN 9 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2pk2 s LYS 10 N -0.59 2.24 0.00 3.52 2.20 -1.26 -4.84 119.74 121.01 2pk2 s LYS 10 Ca 0.00 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 2pk2 s LYS 10 Cb 0.00 0.61 0.00 0.00 -1.51 0.00 0.00 37.83 36.93 2pk2 s LYS 10 CO 0.00 -1.04 0.00 0.54 -0.36 0.00 0.00 175.35 174.49 2pk2 n ARG 11 N -0.54 -0.40 0.00 4.03 1.74 -1.26 -4.60 116.66 115.63 2pk2 n ARG 11 Ca -0.08 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2pk2 n ARG 11 Cb 0.60 -3.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 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 -2.46 0.00 -1.98 -1.55 7.02 -1.26 -4.81 117.44 112.40 2pk2 n TRP 12 Ca 0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.10 2pk2 n TRP 12 Cb 0.10 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.98 2pk2 n TRP 12 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2pk2 n TYR 13 N -2.03 2.49 -1.10 -5.99 4.01 -1.25 -4.00 117.16 109.30 2pk2 n TYR 13 Ca 0.00 -2.68 -0.34 0.00 -0.16 0.00 0.00 57.90 54.72 2pk2 n TYR 13 Cb 0.36 -1.72 0.12 0.00 -0.31 0.00 0.00 39.34 37.79 2pk2 n TYR 13 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2pk2 n PHE 14 N 1.43 0.59 -1.72 -0.72 3.72 -0.22 -4.88 117.46 115.66 2pk2 n PHE 14 Ca 0.59 0.38 -0.30 0.00 -0.05 0.00 0.00 57.45 58.07 2pk2 n PHE 14 Cb 0.29 -2.04 0.05 0.00 -0.94 0.00 0.00 39.48 36.84 2pk2 n PHE 14 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2pk2 s THR 15 N -2.12 3.75 0.57 4.37 -1.32 -1.26 -4.54 115.64 115.09 2pk2 s THR 15 Ca 0.70 0.57 0.25 0.00 -1.21 0.00 0.00 61.69 62.00 2pk2 s THR 15 Cb -0.29 -3.44 0.33 0.00 -1.51 0.00 0.00 72.50 67.59 2pk2 s THR 15 CO 0.54 -0.74 2.22 0.08 -2.21 0.00 0.00 174.62 174.51 2pk2 h ARG 16 N -0.72 0.00 -0.11 7.08 0.11 -1.95 -0.34 114.38 118.46 2pk2 h ARG 16 Ca -0.45 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.41 2pk2 h ARG 16 Cb 1.23 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.32 2pk2 h ARG 16 CO 0.61 0.00 -0.81 0.93 0.10 0.00 0.00 179.97 180.80 2pk2 h GLU 17 N 0.00 0.69 -0.10 0.08 5.08 -2.00 -2.99 114.58 115.33 2pk2 h GLU 17 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2pk2 h GLU 17 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2pk2 h GLU 17 CO 0.00 1.20 0.00 1.04 -1.00 0.00 0.00 179.01 180.25 2pk2 n GLN 18 N -3.90 1.28 -0.03 2.33 6.02 -0.21 -3.31 117.38 119.56 2pk2 n GLN 18 Ca -0.07 -0.43 -0.07 0.00 -0.01 0.00 0.00 57.00 56.43 2pk2 n GLN 18 Cb 0.76 -1.18 -0.02 0.00 1.02 0.00 0.00 30.24 30.81 2pk2 n GLN 18 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2pk2 n LEU 19 N -0.23 0.92 0.32 1.08 -0.00 -0.77 -4.53 117.00 113.78 2pk2 n LEU 19 Ca 0.08 0.06 0.19 0.00 -0.00 0.00 0.00 56.01 56.34 2pk2 n LEU 19 Cb 0.13 -0.20 1.05 0.00 -0.00 0.00 0.00 43.42 44.40 2pk2 n LEU 19 CO 0.06 0.22 1.15 -0.08 -0.00 0.00 0.00 177.39 178.74 2pk2 h GLU 20 N -0.19 0.00 -2.08 1.96 4.57 -1.63 -2.56 114.58 114.66 2pk2 h GLU 20 Ca -0.16 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.43 2pk2 h GLU 20 Cb 1.16 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.33 2pk2 h GLU 20 CO -0.09 0.00 -0.66 -1.71 -1.18 0.00 0.00 179.01 175.37 2pk2 n ASN 21 N -3.49 4.56 -4.70 1.04 2.85 -1.21 -4.77 115.26 109.56 2pk2 n ASN 21 Ca -0.03 -3.70 -0.30 0.00 -0.11 0.00 0.00 54.58 50.44 2pk2 n ASN 21 Cb 0.08 -0.53 0.15 0.00 1.24 0.00 0.00 39.78 40.72 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 -3.49 3.29 0.54 1.20 0.01 -0.97 -4.78 113.70 109.51 2pk2 s SER 22 Ca 0.49 1.62 0.25 0.00 1.31 0.00 0.00 55.95 59.62 2pk2 s SER 22 Cb 0.31 -2.28 1.43 0.00 0.21 0.00 0.00 66.02 65.69 2pk2 s SER 22 CO -0.15 -2.77 2.03 -0.65 0.41 0.00 0.00 173.24 172.11 2pk2 h PRO 23 N -1.64 0.00 0.00 12.44 0.11 -1.85 1.08 132.00 142.14 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pk2 h PRO 23 CO 0.52 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.08 2pk2 h SER 24 N 0.00 0.00 0.05 -2.05 0.02 -1.88 -3.09 113.55 106.60 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 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2pk2 h SER 24 CO -0.00 0.00 -0.02 0.03 -1.14 0.00 0.00 176.83 175.69 2pk2 h ARG 25 N 0.00 -0.06 -1.26 3.45 -0.00 0.99 -3.15 114.38 114.33 2pk2 h ARG 25 Ca 0.00 0.00 0.37 0.00 -0.50 0.00 0.00 59.98 59.85 2pk2 h ARG 25 Cb 0.38 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.31 2pk2 h ARG 25 CO 0.00 0.41 1.13 0.00 0.00 0.00 0.00 179.97 181.51 2pk2 h ARG 26 N -0.56 0.00 0.04 0.04 3.08 -1.44 -0.90 114.38 114.63 2pk2 h ARG 26 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 2pk2 h ARG 26 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2pk2 h ARG 26 CO 0.01 0.00 -1.42 0.74 -1.07 0.00 0.00 179.97 178.23 2pk2 h PHE 27 N 0.00 0.15 0.00 3.04 0.04 -1.66 -3.49 116.94 115.01 2pk2 h PHE 27 Ca 0.60 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 61.26 2pk2 h PHE 27 Cb 2.86 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 41.00 2pk2 h PHE 27 CO 0.00 1.56 0.00 0.41 -0.60 0.00 0.00 178.31 179.68 2pk2 n GLY 28 N 1.59 -0.32 2.88 -1.45 0.00 -0.34 -5.16 105.19 102.38 2pk2 n GLY 28 Ca -0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 0.64 0.36 1.61 1.01 -1.19 -5.05 120.40 117.77 2pk2 s VAL 29 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 2pk2 s VAL 29 Cb 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.58 2pk2 s VAL 29 CO 0.00 0.27 1.26 0.47 0.00 0.00 0.00 175.10 177.10 2pk2 n ASP 30 N 4.40 2.59 -0.34 3.32 8.00 -1.26 -4.52 116.55 128.74 2pk2 n ASP 30 Ca -0.19 1.18 0.07 0.00 0.71 0.00 0.00 54.79 56.56 2pk2 n ASP 30 Cb 0.51 -1.47 0.23 0.00 -0.02 0.00 0.00 41.12 40.37 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 2.38 0.84 -0.04 -0.24 0.13 -1.97 0.83 132.00 133.94 2pk2 h PRO 31 Ca -0.46 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 2pk2 h PRO 31 Cb 1.29 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2pk2 h PRO 31 CO 0.62 0.55 -0.80 -0.44 -0.23 0.00 0.00 178.00 177.70 2pk2 h ASP 32 N 0.86 0.40 0.55 1.44 3.32 -1.96 -0.77 116.42 120.27 2pk2 h ASP 32 Ca 0.48 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2pk2 h ASP 32 Cb 0.55 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2pk2 h ASP 32 CO -0.29 1.05 -0.27 0.50 -1.72 0.00 0.00 179.24 178.51 2pk2 h LYS 33 N 0.21 -0.72 -0.63 3.56 1.63 -1.53 1.37 116.57 120.46 2pk2 h LYS 33 Ca -0.04 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.92 2pk2 h LYS 33 Cb 1.40 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 33.15 2pk2 h LYS 33 CO 0.13 -0.41 0.43 1.49 -3.45 0.00 0.00 179.45 177.64 2pk2 h GLU 34 N -0.97 0.38 0.00 1.90 4.81 0.55 1.82 114.58 123.07 2pk2 h GLU 34 Ca -0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2pk2 h GLU 34 Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2pk2 h GLU 34 CO 0.12 0.25 -0.26 1.25 -0.73 0.00 0.00 179.01 179.64 2pk2 h LEU 35 N 0.39 0.00 0.17 1.64 5.85 -0.79 0.30 115.31 122.87 2pk2 h LEU 35 Ca 0.30 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.75 2pk2 h LEU 35 Cb 0.64 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.70 2pk2 h LEU 35 CO -0.08 0.26 -1.15 -1.28 -0.34 0.00 0.00 178.44 175.86 2pk2 h SER 36 N 0.00 0.71 0.12 1.25 0.87 1.26 -3.14 113.55 114.62 2pk2 h SER 36 Ca -0.00 -0.90 0.01 0.00 -1.23 0.00 0.00 61.79 59.67 2pk2 h SER 36 Cb 0.59 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2pk2 h SER 36 CO 0.03 1.55 -0.21 1.88 -0.53 0.00 0.00 176.83 179.55 2pk2 h TYR 37 N -0.02 -0.56 0.00 2.24 -1.99 0.23 -2.28 116.97 114.59 2pk2 h TYR 37 Ca -0.19 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.55 2pk2 h TYR 37 Cb 1.88 0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.84 2pk2 h TYR 37 CO 0.15 -0.31 0.00 0.54 -0.00 0.00 0.00 178.16 178.54 2pk2 n ARG 38 N -5.34 0.00 -0.29 4.88 1.74 0.10 0.19 116.66 117.94 2pk2 n ARG 38 Ca -0.07 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 2pk2 n ARG 38 Cb 0.25 -1.19 0.27 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.21 -0.27 5.56 4.20 -1.65 1.59 115.11 124.75 2pk2 h GLN 39 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2pk2 h GLN 39 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2pk2 h GLN 39 CO 0.00 0.14 0.15 1.96 -0.67 0.00 0.00 178.83 180.41 2pk2 h GLN 40 N 0.21 0.37 0.00 1.46 4.20 -1.12 0.10 115.11 120.33 2pk2 h GLN 40 Ca 0.53 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 2pk2 h GLN 40 Cb 1.04 