#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkx s GLN 5 N 0.00 3.63 0.18 1.61 -0.21 -1.26 -4.82 119.66 118.78 1pkx s GLN 5 Ca 0.00 0.16 -0.11 0.00 0.02 0.00 0.00 55.36 55.43 1pkx s GLN 5 Cb 0.00 -2.49 -0.07 0.00 1.00 0.00 0.00 33.01 31.46 1pkx s GLN 5 CO 0.00 -0.00 0.52 -0.51 -2.12 0.00 0.00 175.29 173.18 1pkx s LEU 6 N -4.12 4.25 -0.16 2.90 1.43 -1.10 -1.11 118.68 120.78 1pkx s LEU 6 Ca 0.47 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1pkx s LEU 6 Cb -0.10 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1pkx s LEU 6 CO 0.36 0.02 -0.19 0.00 0.23 0.00 0.00 176.35 176.77 1pkx s ALA 7 N -1.64 2.14 -0.17 4.21 0.00 0.40 -0.94 121.76 125.75 1pkx s ALA 7 Ca 0.42 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1pkx s ALA 7 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1pkx s ALA 7 CO 0.20 -0.25 0.00 -1.17 0.00 0.00 0.00 175.76 174.55 1pkx s LEU 8 N 1.18 3.44 -0.04 0.00 2.96 -0.09 -0.90 118.68 125.24 1pkx s LEU 8 Ca 0.01 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1pkx s LEU 8 Cb -0.14 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1pkx s LEU 8 CO -0.08 0.16 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.54 1pkx s PHE 9 N 0.43 1.94 -0.40 5.38 0.40 -0.50 -0.80 117.98 124.42 1pkx s PHE 9 Ca -0.01 -0.49 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 1pkx s PHE 9 Cb -0.14 -1.27 0.18 0.00 0.51 0.00 0.00 43.02 42.30 1pkx s PHE 9 CO 0.02 -0.12 0.69 0.45 0.70 0.00 0.00 175.22 176.96 1pkx s SER 10 N -0.22 -1.37 -0.02 1.36 0.15 -0.34 -4.30 113.70 108.96 1pkx s SER 10 Ca 0.01 -0.74 0.07 0.00 0.70 0.00 0.00 55.95 55.98 1pkx s SER 10 Cb -0.11 1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 65.94 1pkx s SER 10 CO 0.01 -0.15 -0.22 0.68 1.20 0.00 0.00 173.24 174.77 1pkx s VAL 11 N 1.81 1.75 -0.07 4.45 -7.23 -1.26 -3.31 120.40 116.54 1pkx s VAL 11 Ca 0.17 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.14 1pkx s VAL 11 Cb -0.03 -1.46 -0.24 0.00 0.56 0.00 0.00 36.38 35.22 1pkx s VAL 11 CO -0.08 0.49 1.01 -1.28 -0.31 0.00 0.00 175.10 174.94 1pkx h SER 12 N 5.67 0.14 -3.58 4.85 0.87 -1.72 -3.42 113.55 116.37 1pkx h SER 12 Ca -0.39 -0.78 -0.66 0.00 -1.23 0.00 0.00 61.79 58.73 1pkx h SER 12 Cb 1.14 -0.04 -0.16 0.00 -0.44 0.00 0.00 62.40 62.90 1pkx h SER 12 CO 0.48 0.90 0.04 -0.62 -0.53 0.00 0.00 176.83 177.10 1pkx s ASP 13 N -6.20 6.30 -0.01 6.23 2.15 -1.26 -4.95 116.67 118.94 1pkx s ASP 13 Ca -0.17 -0.36 0.07 0.00 0.43 0.00 0.00 52.55 52.53 1pkx s ASP 13 Cb 0.00 -2.30 0.22 0.00 -0.30 0.00 0.00 42.92 40.54 1pkx s ASP 13 CO 0.72 -0.70 1.15 0.29 -0.17 0.00 0.00 175.17 176.46 1pkx n LYS 14 N 6.07 1.62 -1.65 4.34 4.01 -1.26 -4.91 118.16 126.38 1pkx n LYS 14 Ca -0.03 -0.88 -0.49 0.00 -0.51 0.00 0.00 58.31 56.40 1pkx n LYS 14 Cb 0.48 -1.24 -0.05 0.00 -0.51 0.00 0.00 35.03 33.71 1pkx n LYS 14 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1pkx n THR 15 N 0.21 0.10 -0.54 -0.18 -1.04 -1.26 -1.47 114.28 110.10 1pkx n THR 15 Ca 0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1pkx n THR 15 Cb 0.23 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 1pkx n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkx n GLY 16 N 3.34 1.06 0.32 3.41 0.00 -1.26 -4.80 105.19 107.25 1pkx n GLY 16 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1pkx n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pkx h LEU 17 N 0.00 -0.90 -0.22 0.99 5.85 -1.61 -2.20 115.31 117.22 1pkx h LEU 17 Ca 0.00 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1pkx h LEU 17 Cb 0.00 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1pkx h LEU 17 CO 0.00 -0.36 -0.08 0.58 -0.34 0.00 0.00 178.44 178.23 1pkx h VAL 18 N -0.44 0.72 -0.71 1.05 2.07 -1.91 -1.13 116.25 115.90 1pkx h VAL 18 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1pkx h VAL 18 Cb 0.53 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1pkx h VAL 18 CO -0.26 0.00 0.27 -0.08 0.02 0.00 0.00 177.57 177.51 1pkx h GLU 19 N -0.04 1.06 0.06 1.57 4.81 -1.95 -0.77 114.58 119.32 1pkx h GLU 19 Ca 0.11 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1pkx h GLU 19 Cb 0.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1pkx h GLU 19 CO -0.25 0.87 -0.03 0.35 -0.73 0.00 0.00 179.01 179.22 1pkx h PHE 20 N 1.04 -0.08 -0.92 0.92 3.57 -1.04 -1.40 116.94 119.03 1pkx h PHE 20 Ca 0.24 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1pkx h PHE 20 Cb 0.22 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1pkx h PHE 20 CO 0.02 0.14 0.61 0.00 -2.23 0.00 0.00 178.31 176.85 1pkx h ALA 21 N 0.62 1.40 -0.56 2.41 0.00 -1.05 -1.37 119.26 120.72 1pkx h ALA 21 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1pkx h ALA 21 Cb 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pkx h ALA 21 CO 0.01 0.51 0.01 -0.09 0.00 0.00 0.00 179.25 179.70 1pkx h ARG 22 N 1.17 0.95 -0.76 0.00 2.43 -0.97 -1.33 114.38 115.87 1pkx h ARG 22 Ca 0.36 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1pkx h ARG 22 Cb -0.01 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1pkx h ARG 22 CO -0.10 0.93 0.29 -0.91 -1.51 0.00 0.00 179.97 178.67 1pkx h ASN 23 N 0.88 1.04 -0.12 -3.80 2.35 -0.51 -2.15 115.58 113.28 1pkx h ASN 23 Ca 0.16 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1pkx h ASN 23 Cb 0.50 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1pkx h ASN 23 CO 0.02 0.93 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.40 1pkx h LEU 24 N 1.10 0.58 -0.86 1.61 3.38 -0.84 -2.59 115.31 117.70 1pkx h LEU 24 Ca 0.25 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1pkx h LEU 24 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1pkx h LEU 24 CO -0.02 0.83 -0.57 0.71 0.09 0.00 0.00 178.44 179.48 1pkx h THR 25 N 0.50 1.40 0.00 0.22 1.35 -0.96 -1.75 112.91 113.67 1pkx h THR 25 Ca 0.07 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1pkx h THR 25 Cb 0.72 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1pkx h THR 25 CO 0.06 0.56 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1pkx h ALA 26 N 1.43 1.00 -0.01 6.62 0.00 -1.12 -1.19 119.26 125.99 1pkx h ALA 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pkx h ALA 26 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pkx h ALA 26 CO 0.07 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.53 1pkx n LEU 27 N -3.02 1.29 0.00 0.00 4.77 -0.93 -4.95 117.00 114.16 1pkx n LEU 27 Ca 