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 2pk2 h GLN 40 CO -0.64 0.31 -0.06 0.00 -0.67 0.00 0.00 178.83 177.77 2pk2 h ALA 41 N 1.04 1.83 0.00 3.87 0.00 0.77 -0.16 119.26 126.61 2pk2 h ALA 41 Ca 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2pk2 h ALA 41 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pk2 h ALA 41 CO -0.02 0.08 -0.32 0.00 0.00 0.00 0.00 179.25 178.99 2pk2 h ALA 42 N 1.94 1.02 0.00 0.00 0.00 0.33 -2.84 119.26 119.70 2pk2 h ALA 42 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2pk2 h ALA 42 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pk2 h ALA 42 CO 0.01 0.40 -0.23 -0.97 0.00 0.00 0.00 179.25 178.46 2pk2 h ASN 43 N 0.00 0.00 -0.45 0.00 -1.24 0.11 -2.38 115.58 111.62 2pk2 h ASN 43 Ca -0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 2pk2 h ASN 43 Cb 0.83 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.74 2pk2 h ASN 43 CO 0.04 0.23 0.29 -0.11 -1.29 0.00 0.00 177.43 176.59 2pk2 n LEU 44 N -3.55 4.66 0.00 0.34 7.94 -1.07 -3.19 117.00 122.14 2pk2 n LEU 44 Ca -0.01 -2.44 0.00 0.00 -1.11 0.00 0.00 56.01 52.46 2pk2 n LEU 44 Cb 0.38 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.68 2pk2 n LEU 44 CO 0.33 0.74 0.00 -0.11 -1.11 0.00 0.00 177.39 177.24 2pk2 n LEU 45 N -0.23 0.00 -0.08 -1.96 0.00 -0.93 -4.61 117.00 109.19 2pk2 n LEU 45 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 56.11 2pk2 n LEU 45 Cb 1.03 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 44.31 2pk2 n LEU 45 CO 0.27 0.00 -1.12 1.67 0.00 0.00 0.00 177.39 178.21 2pk2 n GLN 46 N -1.33 0.68 0.00 1.96 -0.06 -1.03 -2.78 117.38 114.83 2pk2 n GLN 46 Ca 0.00 0.17 0.14 0.00 -2.00 0.00 0.00 57.00 55.31 2pk2 n GLN 46 Cb 0.00 -1.59 0.55 0.00 -4.06 0.00 0.00 30.24 25.14 2pk2 n GLN 46 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2pk2 n ASP 47 N -3.23 0.80 -0.12 1.69 8.00 -1.19 -1.86 116.55 120.64 2pk2 n ASP 47 Ca -0.38 -0.89 -0.27 0.00 0.71 0.00 0.00 54.79 53.96 2pk2 n ASP 47 Cb 1.03 0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 2pk2 n ASP 47 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2pk2 n MET 48 N -0.64 0.58 0.25 -1.24 1.56 -1.26 -4.31 117.12 112.07 2pk2 n MET 48 Ca 0.15 0.38 0.17 0.00 -0.27 0.00 0.00 57.70 58.13 2pk2 n MET 48 Cb 0.30 -1.59 0.78 0.00 2.15 0.00 0.00 33.22 34.86 2pk2 n MET 48 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2pk2 h GLY 49 N -0.91 0.00 2.00 -5.12 0.00 -1.59 -0.72 103.07 96.72 2pk2 h GLY 49 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2pk2 h GLY 49 CO -0.33 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.67 2pk2 h GLN 50 N 0.00 0.00 0.05 4.80 4.20 -1.56 -2.56 115.11 120.05 2pk2 h GLN 50 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 2pk2 h GLN 50 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2pk2 h GLN 50 CO 0.00 0.00 -1.66 0.00 -0.67 0.00 0.00 178.83 176.50 2pk2 h ARG 51 N 0.00 0.11 -0.00 1.46 3.08 -1.34 -3.36 114.38 114.33 2pk2 h ARG 51 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2pk2 h ARG 51 Cb 0.31 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2pk2 h ARG 51 CO 0.00 0.82 -0.08 1.28 -1.07 0.00 0.00 179.97 180.92 2pk2 n LEU 52 N -3.25 0.50 -1.91 3.04 4.77 -0.97 -4.90 117.00 114.28 2pk2 n LEU 52 Ca -0.18 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 2pk2 n LEU 52 Cb 1.04 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 2pk2 n LEU 52 CO 0.46 0.09 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.19 2pk2 n ASN 53 N -0.86 -5.09 -4.86 -1.43 4.05 -1.19 -4.99 115.26 100.90 2pk2 n ASN 53 Ca 0.16 0.03 -0.31 0.00 0.45 0.00 0.00 54.58 54.91 2pk2 n ASN 53 Cb 0.26 -4.17 -0.01 0.00 1.23 0.00 0.00 39.78 37.09 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 -2.84 4.66 0.30 3.44 0.11 -1.20 -5.00 120.40 119.86 2pk2 s VAL 54 Ca 0.00 0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 59.70 2pk2 s VAL 54 Cb 0.00 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 30.93 2pk2 s VAL 54 CO 0.00 -0.91 1.58 -0.55 -3.33 0.00 0.00 175.10 171.88 2pk2 s SER 55 N -3.68 6.39 0.30 3.54 0.15 -1.26 -4.89 113.70 114.25 2pk2 s SER 55 Ca 0.56 2.94 0.06 0.00 0.70 0.00 0.00 55.95 60.21 2pk2 s SER 55 Cb -0.10 -2.64 0.76 0.00 -1.71 0.00 0.00 66.02 62.33 2pk2 s SER 55 CO 0.43 -0.90 1.76 -0.61 1.20 0.00 0.00 173.24 175.12 2pk2 h GLN 56 N 4.73 0.65 0.00 5.44 5.75 -1.98 0.79 115.11 130.49 2pk2 h GLN 56 Ca -0.47 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 2pk2 h GLN 56 Cb 1.22 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 2pk2 h GLN 56 CO 0.78 0.43 -0.12 1.37 -2.65 0.00 0.00 178.83 178.65 2pk2 h LEU 57 N 0.67 0.00 -1.18 -2.39 -0.00 -2.00 -3.11 115.31 107.30 2pk2 h LEU 57 Ca 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.38 2pk2 h LEU 57 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 2pk2 h LEU 57 CO -0.42 0.12 -0.39 0.74 -0.00 0.00 0.00 178.44 178.49 2pk2 h THR 58 N 0.00 1.28 0.14 0.15 2.02 0.25 -2.56 112.91 114.19 2pk2 h THR 58 Ca -0.00 -1.36 -0.33 0.00 0.77 0.00 0.00 66.41 65.49 2pk2 h THR 58 Cb 0.94 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 2pk2 h THR 58 CO 0.02 0.39 -1.72 0.40 0.37 0.00 0.00 175.52 174.98 2pk2 h ILE 59 N 0.04 0.86 -0.88 3.11 2.04 -1.53 -3.35 117.51 117.80 2pk2 h ILE 59 Ca 0.00 -2.41 0.19 0.00 1.00 0.00 0.00 64.86 63.64 2pk2 h ILE 59 Cb 0.70 2.64 -0.11 0.00 -0.74 0.00 0.00 36.82 39.32 2pk2 h ILE 59 CO 0.05 0.81 0.42 0.78 0.00 0.00 0.00 178.15 180.21 2pk2 h ASN 60 N -0.06 0.42 -0.02 1.72 2.35 -1.46 0.15 115.58 118.68 2pk2 h ASN 60 Ca -0.36 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 2pk2 h ASN 60 Cb 1.95 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.39 2pk2 h ASN 60 CO 0.10 0.10 -0.14 0.74 -1.65 0.00 0.00 177.43 176.58 2pk2 h THR 61 N 0.50 1.20 -0.01 2.81 2.02 -1.61 -2.32 112.91 115.50 2pk2 h THR 61 Ca 0.52 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2pk2 h THR 61 Cb 0.89 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2pk2 h THR 61 CO -0.46 0.28 0.00 0.00 0.37 0.00 0.00 175.52 175.71 2pk2 h ALA 62 N 1.57 0.02 -0.73 6.16 0.00 -0.84 0.42 119.26 125.85 2pk2 h ALA 62 Ca 0.06 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2pk2 h ALA 62 Cb 0.42 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2pk2 h ALA 62 CO 0.02 -0.33 0.49 0.82 0.00 0.00 0.00 179.25 180.26 2pk2 h ILE 63 N -0.28 0.78 -0.55 0.00 1.08 -1.27 1.75 117.51 119.02 2pk2 h ILE 63 Ca 0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2pk2 h ILE 63 Cb 0.31 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2pk2 h ILE 63 CO 0.00 0.06 0.34 0.58 -0.69 0.00 0.00 178.15 178.45 2pk2 h VAL 64 N 0.35 1.15 -0.05 1.67 2.07 -0.80 0.97 116.25 121.62 2pk2 h VAL 64 Ca 0.36 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 2pk2 h VAL 64 Cb 0.90 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2pk2 h VAL 64 CO -0.10 0.16 -0.64 1.88 0.02 0.00 0.00 177.57 178.88 2pk2 h TYR 65 N 0.76 0.73 -0.26 1.57 0.05 0.42 -2.18 116.97 118.06 2pk2 h TYR 65 Ca 0.20 -0.37 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 2pk2 h TYR 65 Cb -0.04 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 2pk2 h TYR 65 CO 0.00 1.17 0.07 1.98 -1.05 0.00 0.00 178.16 180.34 2pk2 h MET 66 N 0.09 0.41 -0.63 4.88 4.05 0.19 0.41 114.93 124.32 2pk2 h MET 66 Ca -0.07 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2pk2 h MET 66 Cb 1.31 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 2pk2 h MET 66 CO 0.13 0.49 0.42 0.45 0.23 0.00 0.00 176.91 178.63 2pk2 h HIS 67 N 0.25 0.68 0.07 1.39 3.86 0.90 -3.18 115.15 119.13 2pk2 h HIS 67 Ca 0.08 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.14 2pk2 h HIS 67 Cb 0.26 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2pk2 h HIS 67 CO 0.01 0.39 -0.83 0.00 0.86 0.00 0.00 177.93 178.35 2pk2 h ARG 68 N 0.70 0.16 -0.94 2.45 3.08 -0.99 -3.36 114.38 115.47 2pk2 h ARG 68 Ca 0.26 -0.27 0.27 0.00 0.07 0.00 0.00 59.98 60.31 2pk2 h ARG 68 Cb 0.15 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 30.13 2pk2 h ARG 68 CO -0.07 1.13 0.15 0.35 -1.07 0.00 0.00 179.97 180.46 2pk2 h PHE 69 N -0.62 0.18 -0.08 3.04 3.57 -0.18 0.36 116.94 123.22 2pk2 h PHE 69 Ca -0.18 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2pk2 h PHE 69 Cb 1.45 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2pk2 h PHE 69 CO 0.18 -0.36 0.00 0.66 -2.23 0.00 0.00 178.31 176.57 2pk2 n TYR 70 N -5.37 0.25 -0.16 0.41 4.01 -1.21 -3.19 117.16 111.90 2pk2 n TYR 70 Ca 0.24 -0.09 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 2pk2 n TYR 70 Cb 0.78 -0.14 0.30 0.00 -0.31 0.00 0.00 39.34 39.97 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 0.05 2.65 0.00 -0.72 2.81 0.13 -4.14 117.12 117.90 2pk2 n MET 71 Ca 0.03 -2.44 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 2pk2 n MET 71 Cb 0.34 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.42 0.00 -1.99 2.02 -0.00 -1.22 -4.92 119.36 114.67 2pk2 n ILE 72 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.98 2pk2 n ILE 72 Cb 0.59 0.09 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 3.82 -3.88 0.38 1.13 -1.19 -4.97 117.38 112.68 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 0.16 0.12 0.28 1.08 0.15 -1.26 -4.01 113.70 110.22 2pk2 s SER 74 Ca 0.00 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.30 2pk2 s SER 74 Cb 0.00 0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.72 2pk2 s SER 74 CO 0.00 -0.64 1.25 -0.26 1.20 0.00 0.00 173.24 174.79 2pk2 h PHE 75 N 3.12 0.00 -0.14 3.44 0.04 -1.94 -2.99 116.94 118.46 2pk2 h PHE 75 Ca -0.33 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.27 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 0.47 0.08 -0.56 1.79 -0.60 0.00 0.00 178.31 179.49 2pk2 h THR 76 N 0.00 1.33 0.06 -1.55 1.35 -1.95 -3.28 112.91 108.88 2pk2 h THR 76 Ca -0.01 -1.83 -0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2pk2 h THR 76 Cb 1.07 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2pk2 h THR 76 CO 0.01 0.56 -0.03 0.03 -0.25 0.00 0.00 175.52 175.84 2pk2 h ARG 77 N 0.28 -0.08 -4.24 4.72 3.08 -1.99 -3.42 114.38 112.73 2pk2 h ARG 77 Ca -0.03 0.01 -0.75 0.00 0.07 0.00 0.00 59.98 59.28 2pk2 h ARG 77 Cb 1.20 0.02 -0.23 0.00 0.08 0.00 0.00 29.97 31.03 2pk2 h ARG 77 CO 0.12 -0.05 -0.12 -0.06 -1.07 0.00 0.00 179.97 178.78 2pk2 s PHE 78 N -1.75 3.20 0.16 3.04 0.08 -1.13 -5.06 117.98 116.52 2pk2 s PHE 78 Ca -0.01 -1.23 -0.30 0.00 0.12 0.00 0.00 56.93 55.51 2pk2 s PHE 78 Cb 0.00 -3.86 -0.07 0.00 -0.57 0.00 0.00 43.02 38.52 2pk2 s PHE 78 CO 0.04 -1.09 1.15 -1.25 -0.10 0.00 0.00 175.22 173.97 2pk2 s PRO 79 N 1.85 4.52 0.52 0.24 0.04 -1.23 -4.21 135.00 136.73 2pk2 s PRO 79 Ca 0.06 1.79 0.28 0.00 0.04 0.00 0.00 61.00 63.16 2pk2 s PRO 79 Cb -0.28 -3.28 1.41 0.00 0.04 0.00 0.00 34.50 32.40 2pk2 s PRO 79 CO 0.03 -0.05 1.93 0.78 0.04 0.00 0.00 177.00 179.74 2pk2 h GLY 80 N 5.49 0.07 -0.84 0.56 0.00 -1.93 -1.36 103.07 105.05 2pk2 h GLY 80 Ca -0.44 -0.02 0.39 0.00 0.00 0.00 0.00 47.33 47.26 2pk2 h GLY 80 CO 0.75 0.00 0.60 3.43 0.00 0.00 0.00 176.54 181.32 2pk2 h ASN 81 N 0.03 0.38 0.00 0.19 2.35 -1.92 -1.79 115.58 114.82 2pk2 h ASN 81 Ca 0.36 0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 56.25 2pk2 h ASN 81 Cb 1.37 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 2pk2 h ASN 81 CO -0.02 -0.29 -1.52 -0.24 -1.65 0.00 0.00 177.43 173.72 2pk2 n SER 82 N -5.09 2.80 0.05 5.81 2.88 -0.53 -4.54 113.62 114.99 2pk2 n SER 82 Ca 0.36 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2pk2 n SER 82 Cb 1.20 1.12 0.29 0.00 -0.75 0.00 0.00 64.21 66.07 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 1.22 -0.13 2.46 2.07 -1.20 -3.22 116.25 117.46 2pk2 h VAL 83 Ca -0.11 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2pk2 h VAL 83 Cb 0.94 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2pk2 h VAL 83 CO 0.01 0.32 -0.15 0.00 0.02 0.00 0.00 177.57 177.77 2pk2 h ALA 84 N 1.48 -0.07 0.00 1.67 0.00 -1.59 0.94 119.26 121.69 2pk2 h ALA 84 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pk2 h ALA 84 Cb 0.50 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pk2 h ALA 84 CO 0.03 -0.60 -0.00 -1.35 0.00 0.00 0.00 179.25 177.33 2pk2 h PRO 85 N -0.19 0.00 -0.04 0.00 0.11 -1.81 1.01 132.00 131.08 2pk2 h PRO 85 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2pk2 h PRO 85 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2pk2 h PRO 85 CO -0.24 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.52 2pk2 h ALA 86 N 2.00 0.06 0.00 -0.75 0.00 -1.05 -3.01 119.26 116.51 2pk2 h ALA 86 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2pk2 h ALA 86 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pk2 h ALA 86 CO 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.92 2pk2 h ALA 87 N 0.58 0.93 -0.07 0.00 0.00 0.56 -2.30 119.26 118.96 2pk2 h ALA 87 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pk2 h ALA 87 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pk2 h ALA 87 CO 0.01 0.19 0.00 -0.11 0.00 0.00 0.00 179.25 179.34 2pk2 n LEU 88 N -3.18 0.50 -0.05 0.00 7.94 0.34 -2.78 117.00 119.76 2pk2 n LEU 88 Ca 0.02 -0.23 -0.08 0.00 -1.11 0.00 0.00 56.01 54.61 2pk2 n LEU 88 Cb 0.51 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.37 2pk2 n LEU 88 CO 0.34 0.11 -0.84 0.33 -1.11 0.00 0.00 177.39 176.22 2pk2 n PHE 89 N -0.34 0.00 -0.28 1.96 7.35 -0.89 -4.16 117.46 121.09 2pk2 n PHE 89 Ca 0.09 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.72 2pk2 n PHE 89 Cb 0.11 -0.39 0.06 0.00 0.35 0.00 0.00 39.48 39.62 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 -0.11 1.08 -0.02 -2.13 4.07 -1.58 -2.88 115.31 113.75 2pk2 h LEU 90 Ca -0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.54 2pk2 h LEU 90 Cb 1.32 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 2pk2 h LEU 90 CO -0.07 0.97 0.00 0.00 -1.08 0.00 0.00 178.44 178.26 2pk2 h ALA 91 N 1.16 0.02 -0.79 1.53 0.00 -1.77 -2.59 119.26 116.81 2pk2 h ALA 91 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pk2 h ALA 91 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pk2 h ALA 91 CO -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.89 2pk2 n ALA 92 N -2.24 -0.14 -0.25 0.00 0.00 -1.17 -0.86 120.51 115.87 2pk2 n ALA 92 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2pk2 n ALA 92 Cb 0.15 0.27 0.15 0.00 0.00 0.00 0.00 19.45 20.03 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 0.11 -0.85 0.00 1.57 -1.63 0.19 116.57 115.96 2pk2 h LYS 93 Ca 0.00 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 2pk2 h LYS 93 Cb 0.00 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.19 2pk2 h LYS 93 CO 0.00 0.07 0.42 0.28 -0.57 0.00 0.00 179.45 179.65 2pk2 h VAL 94 N 0.11 0.68 0.00 0.50 2.07 -1.09 -1.50 116.25 117.01 2pk2 h VAL 94 Ca 0.40 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2pk2 h VAL 94 Cb 0.69 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2pk2 h VAL 94 CO -0.63 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.44 2pk2 n GLU 95 N -4.91 0.91 -1.38 1.57 -0.58 0.64 -4.77 120.64 112.11 2pk2 n GLU 95 Ca 0.18 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 2pk2 n GLU 95 Cb 0.47 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 2pk2 n GLU 95 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2pk2 n GLU 96 N 0.39 -1.40 -2.88 3.49 0.00 -0.57 -4.86 120.64 114.81 2pk2 n GLU 96 Ca 0.00 0.95 -0.02 0.00 0.00 0.00 0.00 57.16 58.09 2pk2 n GLU 96 Cb 0.38 -5.23 0.01 0.00 0.00 0.00 0.00 31.44 26.60 2pk2 n GLU 96 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2pk2 s GLN 97 N -3.05 0.79 0.25 5.31 1.03 -1.13 -5.04 119.66 117.82 2pk2 s GLN 97 Ca 0.00 -0.61 -0.04 0.00 0.04 0.00 0.00 55.36 54.75 2pk2 s GLN 97 Cb 0.00 0.01 0.06 0.00 0.03 0.00 0.00 33.01 33.10 2pk2 s GLN 97 CO 0.00 -1.03 0.33 -0.35 -2.54 0.00 0.00 175.29 171.70 2pk2 n PRO 98 N 3.41 -0.37 -4.21 9.60 -0.04 -1.22 -3.98 135.00 138.18 2pk2 n PRO 98 Ca 0.14 -0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 62.97 2pk2 n PRO 98 Cb 0.58 -0.34 -0.10 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.72 1.05 0.30 0.54 -0.14 -1.26 -4.82 119.74 111.69 2pk2 s LYS 99 Ca 0.19 -1.50 -0.29 0.00 -1.36 0.00 0.00 55.97 53.00 2pk2 s LYS 99 Cb -0.01 -0.10 -0.10 0.00 -1.68 0.00 0.00 37.83 35.95 2pk2 s LYS 99 CO 0.13 -0.18 1.14 0.15 -0.76 0.00 0.00 175.35 175.84 2pk2 s LYS 100 N -3.96 4.54 0.54 1.68 1.02 -1.26 -4.79 119.74 117.51 2pk2 s LYS 100 Ca 0.24 1.88 0.21 0.00 0.02 0.00 0.00 55.97 58.33 2pk2 s LYS 100 Cb 0.07 -3.12 1.48 0.00 -0.52 0.00 0.00 37.83 35.73 2pk2 s LYS 100 CO 0.03 0.09 2.18 1.25 -0.92 0.00 0.00 175.35 177.99 2pk2 h LEU 101 N 3.63 0.00 0.11 3.17 7.12 -2.00 1.49 115.31 128.83 2pk2 h LEU 101 Ca -0.47 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.26 