0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1pkx n LEU 27 Cb 0.31 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1pkx n LEU 27 CO 0.27 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1pkx n GLY 28 N 1.22 0.68 3.89 -0.72 0.00 -0.45 -5.08 105.19 104.72 1pkx n GLY 28 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1pkx n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 29 N 0.00 3.65 -0.06 0.99 1.02 -0.70 -4.41 118.68 119.17 1pkx s LEU 29 Ca 0.00 1.08 -0.01 0.00 0.02 0.00 0.00 54.13 55.22 1pkx s LEU 29 Cb 0.00 -4.02 -0.03 0.00 0.02 0.00 0.00 46.19 42.16 1pkx s LEU 29 CO 0.00 -0.55 0.01 0.20 0.02 0.00 0.00 176.35 176.03 1pkx s ASN 30 N -3.75 5.25 -0.08 2.29 0.01 -0.27 -4.26 114.94 114.13 1pkx s ASN 30 Ca 0.50 0.11 -0.14 0.00 -0.71 0.00 0.00 52.86 52.62 1pkx s ASN 30 Cb -0.10 -1.46 -0.05 0.00 0.41 0.00 0.00 41.25 40.05 1pkx s ASN 30 CO 0.41 0.35 0.35 -0.76 -1.51 0.00 0.00 177.10 175.94 1pkx s LEU 31 N -1.11 4.37 -0.02 0.60 1.43 -1.26 -0.45 118.68 122.23 1pkx s LEU 31 Ca 0.16 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 1pkx s LEU 31 Cb -0.11 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1pkx s LEU 31 CO 0.05 0.23 -0.12 -0.69 0.23 0.00 0.00 176.35 176.05 1pkx s VAL 32 N -0.41 0.99 0.23 -1.59 1.01 -0.08 -1.68 120.40 118.88 1pkx s VAL 32 Ca 0.21 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 1pkx s VAL 32 Cb -0.15 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1pkx s VAL 32 CO 0.09 0.29 0.95 0.00 0.00 0.00 0.00 175.10 176.43 1pkx n ALA 33 N 3.05 -2.41 -3.42 5.51 0.00 -0.72 -1.41 120.51 121.12 1pkx n ALA 33 Ca -0.16 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.10 1pkx n ALA 33 Cb 0.55 0.67 -0.01 0.00 0.00 0.00 0.00 19.45 20.65 1pkx n ALA 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pkx s SER 34 N -3.30 0.27 0.40 0.00 0.01 -1.26 -2.10 113.70 107.72 1pkx s SER 34 Ca 0.21 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1pkx s SER 34 Cb -0.03 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1pkx s SER 34 CO 0.07 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.88 1pkx n GLY 35 N -0.51 1.80 0.27 3.44 0.00 -1.26 -1.57 105.19 107.36 1pkx n GLY 35 Ca -0.04 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.73 1pkx n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pkx h GLY 36 N 0.00 0.00 0.70 -0.02 0.00 -1.99 -1.95 103.07 99.81 1pkx h GLY 36 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1pkx h GLY 36 CO 0.00 0.00 -0.20 -0.84 0.00 0.00 0.00 176.54 175.50 1pkx h THR 37 N 0.00 1.39 -0.65 4.70 2.02 -1.77 -1.61 112.91 116.99 1pkx h THR 37 Ca -0.00 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.72 1pkx h THR 37 Cb 0.06 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1pkx h THR 37 CO 0.00 0.43 0.42 0.00 0.37 0.00 0.00 175.52 176.74 1pkx h ALA 38 N 0.53 0.83 -0.55 6.16 0.00 -0.97 -1.53 119.26 123.72 1pkx h ALA 38 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pkx h ALA 38 Cb 0.78 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1pkx h ALA 38 CO 0.05 0.22 0.29 -0.22 0.00 0.00 0.00 179.25 179.59 1pkx h LYS 39 N 0.85 0.78 -0.65 0.00 3.64 -1.31 0.11 116.57 119.99 1pkx h LYS 39 Ca 0.24 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1pkx h LYS 39 Cb -0.07 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1pkx h LYS 39 CO -0.07 0.61 0.39 0.00 -2.27 0.00 0.00 179.45 178.11 1pkx h ALA 40 N 1.13 0.83 -0.28 5.00 0.00 -1.02 0.88 119.26 125.79 1pkx h ALA 40 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pkx h ALA 40 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pkx h ALA 40 CO -0.03 0.31 0.14 -0.07 0.00 0.00 0.00 179.25 179.61 1pkx h LEU 41 N 0.88 0.37 -0.57 0.00 3.38 -0.67 -2.42 115.31 116.29 1pkx h LEU 41 Ca 0.23 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1pkx h LEU 41 Cb -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pkx h LEU 41 CO -0.04 0.38 -0.10 0.03 0.09 0.00 0.00 178.44 178.80 1pkx h ARG 42 N 0.33 1.05 0.00 1.13 3.08 -0.54 -2.13 114.38 117.30 1pkx h ARG 42 Ca 0.10 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1pkx h ARG 42 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pkx h ARG 42 CO -0.01 1.08 -0.14 -0.44 -1.07 0.00 0.00 179.97 179.38 1pkx h ASP 43 N 0.93 0.00 0.14 7.04 3.32 -0.80 -0.67 116.42 126.39 1pkx h ASP 43 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pkx h ASP 43 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1pkx h ASP 43 CO 0.05 0.14 -0.03 0.00 -1.72 0.00 0.00 179.24 177.68 1pkx n ALA 44 N -2.28 2.67 -0.53 3.45 0.00 -0.92 -4.91 120.51 117.99 1pkx n ALA 44 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1pkx n ALA 44 Cb 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1pkx n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkx n GLY 45 N 1.14 0.70 3.89 0.00 0.00 -0.26 -5.08 105.19 105.59 1pkx n GLY 45 Ca 0.19 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1pkx n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 46 N 0.00 4.35 -0.02 0.99 1.43 -0.84 -5.02 118.68 119.57 1pkx s LEU 46 Ca 0.00 0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 1pkx s LEU 46 Cb 0.00 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1pkx s LEU 46 CO 0.00 0.20 1.07 0.00 0.23 0.00 0.00 176.35 177.85 1pkx s ALA 47 N -1.40 3.31 -0.09 4.21 0.00 -1.26 -4.21 121.76 122.33 1pkx s ALA 47 Ca 0.31 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 1pkx s ALA 47 Cb -0.13 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1pkx s ALA 47 CO 0.19 -0.43 0.31 0.08 0.00 0.00 0.00 175.76 175.91 1pkx s VAL 48 N 1.41 0.02 -0.09 0.00 1.01 -1.26 -4.50 120.40 116.98 1pkx s VAL 48 Ca 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1pkx s VAL 48 Cb -0.23 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1pkx s VAL 48 CO 0.25 -0.09 -0.04 -0.13 0.00 0.00 0.00 175.10 175.09 1pkx s ARG 49 N -0.32 3.02 0.61 2.72 0.52 -0.67 -4.98 118.95 119.84 1pkx s ARG 49 Ca -0.04 -0.49 -0.17 0.00 -0.52 0.00 0.00 55.73 54.50 1pkx s ARG 49 Cb -0.03 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1pkx s ARG 49 CO 0.02 0.59 1.12 0.34 0.02 0.00 0.00 175.30 177.39 1pkx s ASP 50 N -0.59 5.35 0.61 0.23 2.15 -1.25 -1.75 116.67 121.42 1pkx s ASP 50 Ca 0.09 2.10 0.32 0.00 0.43 0.00 0.00 52.55 55.49 1pkx s ASP 50 Cb -0.12 -2.57 1.82 0.00 -0.30 0.00 0.00 42.92 41.75 1pkx s ASP 50 CO 0.02 -1.47 2.16 0.58 -0.17 0.00 0.00 175.17 176.29 