2pk2 h LEU 101 Cb 1.22 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2pk2 h LEU 101 CO 0.66 0.01 -1.28 -0.08 -0.13 0.00 0.00 178.44 177.62 2pk2 h GLU 102 N 0.00 0.24 0.10 1.25 4.81 -1.97 -3.01 114.58 116.00 2pk2 h GLU 102 Ca -0.00 -0.41 -0.26 0.00 -0.13 0.00 0.00 59.36 58.55 2pk2 h GLU 102 Cb 0.02 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2pk2 h GLU 102 CO 0.00 1.17 -1.19 1.25 -0.73 0.00 0.00 179.01 179.52 2pk2 h HIS 103 N 0.07 0.40 -0.51 0.92 2.76 -1.36 1.22 115.15 118.65 2pk2 h HIS 103 Ca -0.14 -0.29 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2pk2 h HIS 103 Cb 1.96 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.88 2pk2 h HIS 103 CO 0.06 1.22 0.31 0.28 -1.30 0.00 0.00 177.93 178.50 2pk2 h VAL 104 N 0.06 1.14 0.00 5.26 2.07 0.19 -2.50 116.25 122.47 2pk2 h VAL 104 Ca -0.11 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 2pk2 h VAL 104 Cb 1.92 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2pk2 h VAL 104 CO 0.19 0.15 -1.32 -0.38 0.02 0.00 0.00 177.57 176.23 2pk2 n ILE 105 N -4.44 0.88 0.29 4.57 5.41 -1.14 -3.81 119.36 121.12 2pk2 n ILE 105 Ca 0.04 -0.62 0.03 0.00 1.00 0.00 0.00 62.75 63.20 2pk2 n ILE 105 Cb 0.07 -0.51 0.16 0.00 -0.71 0.00 0.00 39.64 38.65 2pk2 n ILE 105 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2pk2 n LYS 106 N -2.75 2.53 -0.03 0.38 5.02 0.42 -2.53 118.16 121.19 2pk2 n LYS 106 Ca -0.06 -1.27 -0.01 0.00 -2.02 0.00 0.00 58.31 54.94 2pk2 n LYS 106 Cb 0.71 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.27 0.38 -0.03 -0.18 0.31 -1.02 -4.63 118.33 113.42 2pk2 n VAL 107 Ca 0.11 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2pk2 n VAL 107 Cb 0.61 -0.45 -0.08 0.00 -0.91 0.00 0.00 33.84 33.01 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 0.51 0.11 0.29 3.52 0.00 -1.62 -2.82 119.26 119.25 2pk2 h ALA 108 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pk2 h ALA 108 Cb 1.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2pk2 h ALA 108 CO 0.01 -0.19 -0.30 1.25 0.00 0.00 0.00 179.25 180.02 2pk2 h HIS 109 N -0.16 -0.80 0.00 0.00 6.17 -1.83 1.46 115.15 120.00 2pk2 h HIS 109 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2pk2 h HIS 109 Cb 0.38 0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.63 2pk2 h HIS 109 CO 0.04 -0.43 0.00 1.79 0.71 0.00 0.00 177.93 180.05 2pk2 h THR 110 N -0.62 0.00 0.00 6.26 1.35 -1.71 1.44 112.91 119.62 2pk2 h THR 110 Ca -0.01 -0.10 -0.30 0.00 -0.55 0.00 0.00 66.41 65.45 2pk2 h THR 110 Cb 0.57 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.98 2pk2 h THR 110 CO -0.07 0.00 -1.70 0.00 -0.25 0.00 0.00 175.52 173.51 2pk2 h LEU 112 N -1.00 -0.37 -7.50 0.00 3.38 0.23 -3.40 115.31 106.65 2pk2 h LEU 112 Ca -0.45 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 56.78 2pk2 h LEU 112 Cb 1.37 0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.90 2pk2 h LEU 112 CO -0.27 0.06 0.09 -1.00 0.09 0.00 0.00 178.44 177.41 2pk2 s HIS 113 N -2.96 3.95 -1.57 1.13 3.76 0.49 -4.88 115.29 115.21 2pk2 s HIS 113 Ca -0.06 -2.73 0.03 0.00 -0.15 0.00 0.00 55.06 52.14 2pk2 s HIS 113 Cb 0.01 -3.52 0.11 0.00 1.11 0.00 0.00 32.58 30.28 2pk2 s HIS 113 CO 0.19 -0.86 0.93 -0.35 -0.85 0.00 0.00 174.74 173.80 2pk2 n PRO 114 N 2.82 1.39 0.00 8.40 -0.04 -1.20 -4.04 135.00 142.32 2pk2 n PRO 114 Ca 0.20 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 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 -0.07 0.84 -2.17 0.54 6.02 -1.26 -5.05 117.38 116.23 2pk2 n GLN 115 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 2pk2 n GLN 115 Cb 0.21 -0.83 -0.01 0.00 1.02 0.00 0.00 30.24 30.63 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 -1.65 4.02 0.90 -1.09 2.02 -1.26 -4.98 118.70 116.66 2pk2 s GLU 116 Ca 0.00 2.00 -0.13 0.00 0.02 0.00 0.00 54.97 56.86 2pk2 s GLU 116 Cb 0.00 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2pk2 s GLU 116 CO 0.00 -0.39 0.46 0.45 0.02 0.00 0.00 175.26 175.80 2pk2 n SER 117 N 0.14 -1.78 -4.61 -0.19 2.88 -1.26 -4.84 113.62 103.95 2pk2 n SER 117 Ca 0.04 0.39 -0.44 0.00 -1.33 0.00 0.00 58.87 57.53 2pk2 n SER 117 Cb 0.45 -1.22 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 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 -1.18 2.20 -4.64 2.46 7.94 -1.26 -4.96 117.00 117.56 2pk2 n LEU 118 Ca 0.08 1.19 -0.29 0.00 -1.11 0.00 0.00 56.01 55.88 2pk2 n LEU 118 Cb 0.53 -1.33 0.20 0.00 0.53 0.00 0.00 43.42 43.34 2pk2 n LEU 118 CO 0.50 -1.19 0.62 -2.16 -1.11 0.00 0.00 177.39 174.05 2pk2 s PRO 119 N -1.62 -0.06 -0.03 1.96 0.04 -1.26 -5.08 135.00 128.95 2pk2 s PRO 119 Ca 0.58 0.45 0.04 0.00 0.04 0.00 0.00 61.00 62.11 2pk2 s PRO 119 Cb -0.67 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2pk2 s PRO 119 CO 0.60 -3.05 -0.16 0.34 0.04 0.00 0.00 177.00 174.78 2pk2 s ASP 120 N -3.40 1.95 0.49 6.66 3.68 -1.26 -5.03 116.67 119.76 2pk2 s ASP 120 Ca 0.67 -0.31 0.27 0.00 2.13 0.00 0.00 52.55 55.31 2pk2 s ASP 120 Cb -0.18 -0.39 1.21 0.00 -1.45 0.00 0.00 42.92 42.11 2pk2 s ASP 120 CO 0.58 0.17 1.95 0.74 0.13 0.00 0.00 175.17 178.74 2pk2 h THR 121 N 5.02 0.48 -0.67 1.71 2.02 -1.99 -3.08 112.91 116.41 2pk2 h THR 121 Ca -0.34 -0.81 -0.46 0.00 0.77 0.00 0.00 66.41 65.56 2pk2 h THR 121 Cb 1.16 1.56 -0.31 0.00 -1.74 0.00 0.00 68.15 68.82 2pk2 h THR 121 CO 0.48 0.15 -0.34 0.54 0.37 0.00 0.00 175.52 176.72 2pk2 n ARG 122 N -3.44 2.96 -4.35 6.66 1.74 -1.26 -4.67 116.66 114.30 2pk2 n ARG 122 Ca -0.01 -3.76 -0.31 0.00 -0.77 0.00 0.00 57.85 53.00 2pk2 n ARG 122 Cb 0.34 -2.15 -0.10 0.00 -1.02 0.00 0.00 32.46 29.53 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 -3.05 4.70 0.58 0.55 1.04 -1.17 -5.00 113.70 111.35 2pk2 s SER 123 Ca 0.51 -0.17 0.27 0.00 0.48 0.00 0.00 55.95 57.04 2pk2 s SER 123 Cb 0.43 -1.08 1.62 0.00 0.10 0.00 0.00 66.02 67.08 2pk2 s SER 123 CO 0.01 0.25 2.13 -0.08 0.98 0.00 0.00 173.24 176.53 2pk2 h GLU 124 N 4.19 0.00 0.00 4.02 4.57 -1.94 0.28 114.58 125.69 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 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 2pk2 n ALA 125 N -2.38 1.85 -0.09 2.92 0.00 -1.26 -3.34 120.51 118.21 2pk2 n ALA 125 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2pk2 n ALA 125 Cb 0.28 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.77 0.00 -0.09 0.00 9.36 0.96 -4.49 117.16 121.12 2pk2 n TYR 126 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 2pk2 n TYR 126 Cb 0.24 -0.68 0.29 0.00 -0.63 0.00 0.00 39.34 38.56 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 -0.37 0.66 0.72 2.98 3.38 -1.56 -3.03 115.31 118.10 2pk2 h LEU 127 Ca -0.44 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2pk2 h LEU 127 Cb 1.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2pk2 h LEU 127 CO -0.19 0.57 -0.48 1.56 0.09 0.00 0.00 178.44 179.99 2pk2 h GLN 128 N 0.73 -1.10 0.00 1.13 4.20 -1.79 -2.40 115.11 115.89 2pk2 h GLN 128 Ca 0.18 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2pk2 h GLN 128 Cb 0.10 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2pk2 h GLN 128 CO -0.02 -0.73 0.00 0.00 -0.67 0.00 0.00 178.83 177.40 2pk2 n GLN 129 N -5.60 0.81 -0.04 1.46 10.64 -1.21 -4.06 117.38 119.37 2pk2 n GLN 129 Ca -0.14 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 54.94 2pk2 n GLN 129 Cb 0.49 -1.31 -0.03 0.00 -0.86 0.00 0.00 30.24 28.53 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 0.96 -0.02 -0.39 2.07 -1.30 -2.69 116.25 114.87 2pk2 h VAL 130 Ca 0.00 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 2pk2 h VAL 130 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2pk2 h VAL 130 CO 0.00 0.03 -0.70 1.56 0.02 0.00 0.00 177.57 178.48 2pk2 h GLN 131 N 0.17 0.11 -0.90 1.57 7.50 -1.76 -3.31 115.11 118.49 2pk2 h GLN 131 Ca 0.08 -0.09 0.12 0.00 0.50 0.00 0.00 58.65 59.26 2pk2 h GLN 131 Cb 0.05 0.02 -0.08 0.00 0.05 0.00 0.00 27.48 27.52 2pk2 h GLN 131 CO -0.08 0.77 0.53 0.22 -1.50 0.00 0.00 178.83 178.77 2pk2 h ASP 132 N 0.07 0.76 0.57 1.46 1.82 -1.73 1.78 116.42 121.15 2pk2 h ASP 132 Ca -0.01 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2pk2 h ASP 132 Cb 1.25 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.17 2pk2 h ASP 132 CO 0.10 0.40 0.00 0.18 -1.61 0.00 0.00 179.24 178.31 2pk2 n LEU 133 N -4.71 0.00 -0.31 2.28 4.77 -1.23 -1.19 117.00 116.61 2pk2 n LEU 133 Ca 0.16 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.58 2pk2 n LEU 133 Cb 0.34 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2pk2 n LEU 133 CO 0.26 -0.11 0.42 0.52 -1.33 0.00 0.00 177.39 177.15 2pk2 n VAL 134 N -1.40 0.28 -0.11 4.08 0.31 0.49 -4.01 118.33 117.97 2pk2 n VAL 134 Ca 0.07 -0.64 -0.21 0.00 -0.01 0.00 0.00 64.34 63.56 2pk2 n VAL 134 Cb 0.21 0.97 -0.09 0.00 -0.91 0.00 0.00 33.84 34.02 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 0.32 1.25 0.14 2.52 5.41 0.49 -4.42 119.36 125.05 2pk2 n ILE 135 Ca 0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 62.75 63.40 2pk2 n ILE 135 Cb 0.22 -1.58 0.19 0.00 -0.71 0.00 0.00 39.64 37.76 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 0.02 -1.88 1.39 3.38 -1.39 -2.80 115.31 113.54 2pk2 h LEU 136 Ca -0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2pk2 h LEU 136 Cb 1.