1pkx h VAL 51 N 0.56 0.36 -0.32 1.11 2.07 -1.80 0.90 116.25 119.12 1pkx h VAL 51 Ca -0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1pkx h VAL 51 Cb 1.26 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1pkx h VAL 51 CO 0.55 0.00 0.18 0.28 0.02 0.00 0.00 177.57 178.60 1pkx h SER 52 N 0.00 0.38 0.21 0.57 0.02 -1.89 -1.54 113.55 111.30 1pkx h SER 52 Ca 0.05 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pkx h SER 52 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1pkx h SER 52 CO -0.00 0.31 0.00 -0.62 -1.14 0.00 0.00 176.83 175.38 1pkx n GLU 53 N -4.45 0.39 -0.08 3.45 1.02 0.31 0.44 120.64 121.71 1pkx n GLU 53 Ca 0.02 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1pkx n GLU 53 Cb 0.09 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1pkx n GLU 53 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pkx n LEU 54 N -1.18 2.62 0.08 -4.62 4.77 -0.63 -4.70 117.00 113.33 1pkx n LEU 54 Ca 0.11 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1pkx n LEU 54 Cb 0.12 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 1pkx n LEU 54 CO 0.13 0.68 -0.38 0.71 -1.33 0.00 0.00 177.39 177.20 1pkx h THR 55 N -0.12 1.11 0.00 -5.08 1.35 -1.30 -3.46 112.91 105.41 1pkx h THR 55 Ca -0.37 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 1pkx h THR 55 Cb 1.51 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 1pkx h THR 55 CO -0.10 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1pkx n GLY 56 N 1.73 0.47 3.80 5.82 0.00 0.17 -4.98 105.19 112.20 1pkx n GLY 56 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1pkx n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pkx s PHE 57 N -2.16 3.65 0.49 1.61 5.36 -1.26 -5.05 117.98 120.62 1pkx s PHE 57 Ca 0.00 1.60 -0.20 0.00 -0.96 0.00 0.00 56.93 57.37 1pkx s PHE 57 Cb 0.00 -2.79 -0.08 0.00 -0.34 0.00 0.00 43.02 39.81 1pkx s PHE 57 CO 0.00 0.24 1.04 -1.25 -1.46 0.00 0.00 175.22 173.79 1pkx s PRO 58 N -2.10 3.79 0.44 10.12 0.04 -1.26 -4.89 135.00 141.14 1pkx s PRO 58 Ca 0.48 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1pkx s PRO 58 Cb -0.17 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1pkx s PRO 58 CO 0.22 -0.44 1.32 -2.00 0.04 0.00 0.00 177.00 176.14 1pkx s GLU 59 N -3.28 3.77 -0.11 4.56 2.56 -1.26 -5.01 118.70 119.94 1pkx s GLU 59 Ca 0.67 2.17 -0.32 0.00 0.00 0.00 0.00 54.97 57.48 1pkx s GLU 59 Cb -0.16 -2.63 0.12 0.00 2.00 0.00 0.00 34.13 33.47 1pkx s GLU 59 CO 0.21 -0.66 1.08 0.00 -0.56 0.00 0.00 175.26 175.33 1pkx s MET 60 N -2.43 0.52 -1.64 4.30 0.23 -1.26 -5.00 119.30 114.02 1pkx s MET 60 Ca 0.60 -0.19 -0.15 0.00 -1.03 0.00 0.00 55.69 54.92 1pkx s MET 60 Cb -0.38 0.24 0.12 0.00 -1.53 0.00 0.00 34.83 33.28 1pkx s MET 60 CO 0.48 -0.23 0.77 1.28 -2.03 0.00 0.00 175.02 175.29 1pkx n LEU 61 N -0.16 -1.91 -2.25 0.18 4.32 -1.26 -1.21 117.00 114.70 1pkx n LEU 61 Ca -0.03 -0.97 -0.15 0.00 -0.02 0.00 0.00 56.01 54.83 1pkx n LEU 61 Cb 0.60 -2.18 -0.02 0.00 -1.62 0.00 0.00 43.42 40.20 1pkx n LEU 61 CO 0.10 0.34 -0.18 0.61 -1.22 0.00 0.00 177.39 177.04 1pkx n GLY 62 N -1.53 -0.16 1.85 -0.72 0.00 -1.26 -1.29 105.19 102.07 1pkx n GLY 62 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pkx n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkx n GLY 63 N -0.76 0.53 0.25 -0.02 0.00 -0.35 -4.94 105.19 99.90 1pkx n GLY 63 Ca -0.17 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 45.98 1pkx n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pkx h ARG 64 N 1.18 0.00 0.00 1.61 3.08 -1.30 -3.15 114.38 115.79 1pkx h ARG 64 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pkx h ARG 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pkx h ARG 64 CO 0.00 0.00 -0.09 1.33 -1.07 0.00 0.00 179.97 180.14 1pkx n VAL 65 N -2.78 0.91 0.31 2.04 0.24 -1.26 -4.78 118.33 113.01 1pkx n VAL 65 Ca -0.01 -1.03 0.19 0.00 -2.04 0.00 0.00 64.34 61.45 1pkx n VAL 65 Cb 0.15 0.37 0.97 0.00 -1.47 0.00 0.00 33.84 33.86 1pkx n VAL 65 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1pkx h LYS 66 N 0.00 0.00 -0.01 7.34 2.10 -1.88 -2.49 116.57 121.63 1pkx h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pkx h LYS 66 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1pkx h LYS 66 CO 0.00 0.03 -0.32 0.25 -2.00 0.00 0.00 179.45 177.41 1pkx n THR 67 N -3.27 0.00 -2.32 0.07 -2.24 -1.26 -4.61 114.28 100.64 1pkx n THR 67 Ca -0.02 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 1pkx n THR 67 Cb 0.16 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1pkx n THR 67 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pkx n LEU 68 N 0.11 7.11 -3.94 3.22 4.77 -0.94 -4.65 117.00 122.68 1pkx n LEU 68 Ca 0.08 -4.83 -0.10 0.00 -0.03 0.00 0.00 56.01 51.13 1pkx n LEU 68 Cb 0.40 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 1pkx n LEU 68 CO 0.21 1.67 -0.36 -2.28 -1.33 0.00 0.00 177.39 175.30 1pkx s HIS 69 N -0.74 0.17 0.34 -1.77 2.46 -1.26 -5.05 115.29 109.44 1pkx s HIS 69 Ca 0.43 -0.34 0.07 0.00 0.47 0.00 0.00 55.06 55.69 1pkx s HIS 69 Cb 0.12 -0.12 0.75 0.00 -0.13 0.00 0.00 32.58 33.20 1pkx s HIS 69 CO -0.02 -0.12 1.89 -1.35 -2.47 0.00 0.00 174.74 172.67 1pkx h PRO 70 N 5.19 0.75 -0.56 2.88 0.11 -1.97 -1.03 132.00 137.37 1pkx h PRO 70 Ca -0.29 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.83 1pkx h PRO 70 Cb 1.21 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1pkx h PRO 70 CO 0.45 0.49 0.37 0.00 -0.21 0.00 0.00 178.00 179.10 1pkx h ALA 71 N 1.58 1.84 0.00 -0.75 0.00 -1.93 0.67 119.26 120.67 1pkx h ALA 71 Ca 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pkx h ALA 71 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pkx h ALA 71 CO -0.19 0.07 -0.00 0.28 0.00 0.00 0.00 179.25 179.42 1pkx h VAL 72 N 0.54 0.37 -0.10 0.00 2.07 -1.53 -3.10 116.25 114.50 1pkx h VAL 72 Ca 0.24 -1.