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2pk2 h LEU 136 CO -0.24 0.61 -0.12 -0.08 0.09 0.00 0.00 178.44 178.70 2pk2 h GLU 137 N 0.01 0.00 0.20 1.13 4.81 -1.78 -0.44 114.58 118.51 2pk2 h GLU 137 Ca -0.01 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2pk2 h GLU 137 Cb 1.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.45 2pk2 h GLU 137 CO 0.08 0.12 -1.68 1.03 -0.73 0.00 0.00 179.01 177.82 2pk2 h SER 138 N 0.00 0.65 -0.35 1.04 0.87 -1.74 -0.45 113.55 113.57 2pk2 h SER 138 Ca -0.00 -0.93 0.05 0.00 -1.23 0.00 0.00 61.79 59.68 2pk2 h SER 138 Cb 0.24 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2pk2 h SER 138 CO 0.02 1.77 0.24 0.40 -0.53 0.00 0.00 176.83 178.72 2pk2 h ILE 139 N 0.09 0.95 0.04 2.23 5.03 -1.08 -1.51 117.51 123.25 2pk2 h ILE 139 Ca -0.33 -0.08 -0.36 0.00 -0.12 0.00 0.00 64.86 63.97 2pk2 h ILE 139 Cb 2.09 0.69 -0.05 0.00 -3.03 0.00 0.00 36.82 36.52 2pk2 h ILE 139 CO 0.19 0.04 -2.20 0.00 -0.68 0.00 0.00 178.15 175.51 2pk2 n ILE 140 N -4.48 1.58 -0.34 -0.67 3.06 -0.25 -3.43 119.36 114.83 2pk2 n ILE 140 Ca 0.04 -0.69 0.05 0.00 -2.50 0.00 0.00 62.75 59.66 2pk2 n ILE 140 Cb 0.25 -1.27 0.23 0.00 0.54 0.00 0.00 39.64 39.39 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 0.94 0.02 9.51 3.38 -0.65 -2.64 115.31 125.89 2pk2 h LEU 141 Ca -0.48 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.17 2pk2 h LEU 141 Cb 2.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 2pk2 h LEU 141 CO 0.01 0.56 -2.09 0.00 0.09 0.00 0.00 178.44 177.01 2pk2 n GLN 142 N -4.53 0.67 -0.13 1.13 10.64 -0.61 -2.94 117.38 121.62 2pk2 n GLN 142 Ca 0.16 0.17 0.13 0.00 -1.83 0.00 0.00 57.00 55.63 2pk2 n GLN 142 Cb 0.26 -1.65 0.49 0.00 -0.86 0.00 0.00 30.24 28.48 2pk2 n GLN 142 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2pk2 h THR 143 N 0.01 0.86 -0.27 -0.39 2.02 -1.57 -1.28 112.91 112.30 2pk2 h THR 143 Ca -0.44 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2pk2 h THR 143 Cb 2.08 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2pk2 h THR 143 CO 0.04 0.08 0.03 0.18 0.37 0.00 0.00 175.52 176.22 2pk2 n LEU 144 N -4.48 3.27 -3.01 2.58 4.77 -1.00 -4.88 117.00 114.25 2pk2 n LEU 144 Ca 0.12 -1.66 -0.18 0.00 -0.03 0.00 0.00 56.01 54.25 2pk2 n LEU 144 Cb 0.43 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2pk2 n LEU 144 CO 0.33 0.45 -0.07 0.61 -1.33 0.00 0.00 177.39 177.38 2pk2 n GLY 145 N 0.22 -0.49 4.39 -0.72 0.00 -0.48 0.35 105.19 108.46 2pk2 n GLY 145 Ca 0.14 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.66 -1.43 -2.75 1.61 3.72 -1.15 -4.86 117.46 108.93 2pk2 n PHE 146 Ca -0.06 0.74 -0.43 0.00 -0.05 0.00 0.00 57.45 57.65 2pk2 n PHE 146 Cb 0.56 -2.41 -0.02 0.00 -0.94 0.00 0.00 39.48 36.68 2pk2 n PHE 146 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pk2 s GLU 147 N -7.10 3.77 0.10 -1.08 2.12 0.15 -4.78 118.70 111.88 2pk2 s GLU 147 Ca 0.75 -1.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.20 2pk2 s GLU 147 Cb -0.43 -5.20 -0.15 0.00 0.26 0.00 0.00 34.13 28.61 2pk2 s GLU 147 CO 0.98 -2.00 1.27 -0.07 -0.54 0.00 0.00 175.26 174.90 2pk2 h LEU 148 N 11.40 0.79 -8.95 2.70 4.07 -1.89 -3.44 115.31 119.99 2pk2 h LEU 148 Ca 0.26 -0.60 -0.58 0.00 0.08 0.00 0.00 57.88 57.04 2pk2 h LEU 148 Cb 0.96 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2pk2 h LEU 148 CO 1.30 1.39 1.35 -0.89 -1.08 0.00 0.00 178.44 180.51 2pk2 s THR 149 N -3.43 3.28 -0.08 0.22 2.01 -1.26 -4.96 115.64 111.42 2pk2 s THR 149 Ca -0.09 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 2pk2 s THR 149 Cb 0.08 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.28 2pk2 s THR 149 CO 0.90 -0.21 0.16 -0.63 -0.69 0.00 0.00 174.62 174.14 2pk2 s ILE 150 N 7.20 -0.17 0.64 1.82 1.01 -1.26 -4.87 121.20 125.57 2pk2 s ILE 150 Ca 0.88 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 2pk2 s ILE 150 Cb -0.28 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 41.93 2pk2 s ILE 150 CO 0.34 0.11 0.97 -1.81 0.00 0.00 0.00 174.94 174.56 2pk2 s ASP 151 N 1.81 5.40 0.09 3.58 -0.00 -1.26 -5.07 116.67 121.22 2pk2 s ASP 151 Ca -0.02 0.77 0.05 0.00 -0.00 0.00 0.00 52.55 53.35 2pk2 s ASP 151 Cb -0.12 -1.65 -0.03 0.00 -0.00 0.00 0.00 42.92 41.12 2pk2 s ASP 151 CO -0.06 -1.24 -0.13 -1.00 -0.00 0.00 0.00 175.17 172.74 2pk2 s HIS 152 N -3.13 1.23 -0.62 4.23 3.76 -1.26 -4.86 115.29 114.64 2pk2 s HIS 152 Ca 0.56 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2pk2 s HIS 152 Cb -0.11 -0.67 0.18 0.00 1.11 0.00 0.00 32.58 33.08 2pk2 s HIS 152 CO 0.47 0.07 0.90 -0.35 -0.85 0.00 0.00 174.74 174.98 2pk2 n PRO 153 N 0.92 1.71 -0.11 8.40 -0.04 -1.26 -3.86 135.00 140.77 2pk2 n PRO 153 Ca -0.18 -0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 62.36 2pk2 n PRO 153 Cb 0.56 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.14 0.00 -0.29 0.54 8.25 -1.26 -3.88 115.22 118.71 2pk2 n HIS 154 Ca 0.08 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 2pk2 n HIS 154 Cb 0.55 -0.74 0.26 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.82 0.53 -0.33 1.59 2.02 -2.00 1.05 112.91 114.96 2pk2 h THR 155 Ca -0.47 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2pk2 h THR 155 Cb 1.38 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2pk2 h THR 155 CO -0.28 0.08 -0.09 0.45 0.37 0.00 0.00 175.52 176.04 2pk2 h HIS 156 N 0.41 0.72 -0.84 3.16 3.86 -1.82 -2.97 115.15 117.67 2pk2 h HIS 156 Ca 0.50 -0.16 0.16 0.00 -1.16 0.00 0.00 60.37 59.71 2pk2 h HIS 156 Cb 0.89 -0.17 -0.10 0.00 1.06 0.00 0.00 27.41 29.09 2pk2 h HIS 156 CO -0.16 0.81 0.41 0.28 0.86 0.00 0.00 177.93 180.13 2pk2 h VAL 157 N 0.41 0.68 0.00 2.45 2.07 -0.08 0.44 116.25 122.22 2pk2 h VAL 157 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2pk2 h VAL 157 Cb 0.59 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2pk2 h VAL 157 CO 0.03 0.10 0.00 0.52 0.02 0.00 0.00 177.57 178.25 2pk2 n VAL 158 N -4.92 0.00 -0.21 2.57 0.31 0.31 -2.55 118.33 113.84 2pk2 n VAL 158 Ca 0.17 1.28 0.01 0.00 -0.01 0.00 0.00 64.34 65.79 2pk2 n VAL 158 Cb 0.46 -2.20 0.12 0.00 -0.91 0.00 0.00 33.84 31.31 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 0.41 -0.94 5.55 2.10 -1.42 -1.95 116.57 120.31 2pk2 h LYS 159 Ca 0.00 -0.02 0.20 0.00 -2.00 0.00 0.00 60.65 58.83 2pk2 h LYS 159 Cb 0.00 -0.09 -0.08 0.00 -0.90 0.00 0.00 32.23 31.16 2pk2 h LYS 159 CO 0.00 0.27 0.61 0.00 -2.00 0.00 0.00 179.45 178.33 2pk2 n THR 161 N -4.59 0.00 -0.10 0.00 -2.24 -0.77 -2.82 114.28 103.77 2pk2 n THR 161 Ca 0.21 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.80 2pk2 n THR 161 Cb 0.66 0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.38 0.67 0.23 -0.78 6.02 0.17 0.11 117.38 122.42 2pk2 n GLN 162 Ca 0.07 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 57.30 2pk2 n GLN 162 Cb 0.33 -1.56 0.55 0.00 1.02 0.00 0.00 30.24 30.59 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 0.01 0.00 -0.87 1.08 3.38 0.19 -1.74 115.31 117.36 2pk2 h LEU 163 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pk2 h LEU 163 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2pk2 h LEU 163 CO -0.04 0.22 -0.49 1.33 0.09 0.00 0.00 178.44 179.55 2pk2 n VAL 164 N -3.71 0.00 -2.01 1.22 0.24 -1.13 -4.98 118.33 107.97 2pk2 n VAL 164 Ca -0.01 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 2pk2 n VAL 164 Cb 0.34 1.22 -0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 -0.41 -1.03 7.34 1.74 -0.66 -4.91 116.66 118.55 2pk2 n ARG 165 Ca 0.08 0.29 -0.33 0.00 -0.77 0.00 0.00 57.85 57.12 2pk2 n ARG 165 Cb 0.42 -4.08 0.13 0.00 -1.02 0.00 0.00 32.46 27.92 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 -1.03 -0.30 -1.58 7.54 0.00 0.31 -4.96 120.51 120.48 2pk2 n ALA 166 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2pk2 n ALA 166 Cb 0.51 -2.21 0.21 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.18 2.13 -0.17 0.00 1.04 -1.26 -4.71 113.70 108.56 2pk2 s SER 167 Ca 0.72 0.39 -0.24 0.00 0.48 0.00 0.00 55.95 57.29 2pk2 s SER 167 Cb -0.28 -0.49 -0.23 0.00 0.10 0.00 0.00 66.02 65.12 2pk2 s SER 167 CO 0.53 -3.35 0.49 0.50 0.98 0.00 0.00 173.24 172.39 2pk2 h LYS 168 N -2.06 0.03 -0.80 4.02 3.11 -1.95 -2.65 116.57 116.27 2pk2 h LYS 168 Ca -0.44 -0.05 0.12 0.00 -2.81 0.00 0.00 60.65 57.47 2pk2 h LYS 168 Cb 1.25 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 32.42 2pk2 h LYS 168 CO 0.35 1.02 0.41 0.22 -2.81 0.00 0.00 179.45 178.65 2pk2 h ASP 169 N -0.93 0.53 -0.31 4.20 -0.00 -2.00 0.11 116.42 118.03 2pk2 h ASP 169 Ca -0.19 0.07 -0.09 0.00 -0.00 0.00 0.00 57.03 56.82 2pk2 h ASP 169 Cb 1.