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 1pkx h VAL 72 Cb 0.27 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1pkx h VAL 72 CO -0.07 0.13 -0.37 0.45 0.02 0.00 0.00 177.57 177.73 1pkx h HIS 73 N -1.00 0.24 -0.32 1.57 3.86 -1.19 -1.77 115.15 116.56 1pkx h HIS 73 Ca -0.00 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 1pkx h HIS 73 Cb 0.21 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1pkx h HIS 73 CO 0.06 0.56 -0.28 0.00 0.86 0.00 0.00 177.93 179.13 1pkx h ALA 74 N 1.44 0.92 -0.84 2.45 0.00 0.18 0.12 119.26 123.53 1pkx h ALA 74 Ca 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1pkx h ALA 74 Cb 0.74 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1pkx h ALA 74 CO 0.06 0.62 0.56 0.78 0.00 0.00 0.00 179.25 181.26 1pkx h GLY 75 N 1.00 1.20 1.01 0.00 0.00 -1.30 -1.36 103.07 103.62 1pkx h GLY 75 Ca 0.07 -0.41 -0.31 0.00 0.00 0.00 0.00 47.33 46.68 1pkx h GLY 75 CO 0.06 0.36 -1.41 -2.22 0.00 0.00 0.00 176.54 173.33 1pkx h ILE 76 N 1.05 1.23 0.00 2.60 2.04 -1.05 -0.46 117.51 122.92 1pkx h ILE 76 Ca 0.33 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1pkx h ILE 76 Cb 0.03 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1pkx h ILE 76 CO -0.10 0.79 -0.62 0.18 0.00 0.00 0.00 178.15 178.40 1pkx n LEU 77 N -3.79 0.58 -4.77 1.44 4.77 0.40 -4.83 117.00 110.79 1pkx n LEU 77 Ca -0.19 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 1pkx n LEU 77 Cb 1.03 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.91 1pkx n LEU 77 CO 0.55 0.07 1.06 0.00 -1.33 0.00 0.00 177.39 177.73 1pkx s ALA 78 N -3.07 3.50 0.27 -1.18 0.00 -0.53 -5.00 121.76 115.74 1pkx s ALA 78 Ca 0.09 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.52 1pkx s ALA 78 Cb 0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1pkx s ALA 78 CO 0.72 -0.89 0.40 1.03 0.00 0.00 0.00 175.76 177.03 1pkx s ARG 79 N -2.02 3.36 -1.35 0.00 0.52 -1.26 -5.01 118.95 113.19 1pkx s ARG 79 Ca 0.52 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 1pkx s ARG 79 Cb -0.43 -2.85 0.12 0.00 0.52 0.00 0.00 34.95 32.30 1pkx s ARG 79 CO 0.58 0.32 2.03 -1.71 0.02 0.00 0.00 175.30 176.53 1pkx n ASN 80 N -1.50 4.69 -4.07 0.23 5.15 -1.26 -4.48 115.26 114.03 1pkx n ASN 80 Ca -0.07 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 50.81 1pkx n ASN 80 Cb 0.57 -1.55 -0.11 0.00 -0.53 0.00 0.00 39.78 38.17 1pkx n ASN 80 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1pkx s ILE 81 N 1.44 0.37 0.16 -1.44 -4.36 -1.26 -5.05 121.20 111.06 1pkx s ILE 81 Ca 0.43 -1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 59.13 1pkx s ILE 81 Cb 0.12 -0.99 0.00 0.00 1.25 0.00 0.00 42.46 42.83 1pkx s ILE 81 CO -0.03 -0.69 1.56 -0.65 0.24 0.00 0.00 174.94 175.37 1pkx h PRO 82 N 3.84 -0.24 -0.46 0.37 0.11 -1.99 -0.58 132.00 133.05 1pkx h PRO 82 Ca -0.34 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1pkx h PRO 82 Cb 1.18 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1pkx h PRO 82 CO 0.53 -0.16 0.02 0.93 -0.21 0.00 0.00 178.00 179.11 1pkx h GLU 83 N -0.25 0.13 -0.54 1.05 3.07 -1.98 -1.45 114.58 114.62 1pkx h GLU 83 Ca 0.16 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1pkx h GLU 83 Cb 0.56 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1pkx h GLU 83 CO -0.69 0.09 -0.12 -0.44 -1.40 0.00 0.00 179.01 176.45 1pkx h ASP 84 N 0.13 1.03 -0.59 1.42 5.19 -1.73 -2.21 116.42 119.67 1pkx h ASP 84 Ca 0.23 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1pkx h ASP 84 Cb 0.33 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1pkx h ASP 84 CO -0.37 1.15 0.32 0.78 -3.12 0.00 0.00 179.24 178.00 1pkx h ASN 85 N 0.90 0.77 0.17 6.45 2.35 -0.62 -0.84 115.58 124.75 1pkx h ASN 85 Ca 0.14 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1pkx h ASN 85 Cb 0.69 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1pkx h ASN 85 CO 0.05 0.64 -0.60 0.00 -1.65 0.00 0.00 177.43 175.87 1pkx h ALA 86 N 1.49 0.72 -0.25 -0.83 0.00 -1.12 -1.07 119.26 118.21 1pkx h ALA 86 Ca 0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1pkx h ALA 86 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1pkx h ALA 86 CO -0.03 0.71 0.05 -0.44 0.00 0.00 0.00 179.25 179.54 1pkx h ASP 87 N 0.32 0.38 -0.60 0.00 3.32 -0.88 0.55 116.42 119.52 1pkx h ASP 87 Ca -0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1pkx h ASP 87 Cb 1.14 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1pkx h ASP 87 CO 0.11 0.52 0.09 0.24 -1.72 0.00 0.00 179.24 178.47 1pkx h MET 88 N 0.22 0.99 -0.35 3.56 2.86 -1.09 -1.78 114.93 119.35 1pkx h MET 88 Ca 0.08 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1pkx h MET 88 Cb 0.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1pkx h MET 88 CO 0.00 0.94 -0.01 0.00 1.06 0.00 0.00 176.91 178.90 1pkx h ALA 89 N 1.01 0.47 -0.20 6.32 0.00 -1.13 0.17 119.26 125.90 1pkx h ALA 89 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pkx h ALA 89 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pkx h ALA 89 CO 0.01 0.25 0.14 -0.09 0.00 0.00 0.00 179.25 179.56 1pkx h ARG 90 N 0.43 0.27 -0.01 0.00 2.43 -0.72 -1.88 114.38 114.90 1pkx h ARG 90 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1pkx h ARG 90 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1pkx h ARG 90 CO 0.02 0.18 -0.64 1.28 -1.51 0.00 0.00 179.97 179.30 1pkx n LEU 91 N -4.51 1.40 -2.72 3.80 4.77 -0.68 -4.98 117.00 114.08 1pkx n LEU 91 Ca 0.00 -0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 55.28 1pkx n LEU 91 Cb 0.07 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1pkx n LEU 91 CO 0.35 0.29 0.17 -0.67 -1.33 0.00 0.00 177.39 176.19 1pkx n ASP 92 N -0.77 -4.86 -4.79 -1.43 -0.08 0.41 -5.02 116.55 100.02 1pkx n ASP 92 Ca 0.07 -0.39 -0.36 0.00 -1.51 0.00 0.00 54.79 52.60 1pkx n ASP 92 Cb 0.39 -3.75 -0.07 0.00 2.34 0.00 0.00 41.12 40.03 1pkx n ASP 92 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pkx s PHE 93 N -3.23 3.48 0.35 -0.67 0.08 -0.20 -5.03 117.98 112.76 1pkx s PHE 93 Ca 0.38 0.40 -0.06 0.00 0.12 0.00 0.00 56.93 57.78 1pkx s PHE 93 Cb -0.17 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1pkx s PHE 93 CO 0.52 0.48 0.64 1.21 -0.10 0.00 0.00 175.22 177.98 1pkx s ASN 94 N -0.27 6.43 0.18 1.36 3.84 -1.26 -4.66 114.94 120.57 1pkx s ASN 94 Ca 0.11 0.84 -0.24 0.00 0.21 0.00 0.00 52.86 53.77 1pkx s ASN 94 Cb -0.11 -2.20 -0.08 0.00 -0.55 0.00 0.00 41.25 38.31 1pkx s ASN 94 CO 0.01 -0.31 0.78 -0.76 -2.79 0.00 0.00 177.10 174.03 1pkx s LEU 95 N -3.84 4.55 -0.29 3.21 1.43 -1.26 -4.40 118.68 118.08 1pkx s LEU 95 Ca 0.46 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1pkx s LEU 95 Cb -0.10 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1pkx s LEU 95 CO 0.33 0.17 0.24 -0.63 0.23 0.00 0.00 176.35 176.68 1pkx s ILE 96 N -1.23 5.28 -0.11 -0.59 1.01 -0.18 -2.69 121.20 122.69 1pkx s ILE 96 Ca 0.37 0.18 0.16 0.00 0.00 0.00 0.00 60.65 61.37 1pkx s ILE 96 Cb -0.22 -3.60 -0.20 0.00 0.01 0.00 0.00 42.46 38.45 1pkx s ILE 96 CO 0.25 0.18 0.59 -1.14 0.00 0.00 0.00 