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.53 2pk2 h ASP 169 CO -0.09 0.27 -0.15 0.25 -0.00 0.00 0.00 179.24 179.52 2pk2 h LEU 170 N 0.65 0.67 -0.63 2.28 5.85 -1.97 -2.73 115.31 119.42 2pk2 h LEU 170 Ca 0.41 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2pk2 h LEU 170 Cb 0.49 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2pk2 h LEU 170 CO -0.31 0.93 0.12 0.00 -0.34 0.00 0.00 178.44 178.84 2pk2 h ALA 171 N 0.76 0.75 -0.58 1.25 0.00 -0.78 0.50 119.26 121.16 2pk2 h ALA 171 Ca 0.07 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2pk2 h ALA 171 Cb 0.68 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 2pk2 h ALA 171 CO 0.05 -0.33 0.14 1.96 0.00 0.00 0.00 179.25 181.06 2pk2 h GLN 172 N 0.24 0.26 -0.28 0.00 7.50 -0.76 0.41 115.11 122.47 2pk2 h GLN 172 Ca 0.34 -0.02 0.08 0.00 0.50 0.00 0.00 58.65 59.56 2pk2 h GLN 172 Cb 0.53 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 2pk2 h GLN 172 CO -0.45 0.17 0.24 1.15 -1.50 0.00 0.00 178.83 178.45 2pk2 h THR 173 N 0.27 0.64 0.28 -0.54 2.02 0.18 -1.53 112.91 114.24 2pk2 h THR 173 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 2pk2 h THR 173 Cb 0.44 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2pk2 h THR 173 CO -0.38 0.00 -0.13 0.28 0.37 0.00 0.00 175.52 175.66 2pk2 h SER 174 N 0.00 -0.32 -0.13 4.18 0.02 0.23 -3.25 113.55 114.28 2pk2 h SER 174 Ca 0.14 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2pk2 h SER 174 Cb 0.62 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 2pk2 h SER 174 CO -0.00 -0.06 -0.34 0.22 -1.14 0.00 0.00 176.83 175.51 2pk2 h TYR 175 N -0.70 -0.94 -1.15 3.45 3.20 -0.75 -0.24 116.97 119.84 2pk2 h TYR 175 Ca -0.04 0.04 0.32 0.00 3.14 0.00 0.00 58.73 62.20 2pk2 h TYR 175 Cb 0.29 0.43 -0.10 0.00 1.54 0.00 0.00 36.73 38.89 2pk2 h TYR 175 CO 0.04 -0.41 0.75 0.35 -1.64 0.00 0.00 178.16 177.25 2pk2 h PHE 176 N -0.42 0.52 0.00 -3.82 3.57 -1.47 0.69 116.94 116.02 2pk2 h PHE 176 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2pk2 h PHE 176 Cb 0.56 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2pk2 h PHE 176 CO -0.42 -0.02 -0.24 1.98 -2.23 0.00 0.00 178.31 177.38 2pk2 h MET 177 N 0.25 0.00 -0.69 1.11 4.05 -1.07 -2.69 114.93 115.90 2pk2 h MET 177 Ca 0.65 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 60.04 2pk2 h MET 177 Cb 1.92 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.69 2pk2 h MET 177 CO -0.28 0.24 0.29 0.00 0.23 0.00 0.00 176.91 177.39 2pk2 h ALA 178 N 1.76 0.89 0.00 0.39 0.00 -0.82 -1.70 119.26 119.78 2pk2 h ALA 178 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pk2 h ALA 178 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pk2 h ALA 178 CO 0.03 0.49 0.00 2.41 0.00 0.00 0.00 179.25 182.18 2pk2 n THR 179 N -4.41 1.15 -0.10 0.00 -1.04 -1.01 -1.41 114.28 107.46 2pk2 n THR 179 Ca 0.05 0.61 -0.10 0.00 -2.04 0.00 0.00 64.05 62.58 2pk2 n THR 179 Cb 0.16 -1.60 -0.15 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 -2.12 0.45 0.08 8.00 3.02 -0.78 -2.88 115.26 121.02 2pk2 n ASN 180 Ca -0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 54.58 54.53 2pk2 n ASN 180 Cb 0.06 0.86 0.28 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.29 0.00 6.41 4.64 -0.42 0.62 113.55 125.09 2pk2 h SER 181 Ca -0.52 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2pk2 h SER 181 Cb 2.15 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 2pk2 h SER 181 CO 0.02 0.56 -0.22 -0.11 -0.87 0.00 0.00 176.83 176.21 2pk2 n LEU 182 N -4.14 0.76 0.23 5.97 -0.00 -0.50 -2.87 117.00 116.45 2pk2 n LEU 182 Ca -0.01 0.41 -0.15 0.00 -0.00 0.00 0.00 56.01 56.25 2pk2 n LEU 182 Cb 0.38 -0.66 -0.08 0.00 -0.00 0.00 0.00 43.42 43.07 2pk2 n LEU 182 CO 0.40 -0.49 0.68 0.45 -0.00 0.00 0.00 177.39 178.44 2pk2 h HIS 183 N -0.42 -0.72 0.04 1.96 3.86 -1.66 -3.36 115.15 114.84 2pk2 h HIS 183 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2pk2 h HIS 183 Cb 0.22 0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2pk2 h HIS 183 CO -0.09 -0.41 -0.02 -0.07 0.86 0.00 0.00 177.93 178.20 2pk2 h LEU 184 N -0.64 -0.05-10.77 2.43 3.38 -1.27 -3.35 115.31 105.05 2pk2 h LEU 184 Ca -0.03 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.49 2pk2 h LEU 184 Cb 0.55 0.01 0.14 0.00 0.09 0.00 0.00 40.66 41.45 2pk2 h LEU 184 CO 0.00 0.02 0.38 0.42 0.09 0.00 0.00 178.44 179.35 2pk2 s THR 185 N -1.75 2.03 -0.31 0.22 -4.23 0.20 -4.79 115.64 107.01 2pk2 s THR 185 Ca -0.01 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.50 2pk2 s THR 185 Cb 0.00 -2.95 0.46 0.00 1.34 0.00 0.00 72.50 71.35 2pk2 s THR 185 CO 0.02 0.00 1.34 0.35 -0.54 0.00 0.00 174.62 175.79 2pk2 n THR 186 N -3.55 2.57 0.25 3.99 -2.24 -1.24 -4.06 114.28 109.99 2pk2 n THR 186 Ca 0.14 -3.58 0.15 0.00 -2.27 0.00 0.00 64.05 58.49 2pk2 n THR 186 Cb 0.60 -0.77 0.79 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.65 0.00 -0.17 4.78 0.04 -1.84 -1.42 116.94 119.98 2pk2 h PHE 187 Ca 0.28 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 2pk2 h PHE 187 Cb 1.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.51 2pk2 h PHE 187 CO 0.93 0.00 -0.12 1.03 -0.60 0.00 0.00 178.31 179.55 2pk2 h SER 188 N 0.00 0.25 -0.24 2.17 0.87 -1.81 -0.77 113.55 114.02 2pk2 h SER 188 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2pk2 h SER 188 Cb 0.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2pk2 h SER 188 CO 0.00 0.40 0.00 0.18 -0.53 0.00 0.00 176.83 176.88 2pk2 n LEU 189 N -4.27 3.14 -0.02 2.23 4.77 -0.54 -4.41 117.00 117.89 2pk2 n LEU 189 Ca -0.00 -1.32 -0.03 0.00 -0.03 0.00 0.00 56.01 54.63 2pk2 n LEU 189 Cb 0.27 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2pk2 n LEU 189 CO 0.38 0.63 -0.66 0.00 -1.33 0.00 0.00 177.39 176.41 2pk2 n GLN 190 N 1.31 1.99 -4.51 3.23 6.02 -1.09 -1.06 117.38 123.27 2pk2 n GLN 190 Ca 0.16 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.90 2pk2 n GLN 190 Cb 0.56 -1.11 -0.08 0.00 1.02 0.00 0.00 30.24 30.63 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 0.04 1.08 2.02 -0.32 -4.90 117.35 114.95 2pk2 s TYR 191 Ca -0.04 -1.31 -0.00 0.00 -0.37 0.00 0.00 57.07 55.34 2pk2 s TYR 191 Cb 0.02 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2pk2 s TYR 191 CO 0.16 -0.33 0.17 0.95 -1.57 0.00 0.00 175.55 174.93 2pk2 s THR 192 N -3.20 5.22 0.28 -0.71 -4.23 -1.26 -4.60 115.64 107.13 2pk2 s THR 192 Ca 0.23 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2pk2 s THR 192 Cb 0.02 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.67 2pk2 s THR 192 CO 0.15 0.20 1.64 -0.65 -0.54 0.00 0.00 174.62 175.42 2pk2 h PRO 193 N 3.38 0.17 0.00 3.99 0.11 -1.92 1.38 132.00 139.12 2pk2 h PRO 193 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.72 0.11 0.00 -0.35 -0.21 0.00 0.00 178.00 178.27 2pk2 n PRO 194 N -5.27 0.17 0.00 1.05 -0.04 -1.26 -2.46 135.00 127.19 2pk2 n PRO 194 Ca 0.20 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 2pk2 n PRO 194 Cb 0.64 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.35 0.00 -0.05 0.52 0.31 0.44 -4.45 118.33 113.75 2pk2 n VAL 195 Ca 0.07 -0.38 -0.20 0.00 -0.01 0.00 0.00 64.34 63.82 2pk2 n VAL 195 Cb 0.16 1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 34.00 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 -0.71 1.66 0.25 2.52 0.31 0.56 -4.22 118.33 118.70 2pk2 n VAL 196 Ca 0.02 -0.63 0.16 0.00 -0.01 0.00 0.00 64.34 63.89 2pk2 n VAL 196 Cb 0.13 -1.59 0.87 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.06 1.68 0.00 3.52 0.00 -1.70 0.50 119.26 123.32 2pk2 h ALA 197 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2pk2 h ALA 197 Cb 1.