174.94 174.83 1pkx n ARG 97 N 5.13 0.64 -4.48 2.79 0.63 -0.12 -4.58 116.66 116.67 1pkx n ARG 97 Ca -0.13 0.17 -0.21 0.00 -0.92 0.00 0.00 57.85 56.77 1pkx n ARG 97 Cb 0.51 -1.73 -0.15 0.00 0.45 0.00 0.00 32.46 31.55 1pkx n ARG 97 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pkx s VAL 98 N -2.77 0.89 -0.15 5.15 1.01 -1.17 -1.70 120.40 121.66 1pkx s VAL 98 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1pkx s VAL 98 Cb 0.08 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.73 1pkx s VAL 98 CO 0.83 0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 175.46 1pkx s VAL 99 N -0.04 0.94 -0.26 2.92 1.01 -0.19 -0.91 120.40 123.87 1pkx s VAL 99 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1pkx s VAL 99 Cb -0.07 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1pkx s VAL 99 CO 0.00 0.12 0.06 0.00 0.00 0.00 0.00 175.10 175.28 1pkx s ALA 100 N 1.71 3.10 -0.25 5.51 0.00 0.02 -0.90 121.76 130.94 1pkx s ALA 100 Ca 0.01 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1pkx s ALA 100 Cb -0.15 -2.05 0.07 0.00 0.00 0.00 0.00 23.12 20.99 1pkx s ALA 100 CO -0.07 -0.57 0.67 0.00 0.00 0.00 0.00 175.76 175.78 1pkx s ASN 102 N 0.60 -0.11 0.02 0.00 2.20 -1.21 -3.82 114.94 112.62 1pkx s ASN 102 Ca -0.02 -0.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.88 1pkx s ASN 102 Cb -0.05 0.28 -0.04 0.00 -2.00 0.00 0.00 41.25 39.44 1pkx s ASN 102 CO -0.03 -0.41 0.17 -0.76 -2.94 0.00 0.00 177.10 173.13 1pkx s LEU 103 N -1.29 4.25 0.14 3.54 1.43 -1.26 -1.90 118.68 123.59 1pkx s LEU 103 Ca -0.13 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1pkx s LEU 103 Cb -0.06 -2.64 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 1pkx s LEU 103 CO 0.03 0.23 1.34 -0.47 0.23 0.00 0.00 176.35 177.72 1pkx s TYR 104 N -1.36 3.27 0.06 0.29 5.04 -1.26 -4.88 117.35 118.51 1pkx s TYR 104 Ca 0.29 1.09 -0.34 0.00 -2.44 0.00 0.00 57.07 55.66 1pkx s TYR 104 Cb -0.13 -3.63 -0.13 0.00 0.35 0.00 0.00 41.96 38.42 1pkx s TYR 104 CO 0.21 -2.09 1.68 -2.30 -1.34 0.00 0.00 175.55 171.70 1pkx n PRO 105 N 3.42 2.10 0.21 4.97 -0.02 -1.26 -4.87 135.00 139.55 1pkx n PRO 105 Ca 0.09 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.38 1pkx n PRO 105 Cb 0.43 -2.55 0.45 0.00 -0.02 0.00 0.00 33.50 31.80 1pkx n PRO 105 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1pkx h PHE 106 N 7.03 0.00 -0.06 6.00 3.57 -1.94 -1.82 116.94 129.72 1pkx h PHE 106 Ca -0.46 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1pkx h PHE 106 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1pkx h PHE 106 CO 0.71 0.26 -0.06 -0.39 -2.23 0.00 0.00 178.31 176.61 1pkx h VAL 107 N 0.00 1.08 -0.08 1.41 -1.51 -1.96 -2.12 116.25 113.07 1pkx h VAL 107 Ca -0.00 -0.35 -0.20 0.00 -1.23 0.00 0.00 66.70 64.91 1pkx h VAL 107 Cb 0.47 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1pkx h VAL 107 CO 0.03 0.11 -0.77 0.11 -1.23 0.00 0.00 177.57 175.82 1pkx h LYS 108 N 0.09 0.49 -0.15 5.19 1.57 -1.71 -2.22 116.57 119.83 1pkx h LYS 108 Ca 0.02 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1pkx h LYS 108 Cb 0.16 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1pkx h LYS 108 CO 0.01 1.05 0.05 1.15 -0.57 0.00 0.00 179.45 181.15 1pkx h THR 109 N 0.33 0.97 -0.20 -0.16 2.02 -1.27 -2.72 112.91 111.87 1pkx h THR 109 Ca -0.04 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1pkx h THR 109 Cb 1.37 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1pkx h THR 109 CO 0.14 0.02 -0.11 0.58 0.37 0.00 0.00 175.52 176.52 1pkx h VAL 110 N 0.13 1.19 0.00 3.16 2.07 -1.43 -2.92 116.25 118.44 1pkx h VAL 110 Ca 0.07 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pkx h VAL 110 Cb 0.04 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1pkx h VAL 110 CO -0.07 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1pkx h ALA 111 N 1.59 1.00 -2.51 1.67 0.00 -1.11 -3.45 119.26 116.45 1pkx h ALA 111 Ca 0.06 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.41 1pkx h ALA 111 Cb 0.39 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.25 1pkx h ALA 111 CO 0.02 0.00 0.80 0.45 0.00 0.00 0.00 179.25 180.52 1pkx n SER 112 N -2.31 3.37 -4.66 0.00 2.88 -1.06 -4.82 113.62 107.02 1pkx n SER 112 Ca 0.05 1.12 -0.53 0.00 -1.33 0.00 0.00 58.87 58.18 1pkx n SER 112 Cb 0.38 -1.50 -0.06 0.00 -0.75 0.00 0.00 64.21 62.28 1pkx n SER 112 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1pkx n PRO 113 N 2.62 1.41 -0.44 -1.46 -0.02 -1.26 -2.29 135.00 133.56 1pkx n PRO 113 Ca 0.12 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1pkx n PRO 113 Cb 0.33 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1pkx n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkx n GLY 114 N 3.52 1.81 3.71 -1.23 0.00 -1.26 -4.99 105.19 106.75 1pkx n GLY 114 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1pkx n GLY 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pkx n VAL 115 N -2.00 0.03 -2.61 1.61 3.14 -0.97 -4.98 118.33 112.55 1pkx n VAL 115 Ca 0.00 -0.01 -0.24 0.00 -2.96 0.00 0.00 64.34 61.13 1pkx n VAL 115 Cb 0.00 -1.92 0.03 0.00 -1.06 0.00 0.00 33.84 30.89 1pkx n VAL 115 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1pkx s THR 116 N 1.26 3.49 0.16 1.55 -4.23 -1.26 -4.90 115.64 111.72 1pkx s THR 116 Ca 0.76 -0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.83 1pkx s THR 116 Cb -0.53 -3.35 0.04 0.00 1.34 0.00 0.00 72.50 69.99 1pkx s THR 116 CO 0.34 -0.31 1.77 0.58 -0.54 0.00 0.00 174.62 176.46 1pkx h VAL 117 N 0.01 0.95 -0.86 2.29 2.07 -1.99 -0.10 116.25 118.61 1pkx h VAL 117 Ca -0.45 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1pkx h VAL 117 Cb 1.27 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1pkx h VAL 117 CO 0.58 0.07 0.57 -0.08 0.02 0.00 0.00 177.57 178.73 1pkx h GLU 118 N 0.38 1.12 -0.17 1.57 4.81 -1.99 -0.81 114.58 119.49 1pkx h GLU 118 Ca 0.18 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1pkx h GLU 118 Cb 0.11 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1pkx h GLU 118 CO -0.14 0.74 -0.38 0.93 -0.73 0.00 0.00 179.01 179.43 1pkx h GLU 119 N 1.15 0.37 -0.30 1.92 5.08 -1.80 -1.71 114.58 119.29 1pkx h GLU 119 Ca 0.32 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1pkx h GLU 119 Cb -0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1pkx h GLU 119 CO -0.08 0.70 -0.06 0.00 -1.00 0.00 0.00 179.01 178.57 1pkx h ALA 120 N 1.29 0.41 -0.42 3.43 0.00 -0.49 -3.05 119.26 120.43 1pkx h ALA 120 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1pkx h ALA 120 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1pkx h ALA 120 CO 0.07 0.23 0.02 0.28 0.00 0.00 0.00 179.25 179.84 1pkx h VAL 121 N 0.35 1.22 0.00 0.00 2.07 -1.00 -1.74 116.25 117.14 1pkx h VAL 121 Ca 0.08 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1pkx h VAL 121 Cb 0.54 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1pkx h VAL 121 CO 0.03 0.31 -0.04 -0.33 0.02 0.00 0.00 177.57 177.56 1pkx h GLU 122 N 0.64 0.00 -0.24 1.57 5.08 -1.21 -2.01 114.58 118.41 1pkx h GLU 122 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pkx h GLU 122 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1pkx h GLU 122 CO 0.01 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 1pkx n GLN 123 N -3.44 1.86 -1.88 2.33 6.02 -0.66 -4.92 117.38 116.69 1pkx n GLN 123 Ca -0.02 -1.30 -0.42 0.00 -0.01 0.00 0.00 57.00 55.25 1pkx n GLN 123 Cb 0.15 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1pkx n GLN 123 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pkx s ILE 124 N -1.69 2.46 0.02 5.09 1.01 -0.76 -4.94 121.20 122.38 1pkx s ILE 124 Ca 0.32 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 1pkx s ILE 124 Cb 0.17 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1pkx s ILE 124 CO 0.25 0.03 1.02 -0.62 0.00 0.00 0.00 174.94 175.62 1pkx s ASP 125 N 1.09 7.32 -0.07 3.58 -1.08 -1.26 -4.94 116.67 121.31 1pkx s ASP 125 Ca 0.70 1.73 -0.07 0.00 -0.52 0.00 0.00 52.55 54.40 1pkx s ASP 125 Cb -0.45 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.40 1pkx s ASP 125 CO 0.32 -0.29 -0.15 -0.38 0.52 0.00 0.00 175.17 175.20 1pkx n ILE 126 N 3.86 0.98 -0.13 4.11 2.08 -1.26 -4.60 119.36 124.39 1pkx n ILE 126 Ca 0.06 0.06 -0.10 0.00 0.56 0.00 0.00 62.75 63.34 1pkx n ILE 126 Cb 0.50 -1.78 -0.01 0.00 -0.75 0.00 0.00 39.64 37.60 1pkx n ILE 126 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1pkx h GLY 127 N -0.41 0.71 1.00 7.39 0.00 -1.92 -2.82 103.07 107.02 1pkx h GLY 127 Ca -0.15 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1pkx h GLY 127 CO -0.09 0.45 0.36 -1.33 0.00 0.00 0.00 176.54 175.93 1pkx h GLY 128 N 0.50 0.77 0.69 4.60 0.00 -1.96 -1.39 103.07 106.27 1pkx h GLY 128 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1pkx h GLY 128 CO 0.01 0.28 0.13 -2.08 0.00 0.00 0.00 176.54 174.89 1pkx h VAL 129 N 0.74 0.90 -0.93 4.60 2.07 -1.80 -1.69 116.25 120.13 1pkx h VAL 129 Ca 0.20 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1pkx h VAL 129 Cb -0.08 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1pkx h VAL 129 CO -0.04 0.05 0.61 0.74 0.02 0.00 0.00 177.57 178.95 1pkx h THR 130 N 0.29 1.21 -0.19 2.57 2.02 -1.19 -0.69 112.91 116.91 1pkx h THR 130 Ca 0.17 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1pkx h THR 130 Cb 0.14 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1pkx h THR 130 CO -0.17 0.22 0.10 -0.07 0.37 0.00 0.00 175.52 175.97 1pkx h LEU 131 N 1.23 0.15 -0.19 2.58 3.38 -0.64 -0.52 115.31 121.29 1pkx h LEU 131 Ca 0.35 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1pkx h LEU 131 Cb -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1pkx h LEU 131 CO -0.09 0.12 0.12 -0.07 0.09 0.00 0.00 178.44 178.60 1pkx h LEU 132 N 0.21 0.22 -0.56 1.67 3.38 -0.91 -1.43 115.31 117.89 1pkx h LEU 132 Ca 0.08 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1pkx h LEU 132 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pkx h LEU 132 CO -0.05 0.19 0.10 0.03 0.09 0.00 0.00 178.44 178.81 1pkx h ARG 133 N 0.23 0.93 -0.16 1.13 3.08 -0.98 -0.06 114.38 118.54 1pkx h ARG 133 Ca 0.07 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1pkx h ARG 133 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1pkx h ARG 133 CO -0.01 0.88 0.03 0.00 -1.07 0.00 0.00 179.97 179.80 1pkx h ALA 134 N 1.01 0.22 -0.53 0.04 0.00 -1.03 0.21 119.26 119.17 1pkx h ALA 134 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pkx h ALA 134 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pkx h ALA 134 CO 0.01 -0.13 0.19 0.00 0.00 0.00 0.00 179.25 179.31 1pkx h ALA 135 N 0.83 0.70 -0.54 0.00 0.00 -1.18 -1.98 119.26 117.08 1pkx h ALA 135 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pkx h ALA 135 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pkx h ALA 135 CO 0.00 0.34 0.27 0.00 0.00 0.00 0.00 179.25 179.85 1pkx h ALA 136 N 1.04 0.69 -1.01 0.00 0.00 -0.94 -2.59 119.26 116.47 1pkx h ALA 136 Ca 0.17 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pkx h ALA 136 Cb 0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1pkx h ALA 136 CO -0.01 0.25 0.66 -0.22 0.00 0.00 0.00 179.25 179.93 1pkx h LYS 137 N 0.72 1.23 -1.13 0.00 3.64 -0.64 -2.60 116.57 117.79 1pkx h LYS 137 Ca 0.19 -0.07 -0.49 0.00 -1.27 0.00 0.00 60.65 59.00 1pkx h LYS 137 Cb 0.11 -0.28 -0.24 0.00 -0.41 0.00 0.00 32.23 31.41 1pkx h LYS 137 CO -0.02 0.81 0.63 -1.71 -2.27 0.00 0.00 179.45 176.89 1pkx n ASN 138 N -4.45 5.91 0.00 4.20 5.15 -0.77 -4.58 115.26 120.72 1pkx n ASN 138 Ca 0.14 -3.42 0.04 0.00 -0.60 0.00 0.00 54.58 50.74 1pkx n ASN 138 Cb 0.11 -0.92 0.20 0.00 -0.53 0.00 0.00 39.78 38.63 1pkx n ASN 138 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pkx n HIS 139 N -0.56 0.00 0.24 1.20 1.44 -0.98 -0.71 115.22 115.85 1pkx n HIS 139 Ca 0.49 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.27 1pkx n HIS 139 Cb 0.92 -0.30 0.59 0.00 0.12 0.00 0.00 29.99 31.32 1pkx n HIS 139 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pkx h ALA 140 N 2.37 1.70 0.00 1.59 0.00 -1.88 -3.37 119.26 119.67 1pkx h ALA 140 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pkx h ALA 140 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pkx h ALA 140 CO 0.00 0.15 -0.77 -2.13 0.00 0.00 0.00 179.25 176.50 1pkx n ARG 141 N -4.25 0.00 -3.11 0.00 0.63 -0.62 -4.97 116.66 104.35 1pkx n ARG 141 Ca -0.03 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.51 1pkx n ARG 141 Cb 0.20 -0.87 -0.06 0.00 0.45 0.00 0.00 32.46 32.18 1pkx n ARG 141 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pkx s VAL 142 N -1.78 4.66 -0.34 5.15 1.01 0.11 -4.98 120.40 124.23 1pkx s VAL 142 Ca 0.00 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.31 1pkx s VAL 142 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1pkx s VAL 142 CO 0.00 0.48 0.26 -0.89 0.00 0.00 0.00 175.10 174.95 