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2pk2 h ALA 197 CO 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2pk2 n VAL 199 N -1.35 1.72 1.04 0.00 0.31 0.17 -2.24 118.33 117.98 2pk2 n VAL 199 Ca 0.11 -0.65 0.12 0.00 -0.01 0.00 0.00 64.34 63.91 2pk2 n VAL 199 Cb 0.24 -1.64 0.57 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.35 1.08 1.87 0.00 2.08 -0.78 -3.81 119.36 118.45 2pk2 n ILE 201 Ca 0.10 -0.48 0.11 0.00 0.56 0.00 0.00 62.75 63.03 2pk2 n ILE 201 Cb 0.22 -1.02 0.58 0.00 -0.75 0.00 0.00 39.64 38.67 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 -2.92 0.03 -0.11 1.39 -0.00 -0.95 -1.52 115.22 111.13 2pk2 n HIS 202 Ca -0.31 -0.01 -0.15 0.00 0.46 0.00 0.00 57.72 57.70 2pk2 n HIS 202 Cb 0.90 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.66 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 -0.63 2.71 0.10 0.27 0.00 -0.99 -4.49 117.00 113.97 2pk2 n LEU 203 Ca 0.16 -0.11 -0.17 0.00 0.00 0.00 0.00 56.01 55.89 2pk2 n LEU 203 Cb 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 43.42 42.76 2pk2 n LEU 203 CO 0.12 0.83 -0.01 0.00 0.00 0.00 0.00 177.39 178.33 2pk2 h ALA 204 N 0.08 0.13 -1.08 1.96 0.00 -1.65 -3.27 119.26 115.42 2pk2 h ALA 204 Ca -0.49 -0.83 0.29 0.00 0.00 0.00 0.00 54.91 53.88 2pk2 h ALA 204 Cb 1.79 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 2pk2 h ALA 204 CO -0.07 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 -0.96 0.00 1.79 -1.79 -0.61 116.57 115.40 2pk2 h LYS 206 Ca 0.63 -0.09 0.30 0.00 -2.18 0.00 0.00 60.65 59.31 2pk2 h LYS 206 Cb 1.66 0.03 -0.16 0.00 -1.58 0.00 0.00 32.23 32.18 2pk2 h LYS 206 CO -0.32 1.04 0.29 2.35 -1.08 0.00 0.00 179.45 181.73 2pk2 h TRP 207 N -0.88 0.41 0.00 -1.35 2.91 -1.27 1.43 115.95 117.19 2pk2 h TRP 207 Ca -0.06 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2pk2 h TRP 207 Cb 1.14 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 2pk2 h TRP 207 CO 0.25 -0.34 -0.35 -1.13 -1.03 0.00 0.00 178.44 175.84 2pk2 n SER 208 N -5.29 0.50 -1.95 2.65 3.41 -0.93 -4.97 113.62 107.04 2pk2 n SER 208 Ca 0.27 0.16 -0.02 0.00 -0.26 0.00 0.00 58.87 59.02 2pk2 n SER 208 Cb 0.89 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.81 -3.41 -4.65 4.04 4.13 0.49 -5.09 115.26 108.97 2pk2 n ASN 209 Ca 0.05 -0.11 -0.30 0.00 1.68 0.00 0.00 54.58 55.90 2pk2 n ASN 209 Cb 0.38 -1.96 -0.09 0.00 -1.54 0.00 0.00 39.78 36.57 2pk2 n ASN 209 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2pk2 s TRP 210 N -3.06 2.05 -0.30 3.10 -0.11 -0.24 -5.03 118.94 115.35 2pk2 s TRP 210 Ca 0.07 -0.91 -0.05 0.00 1.22 0.00 0.00 56.10 56.43 2pk2 s TRP 210 Cb -0.01 -1.60 0.19 0.00 -1.50 0.00 0.00 33.47 30.55 2pk2 s TRP 210 CO 0.20 0.23 0.80 -2.00 -4.62 0.00 0.00 176.95 171.57 2pk2 s GLU 211 N -3.81 0.39 -0.45 5.86 2.56 -1.26 -4.74 118.70 117.24 2pk2 s GLU 211 Ca 0.17 0.61 -0.25 0.00 0.00 0.00 0.00 54.97 55.50 2pk2 s GLU 211 Cb 0.04 0.33 0.03 0.00 2.00 0.00 0.00 34.13 36.53 2pk2 s GLU 211 CO 0.09 -0.50 0.92 0.42 -0.56 0.00 0.00 175.26 175.62 2pk2 s ILE 212 N 2.90 4.49 0.19 -3.70 1.01 -1.26 -5.01 121.20 119.82 2pk2 s ILE 212 Ca 0.12 0.77 -0.33 0.00 0.00 0.00 0.00 60.65 61.21 2pk2 s ILE 212 Cb -0.11 -4.42 -0.13 0.00 0.01 0.00 0.00 42.46 37.80 2pk2 s ILE 212 CO -0.19 -0.81 1.56 -2.65 0.00 0.00 0.00 174.94 172.85 2pk2 n PRO 213 N 7.12 2.21 -0.01 2.79 -0.02 -1.26 -4.94 135.00 140.88 2pk2 n PRO 213 Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2pk2 n PRO 213 Cb 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.08 0.00 -1.44 -1.45 0.31 -1.26 -5.06 118.33 112.51 2pk2 n VAL 214 Ca 0.15 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.04 2pk2 n VAL 214 Cb 0.30 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.22 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 -0.01 -0.89 -1.58 4.52 7.64 -1.26 -4.94 113.62 117.12 2pk2 n SER 215 Ca 0.00 1.02 0.08 0.00 1.01 0.00 0.00 58.87 60.98 2pk2 n SER 215 Cb 0.00 -1.06 0.34 0.00 -1.01 0.00 0.00 64.21 62.49 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 -0.38 1.90 -0.08 0.44 -1.04 -1.26 -4.15 114.28 109.70 2pk2 n THR 216 Ca 0.13 -1.14 -0.07 0.00 -2.04 0.00 0.00 64.05 60.94 2pk2 n THR 216 Cb 0.33 -0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.94 0.41 0.00 8.00 5.75 -1.26 -4.99 116.55 125.39 2pk2 n ASP 217 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2pk2 n ASP 217 Cb 0.91 1.08 0.00 0.00 -1.03 0.00 0.00 41.12 42.08 2pk2 n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pk2 n GLY 218 N 1.79 0.90 3.97 6.12 0.00 -1.26 -5.13 105.19 111.59 2pk2 n GLY 218 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 2.77 0.52 1.61 1.02 -1.26 -5.09 119.74 119.30 2pk2 s LYS 219 Ca 0.00 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.27 2pk2 s LYS 219 Cb 0.00 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2pk2 s LYS 219 CO 0.00 -0.47 0.51 -1.01 -0.92 0.00 0.00 175.35 173.46 2pk2 s HIS 220 N -2.60 1.88 -0.57 3.18 3.76 -1.26 -4.03 115.29 115.66 2pk2 s HIS 220 Ca 0.54 -0.70 0.24 0.00 -0.15 0.00 0.00 55.06 54.99 2pk2 s HIS 220 Cb -0.10 -2.08 0.54 0.00 1.11 0.00 0.00 32.58 32.05 2pk2 s HIS 220 CO 0.37 -0.58 1.66 0.11 -0.85 0.00 0.00 174.74 175.45 2pk2 h TRP 221 N 0.66 0.00 -0.02 1.40 5.08 -1.97 -2.70 115.95 118.40 2pk2 h TRP 221 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.61 2pk2 h TRP 221 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 2pk2 h TRP 221 CO 0.69 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 175.18 2pk2 n TRP 222 N -2.68 0.03 -0.03 0.12 2.14 -1.26 -3.42 117.44 112.34 2pk2 n TRP 222 Ca 0.05 -0.01 0.06 0.00 2.07 0.00 0.00 57.50 59.66 2pk2 n TRP 222 Cb 0.48 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.81 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 -0.49 0.67 0.00 -2.67 1.02 -1.02 -3.76 120.64 114.39 2pk2 n GLU 223 Ca 0.20 -0.16 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 2pk2 n GLU 223 Cb 0.19 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.12 -0.00 -0.32 -1.99 -1.60 -2.43 116.97 110.51 2pk2 h TYR 224 Ca -0.12 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 2pk2 h TYR 224 Cb 1.28 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 2pk2 h TYR 224 CO 0.00 0.19 0.00 -0.39 -0.00 0.00 0.00 178.16 177.96 2pk2 h VAL 225 N -0.99 0.64 -2.21 -2.88 -1.51 -1.80 -3.40 116.25 104.08 2pk2 h VAL 225 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2pk2 h VAL 225 Cb 0.36 1.00 -0.23 0.00 -2.13 0.00 0.00 31.29 30.28 2pk2 h VAL 225 CO 0.02 0.00 -0.20 -0.62 -1.23 0.00 0.00 177.57 175.54 2pk2 s ASP 226 N -6.37 -0.79 0.00 4.19 -1.08 -1.23 -5.03 116.67 106.36 2pk2 s ASP 226 Ca -0.05 1.33 0.25 0.00 -0.52 0.00 0.00 52.55 53.56 2pk2 s ASP 226 Cb 0.16 1.79 1.10 0.00 -1.46 0.00 0.00 42.92 44.50 2pk2 s ASP 226 CO 0.58 -0.22 1.75 0.00 0.52 0.00 0.00 175.17 177.80 2pk2 n ALA 227 N 5.22 2.58 -0.09 3.66 0.00 -0.92 -3.22 120.51 127.74 2pk2 n ALA 227 Ca -0.13 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 2pk2 n ALA 227 Cb 0.51 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.13 1.16 -1.44 0.00 -2.24 -1.26 -4.99 114.28 105.38 2pk2 n THR 228 Ca 0.18 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 2pk2 n THR 228 Cb 0.26 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 1.70 -4.62 2.28 0.31 -1.24 -5.02 118.33 108.88 2pk2 n VAL 229 Ca -0.32 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.23 2pk2 n VAL 229 Cb 0.97 -0.44 -0.10 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.34 1.79 -0.13 2.52 2.01 -1.26 -4.81 115.64 114.42 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 -0.68 -2.85 -0.26 0.00 0.01 0.00 0.00 72.50 68.72 2pk2 s THR 230 CO 0.59 0.00 0.45 0.25 -0.69 0.00 0.00 174.62 175.22 2pk2 h LEU 231 N 1.74 0.32 -0.54 4.42 5.85 -1.96 -0.77 115.31 124.37 2pk2 h LEU 231 Ca -0.44 -0.82 0.10 0.00 0.84 0.00 0.00 57.88 57.57 2pk2 h LEU 231 Cb 1.25 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 2pk2 h LEU 231 CO 0.79 1.65 0.07 -0.33 -0.34 0.00 0.00 178.44 180.28 2pk2 h GLU 232 N -0.34 0.19 -0.24 1.25 5.08 -1.98 1.19 114.58 119.73 2pk2 h GLU 232 Ca -0.34 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 2pk2 h GLU 232 