1pkx s THR 143 N -0.72 5.27 -0.11 3.92 2.01 -0.69 -4.27 115.64 121.05 1pkx s THR 143 Ca 0.33 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1pkx s THR 143 Cb -0.21 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1pkx s THR 143 CO 0.22 -0.02 -0.10 0.54 -0.69 0.00 0.00 174.62 174.57 1pkx s VAL 144 N 1.78 3.40 -0.20 3.82 0.11 -1.26 -1.03 120.40 127.02 1pkx s VAL 144 Ca 0.07 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1pkx s VAL 144 Cb -0.17 -2.42 0.05 0.00 -1.53 0.00 0.00 36.38 32.32 1pkx s VAL 144 CO 0.11 0.55 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.71 1pkx s VAL 145 N -0.11 1.09 -1.55 2.04 1.01 -0.08 -4.69 120.40 118.11 1pkx s VAL 145 Ca 0.00 -0.83 0.15 0.00 0.00 0.00 0.00 61.98 61.30 1pkx s VAL 145 Cb -0.13 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1pkx s VAL 145 CO 0.03 -0.06 0.87 0.00 0.00 0.00 0.00 175.10 175.94 1pkx s GLU 147 N -1.61 1.75 0.49 0.00 0.41 -1.26 -4.67 118.70 113.82 1pkx s GLU 147 Ca 0.14 -1.61 0.34 0.00 -0.41 0.00 0.00 54.97 53.43 1pkx s GLU 147 Cb 0.12 -3.02 1.47 0.00 -1.78 0.00 0.00 34.13 30.92 1pkx s GLU 147 CO 0.31 -0.78 1.72 -1.35 -0.49 0.00 0.00 175.26 174.66 1pkx h PRO 148 N 7.70 0.10 -0.25 0.39 0.11 -1.89 0.64 132.00 138.80 1pkx h PRO 148 Ca -0.11 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.07 1pkx h PRO 148 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1pkx h PRO 148 CO 0.49 0.06 0.23 0.93 -0.21 0.00 0.00 178.00 179.50 1pkx h GLU 149 N 0.10 0.00 -0.00 1.05 5.08 -1.94 -1.70 114.58 117.17 1pkx h GLU 149 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1pkx h GLU 149 Cb 2.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.71 1pkx h GLU 149 CO -0.15 0.00 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.55 1pkx n ASP 150 N -4.04 0.08 -0.12 1.42 8.00 0.22 -4.06 116.55 118.06 1pkx n ASP 150 Ca 0.03 0.16 -0.07 0.00 0.71 0.00 0.00 54.79 55.63 1pkx n ASP 150 Cb 0.37 -0.34 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1pkx n ASP 150 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1pkx h TYR 151 N 0.05 0.36 -0.67 1.24 0.05 -1.43 -1.84 116.97 114.73 1pkx h TYR 151 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1pkx h TYR 151 Cb 0.43 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1pkx h TYR 151 CO 0.00 0.19 0.43 0.28 -1.05 0.00 0.00 178.16 178.01 1pkx h VAL 152 N 0.40 1.11 -0.44 -2.88 2.07 -1.78 0.12 116.25 114.84 1pkx h VAL 152 Ca 0.16 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1pkx h VAL 152 Cb 0.07 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1pkx h VAL 152 CO -0.11 0.15 0.13 0.58 0.02 0.00 0.00 177.57 178.34 1pkx h VAL 153 N 0.84 1.23 -0.29 2.57 2.07 -1.74 -1.05 116.25 119.87 1pkx h VAL 153 Ca 0.26 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1pkx h VAL 153 Cb -0.02 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1pkx h VAL 153 CO -0.09 0.27 0.06 0.58 0.02 0.00 0.00 177.57 178.42 1pkx h VAL 154 N 0.58 1.22 -0.10 2.57 2.07 -1.05 -2.29 116.25 119.25 1pkx h VAL 154 Ca 0.14 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1pkx h VAL 154 Cb 0.29 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1pkx h VAL 154 CO -0.00 0.25 -0.02 0.28 0.02 0.00 0.00 177.57 178.10 1pkx h SER 155 N 0.31 -0.07 -0.74 0.57 0.02 -0.60 -0.92 113.55 112.12 1pkx h SER 155 Ca 0.09 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1pkx h SER 155 Cb 0.31 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1pkx h SER 155 CO 0.00 -0.02 0.47 0.74 -1.14 0.00 0.00 176.83 176.88 1pkx h THR 156 N 0.01 1.13 -0.59 -2.27 2.02 -1.17 -1.49 112.91 110.55 1pkx h THR 156 Ca 0.05 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1pkx h THR 156 Cb 0.07 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1pkx h THR 156 CO -0.09 0.17 0.02 -0.08 0.37 0.00 0.00 175.52 175.91 1pkx h GLU 157 N 0.94 1.02 0.00 6.66 4.81 -1.09 -1.72 114.58 125.20 1pkx h GLU 157 Ca 0.29 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1pkx h GLU 157 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1pkx h GLU 157 CO -0.09 0.99 -0.36 0.52 -0.73 0.00 0.00 179.01 179.33 1pkx h MET 158 N 0.94 0.00 -0.01 1.92 2.86 -0.69 -2.34 114.93 117.60 1pkx h MET 158 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1pkx h MET 158 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1pkx h MET 158 CO 0.03 0.36 -0.14 0.00 1.06 0.00 0.00 176.91 178.21 1pkx n GLN 159 N -3.73 1.24 0.15 1.72 10.64 -0.61 -3.76 117.38 123.03 1pkx n GLN 159 Ca -0.01 -0.74 0.10 0.00 -1.83 0.00 0.00 57.00 54.53 1pkx n GLN 159 Cb 0.45 -1.48 0.06 0.00 -0.86 0.00 0.00 30.24 28.41 1pkx n GLN 159 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1pkx h SER 160 N 1.79 0.00 -4.93 2.61 4.64 -0.74 -3.49 113.55 113.43 1pkx h SER 160 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1pkx h SER 160 Cb 0.52 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.46 1pkx h SER 160 CO 0.00 0.09 -0.62 -0.55 -0.87 0.00 0.00 176.83 174.88 1pkx s SER 161 N -5.83 0.77 0.57 4.97 0.15 -1.25 -5.02 113.70 108.07 1pkx s SER 161 Ca 0.03 -1.38 0.28 0.00 0.70 0.00 0.00 55.95 55.57 1pkx s SER 161 Cb 0.07 0.25 1.72 0.00 -1.71 0.00 0.00 66.02 66.36 1pkx s SER 161 CO 0.74 -0.77 2.22 -0.33 1.20 0.00 0.00 173.24 176.30 1pkx h GLU 162 N 2.48 0.00 -0.24 5.44 5.08 -1.93 -1.28 114.58 124.13 1pkx h GLU 162 Ca -0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1pkx h GLU 162 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1pkx h GLU 162 CO 0.58 0.02 0.01 0.77 -1.00 0.00 0.00 179.01 179.39 1pkx h SER 163 N 0.00 0.32 -6.14 1.42 0.02 -1.95 -3.46 113.55 103.76 1pkx h SER 163 Ca -0.00 -0.04 -0.46 0.00 -0.84 0.00 0.00 61.79 60.44 1pkx h SER 163 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1pkx h SER 163 CO 0.00 0.37 -0.73 0.29 -1.14 0.00 0.00 176.83 175.62 1pkx n LYS 164 N -4.36 -5.41 -4.08 3.45 5.02 -0.48 -4.95 118.16 107.35 1pkx n LYS 164 Ca 0.00 0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1pkx n LYS 164 Cb 0.19 -5.49 -0.08 0.00 -0.02 0.00 0.00 35.03 29.62 1pkx n LYS 164 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pkx s ASP 165 N -3.22 0.14 0.76 4.39 2.15 -1.25 -4.90 116.67 114.73 1pkx s ASP 165 Ca 0.63 -1.11 -0.11 0.00 0.43 0.00 0.00 52.55 52.40 1pkx s ASP 165 Cb -0.32 0.40 0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1pkx s ASP 165 CO 0.78 -0.86 1.12 0.42 -0.17 0.00 0.00 175.17 176.46 1pkx s