Cb 1.74 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2pk2 h GLU 232 CO 0.02 0.12 -0.49 1.25 -1.00 0.00 0.00 179.01 178.91 2pk2 h LEU 233 N 0.19 0.73 -0.09 1.33 5.85 -1.98 0.21 115.31 121.55 2pk2 h LEU 233 Ca 0.28 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2pk2 h LEU 233 Cb 0.41 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2pk2 h LEU 233 CO -0.40 1.10 0.05 -0.07 -0.34 0.00 0.00 178.44 178.78 2pk2 h LEU 234 N 0.53 0.11 -0.48 2.25 4.07 0.50 -1.03 115.31 121.25 2pk2 h LEU 234 Ca 0.02 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.76 2pk2 h LEU 234 Cb 1.05 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2pk2 h LEU 234 CO 0.10 0.16 -0.31 0.44 -1.08 0.00 0.00 178.44 177.75 2pk2 h ASP 235 N 0.06 0.96 -0.86 -0.43 5.19 0.14 -0.89 116.42 120.58 2pk2 h ASP 235 Ca 0.03 -0.40 0.16 0.00 -0.62 0.00 0.00 57.03 56.20 2pk2 h ASP 235 Cb 0.07 -0.27 -0.10 0.00 0.18 0.00 0.00 39.33 39.22 2pk2 h ASP 235 CO -0.01 1.18 0.44 -0.08 -3.12 0.00 0.00 179.24 177.66 2pk2 h GLU 236 N 0.77 0.59 0.10 3.56 4.81 -0.35 1.28 114.58 125.33 2pk2 h GLU 236 Ca 0.08 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 58.96 2pk2 h GLU 236 Cb 0.89 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2pk2 h GLU 236 CO 0.08 0.39 -1.63 -0.07 -0.73 0.00 0.00 179.01 177.05 2pk2 h LEU 237 N 0.60 0.32 -1.11 1.64 3.38 -1.03 0.29 115.31 119.40 2pk2 h LEU 237 Ca 0.48 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2pk2 h LEU 237 Cb 0.71 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2pk2 h LEU 237 CO -0.38 1.43 -0.00 0.74 0.09 0.00 0.00 178.44 180.32 2pk2 h THR 238 N 0.06 1.22 -0.02 0.22 2.02 -0.81 0.58 112.91 116.17 2pk2 h THR 238 Ca -0.27 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2pk2 h THR 238 Cb 2.01 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2pk2 h THR 238 CO 0.13 0.30 -0.03 -0.74 0.37 0.00 0.00 175.52 175.55 2pk2 h HIS 239 N 0.59 0.08 0.41 3.16 -0.00 0.17 -0.84 115.15 118.72 2pk2 h HIS 239 Ca 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 2pk2 h HIS 239 Cb 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 2pk2 h HIS 239 CO 0.02 0.58 -0.30 1.49 -0.00 0.00 0.00 177.93 179.72 2pk2 h GLU 240 N -0.44 -0.68 -0.50 5.26 4.81 -0.28 0.90 114.58 123.65 2pk2 h GLU 240 Ca 0.00 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2pk2 h GLU 240 Cb 0.57 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 2pk2 h GLU 240 CO 0.01 -0.45 -0.43 0.35 -0.73 0.00 0.00 179.01 177.76 2pk2 h PHE 241 N -0.70 -1.33 -0.54 0.92 -0.00 0.09 1.02 116.94 116.40 2pk2 h PHE 241 Ca -0.04 0.08 0.07 0.00 -0.00 0.00 0.00 57.97 58.08 2pk2 h PHE 241 Cb 0.60 0.65 -0.06 0.00 -0.00 0.00 0.00 35.95 37.14 2pk2 h PHE 241 CO -0.13 -0.32 0.22 -0.07 -0.00 0.00 0.00 178.31 178.00 2pk2 h LEU 242 N -0.16 0.25 -0.82 0.59 3.38 -0.96 -2.16 115.31 115.42 2pk2 h LEU 242 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pk2 h LEU 242 Cb 0.38 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2pk2 h LEU 242 CO -0.56 0.17 0.51 -0.61 0.09 0.00 0.00 178.44 178.04 2pk2 h GLN 243 N 0.42 1.11 0.00 1.13 -0.00 0.19 -0.59 115.11 117.36 2pk2 h GLN 243 Ca 0.26 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2pk2 h GLN 243 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.50 2pk2 h GLN 243 CO -0.24 0.77 0.00 0.82 0.00 0.00 0.00 178.83 180.18 2pk2 h ILE 244 N 1.12 0.00 -0.01 2.39 1.08 0.17 -0.35 117.51 121.91 2pk2 h ILE 244 Ca 0.30 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 2pk2 h ILE 244 Cb -0.06 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2pk2 h ILE 244 CO -0.06 0.00 -0.57 0.18 -0.69 0.00 0.00 178.15 177.01 2pk2 n LEU 245 N -2.70 1.36 -0.12 1.44 4.77 -0.28 -3.74 117.00 117.73 2pk2 n LEU 245 Ca -0.01 -0.49 0.14 0.00 -0.03 0.00 0.00 56.01 55.62 2pk2 n LEU 245 Cb 0.13 -0.06 0.77 0.00 -2.33 0.00 0.00 43.42 41.93 2pk2 n LEU 245 CO 0.18 0.27 1.00 1.21 -1.33 0.00 0.00 177.39 178.73 2pk2 n GLU 246 N -0.72 1.16 -0.07 3.23 4.07 -0.14 -2.85 120.64 125.31 2pk2 n GLU 246 Ca 0.08 -0.23 0.06 0.00 -0.06 0.00 0.00 57.16 57.01 2pk2 n GLU 246 Cb 0.39 -1.45 0.08 0.00 -0.06 0.00 0.00 31.44 30.40 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 -0.68 1.70 -3.48 5.31 5.02 -1.24 -4.80 118.16 119.99 2pk2 n LYS 247 Ca 0.21 -2.05 -0.28 0.00 -2.02 0.00 0.00 58.31 54.17 2pk2 n LYS 247 Cb 0.16 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2pk2 n LYS 247 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pk2 s THR 248 N -1.98 0.65 -2.00 -0.18 2.01 -1.13 -4.96 115.64 108.04 2pk2 s THR 248 Ca 0.18 -2.67 0.07 0.00 0.31 0.00 0.00 61.69 59.58 2pk2 s THR 248 Cb 0.16 -1.46 0.20 0.00 0.01 0.00 0.00 72.50 71.41 2pk2 s THR 248 CO 0.02 -1.15 1.25 -0.81 -0.69 0.00 0.00 174.62 173.24 2pk2 n PRO 249 N 2.98 0.98 -0.07 4.92 -0.04 -1.26 -2.25 135.00 140.26 2pk2 n PRO 249 Ca 0.25 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2pk2 n PRO 249 Cb 0.44 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.61 1.65 0.17 3.54 4.13 -1.26 -4.27 115.26 118.61 2pk2 n ASN 250 Ca 0.05 0.43 0.12 0.00 1.68 0.00 0.00 54.58 56.87 2pk2 n ASN 250 Cb 0.02 -0.77 0.16 0.00 -1.54 0.00 0.00 39.78 37.65 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 -0.88 0.00 0.75 3.52 1.12 -1.98 -3.31 114.38 113.61 2pk2 h ARG 251 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2pk2 h ARG 251 Cb 0.68 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.64 2pk2 h ARG 251 CO 0.00 0.00 -0.36 1.25 -3.11 0.00 0.00 179.97 177.75 2pk2 h LEU 252 N 0.00 -0.86 -0.84 3.80 5.85 -1.68 0.13 115.31 121.71 2pk2 h LEU 252 Ca 0.00 0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.96 2pk2 h LEU 252 Cb 0.95 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 42.07 2pk2 h LEU 252 CO 0.00 -0.59 0.24 0.50 -0.34 0.00 0.00 178.44 178.25 2pk2 h LYS 253 N -1.06 0.25 0.00 1.25 3.64 -1.74 1.79 116.57 120.70 2pk2 h LYS 253 Ca -0.10 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2pk2 h LYS 253 Cb 0.77 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2pk2 h LYS 253 CO 0.17 0.17 -0.09 0.00 -2.27 0.00 0.00 179.45 177.42 2pk2 h ARG 254 N 0.26 0.00 0.01 1.90 3.08 -1.60 1.18 114.38 119.21 2pk2 h ARG 254 Ca 0.51 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.30 2pk2 h ARG 254 Cb 0.96 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.03 2pk2 h ARG 254 CO -0.59 0.09 -1.01 0.82 -1.07 0.00 0.00 179.97 178.21 2pk2 h ILE 255 N 0.00 1.29 -0.34 2.04 2.04 0.49 -2.41 117.51 120.63 2pk2 h ILE 255 Ca -0.00 -2.24 -0.11 0.00 1.00 0.00 0.00 64.86 63.51 2pk2 h ILE 255 Cb 0.18 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2pk2 h ILE 255 CO 0.01 0.69 -0.25 -0.50 0.00 0.00 0.00 178.15 178.10 2pk2 h TRP 256 N 0.34 0.77 0.00 1.37 4.06 0.26 -2.90 115.95 119.85 2pk2 h TRP 256 Ca -0.13 -0.18 -0.03 0.00 2.06 0.00 0.00 58.89 60.62 2pk2 h TRP 256 Cb 1.67 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 29.65 2pk2 h TRP 256 CO 0.11 0.86 -0.12 -0.91 -3.56 0.00 0.00 178.44 174.81 2pk2 h ASN 257 N 0.59 0.00 0.56 -3.49 2.35 0.13 -3.25 115.58 112.47 2pk2 h ASN 257 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2pk2 h ASN 257 Cb 0.73 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 2pk2 h ASN 257 CO 0.06 0.12 -0.06 -0.25 -1.65 0.00 0.00 177.43 175.65 2pk2 h TRP 258 N 0.00 0.00 -0.34 1.19 7.01 -1.21 0.33 115.95 122.94 2pk2 h TRP 258 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2pk2 h TRP 258 Cb 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 2pk2 h TRP 258 CO 0.00 0.06 0.00 -2.13 -2.79 0.00 0.00 178.44 173.58 2pk2 n ARG 259 N -3.29 3.12 0.24 2.65 0.63 -1.22 -4.48 116.66 114.30 2pk2 n ARG 259 Ca -0.01 -2.66 0.07 0.00 -0.92 0.00 0.00 57.85 54.33 2pk2 n ARG 259 Cb 0.24 -1.73 0.58 0.00 0.45 0.00 0.00 32.46 32.00 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 2.20 1.62 0.00 5.13 0.00 -1.03 1.04 119.26 128.23 2pk2 h ALA 260 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pk2 h ALA 260 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pk2 h ALA 260 CO 0.18 0.19 -0.90 0.00 0.00 0.00 0.00 179.25 178.72 2pk2 n GLU 262 N -2.01 0.99 0.00 0.00 0.28 -0.74 -5.23 120.64 113.92 2pk2 n GLU 262 Ca 0.02 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 2pk2 n GLU 262 Cb 0.44 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.17 2pk2 n GLU 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97