THR 166 N -4.05 2.39 0.47 1.71 -4.23 -1.26 -4.03 115.64 106.64 1pkx s THR 166 Ca 0.25 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 1pkx s THR 166 Cb 0.05 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1pkx s THR 166 CO 0.05 -0.13 0.74 -0.94 -0.54 0.00 0.00 174.62 173.79 1pkx s SER 167 N -4.52 6.11 0.31 3.99 1.04 -1.26 -4.96 113.70 114.41 1pkx s SER 167 Ca 0.61 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.76 1pkx s SER 167 Cb -0.11 -2.03 0.51 0.00 0.10 0.00 0.00 66.02 64.49 1pkx s SER 167 CO 0.48 -0.61 1.87 0.25 0.98 0.00 0.00 173.24 176.21 1pkx h LEU 168 N 0.29 0.66 -0.74 2.42 5.85 -1.93 -1.85 115.31 120.01 1pkx h LEU 168 Ca -0.47 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 1pkx h LEU 168 Cb 1.22 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1pkx h LEU 168 CO 0.61 0.66 0.31 -0.08 -0.34 0.00 0.00 178.44 179.60 1pkx h GLU 169 N 0.70 1.10 -0.49 1.25 4.57 -1.97 -1.11 114.58 118.63 1pkx h GLU 169 Ca 0.16 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1pkx h GLU 169 Cb 0.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1pkx h GLU 169 CO -0.00 0.89 -0.09 1.15 -1.18 0.00 0.00 179.01 179.78 1pkx h THR 170 N 1.06 1.26 -0.06 0.32 2.02 -1.82 -2.67 112.91 113.02 1pkx h THR 170 Ca 0.25 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 1pkx h THR 170 Cb 0.19 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1pkx h THR 170 CO -0.02 0.41 -0.32 0.03 0.37 0.00 0.00 175.52 176.00 1pkx h ARG 171 N 0.79 0.10 -0.42 6.66 3.08 -0.82 -1.33 114.38 122.45 1pkx h ARG 171 Ca 0.13 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1pkx h ARG 171 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1pkx h ARG 171 CO 0.04 0.41 -0.11 0.00 -1.07 0.00 0.00 179.97 179.24 1pkx h ARG 172 N 0.09 0.81 -0.43 0.04 3.08 -0.98 -0.45 114.38 116.54 1pkx h ARG 172 Ca 0.01 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.64 1pkx h ARG 172 Cb 0.61 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1pkx h ARG 172 CO 0.04 0.94 -0.15 1.96 -1.07 0.00 0.00 179.97 181.69 1pkx h GLN 173 N 0.63 0.80 -0.45 0.04 1.08 -1.18 -2.00 115.11 114.03 1pkx h GLN 173 Ca 0.10 -0.29 -0.12 0.00 -1.45 0.00 0.00 58.65 56.89 1pkx h GLN 173 Cb 0.64 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1pkx h GLN 173 CO 0.04 0.91 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.55 1pkx h LEU 174 N 0.71 0.93 -0.52 1.46 3.38 -1.11 -2.22 115.31 117.94 1pkx h LEU 174 Ca 0.11 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1pkx h LEU 174 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1pkx h LEU 174 CO 0.05 1.10 0.18 0.00 0.09 0.00 0.00 178.44 179.85 1pkx h ALA 175 N 0.97 0.68 -0.63 1.53 0.00 -0.88 -1.40 119.26 119.53 1pkx h ALA 175 Ca 0.11 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pkx h ALA 175 Cb 0.75 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1pkx h ALA 175 CO 0.06 0.33 0.35 1.25 0.00 0.00 0.00 179.25 181.24 1pkx h LEU 176 N 0.72 0.51 -0.76 0.00 5.85 -1.21 -1.30 115.31 119.12 1pkx h LEU 176 Ca 0.17 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1pkx h LEU 176 Cb 0.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1pkx h LEU 176 CO -0.01 0.34 0.24 0.11 -0.34 0.00 0.00 178.44 178.78 1pkx h LYS 177 N 0.65 1.17 -0.20 1.25 1.57 -1.02 -2.36 116.57 117.63 1pkx h LYS 177 Ca 0.28 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1pkx h LYS 177 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pkx h LYS 177 CO -0.17 0.99 0.09 0.00 -0.57 0.00 0.00 179.45 179.79 1pkx h ALA 178 N 1.13 0.25 0.00 3.86 0.00 -0.53 -0.48 119.26 123.49 1pkx h ALA 178 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1pkx h ALA 178 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pkx h ALA 178 CO -0.01 -0.18 -0.23 0.74 0.00 0.00 0.00 179.25 179.57 1pkx h PHE 179 N 0.18 0.00 -0.04 0.00 0.04 -1.22 -1.01 116.94 114.89 1pkx h PHE 179 Ca 0.07 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.61 1pkx h PHE 179 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1pkx h PHE 179 CO -0.02 0.23 -0.89 1.15 -0.60 0.00 0.00 178.31 178.18 1pkx h THR 180 N 0.00 1.36 -0.35 -1.55 2.02 -1.16 -0.86 112.91 112.37 1pkx h THR 180 Ca -0.00 -2.29 -0.02 0.00 0.77 0.00 0.00 66.41 64.87 1pkx h THR 180 Cb 0.55 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1pkx h THR 180 CO 0.03 0.69 0.12 -0.74 0.37 0.00 0.00 175.52 175.99 1pkx h HIS 181 N 0.31 0.54 -0.02 3.16 -0.00 -0.46 -0.91 115.15 117.77 1pkx h HIS 181 Ca -0.07 -0.05 -0.19 0.00 -0.00 0.00 0.00 60.37 60.06 1pkx h HIS 181 Cb 1.52 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.76 1pkx h HIS 181 CO 0.07 0.52 -0.82 1.79 -0.00 0.00 0.00 177.93 179.49 1pkx h THR 182 N 0.41 1.45 -0.44 6.26 1.35 -1.23 -2.02 112.91 118.69 1pkx h THR 182 Ca 0.11 -2.42 -0.03 0.00 -0.55 0.00 0.00 66.41 63.52 1pkx h THR 182 Cb 0.22 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1pkx h THR 182 CO -0.01 0.71 0.16 0.00 -0.25 0.00 0.00 175.52 176.14 1pkx h ALA 183 N 0.96 0.57 -0.40 6.62 0.00 -1.02 -2.09 119.26 123.90 1pkx h ALA 183 Ca -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1pkx h ALA 183 Cb 1.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1pkx h ALA 183 CO 0.13 0.19 -0.06 1.96 0.00 0.00 0.00 179.25 181.47 1pkx h GLN 184 N 0.56 0.67 0.01 0.00 4.20 -1.14 -1.56 115.11 117.85 1pkx h GLN 184 Ca 0.14 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pkx h GLN 184 Cb 0.22 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1pkx h GLN 184 CO -0.01 0.73 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.95 1pkx h TYR 185 N 0.62 -0.01 0.00 2.96 3.20 -1.11 -2.06 116.97 120.57 1pkx h TYR 185 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1pkx h TYR 185 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1pkx h TYR 185 CO 0.02 0.10 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.01 1pkx h ASP 186 N -0.12 0.00 -0.42 -2.11 5.19 -1.27 -1.88 116.42 115.82 1pkx h ASP 186 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1pkx h ASP 186 Cb 0.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1pkx h ASP 186 CO 0.00 0.19 -0.03 -0.08 -3.12 0.00 0.00 179.24 176.20 1pkx h GLU 187 N 0.00 0.76 -0.63 3.56 4.81 -1.10 -0.61 114.58 121.37 1pkx h GLU 187 Ca -0.00 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1pkx h GLU 187 Cb 0.74 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1pkx h GLU 187 CO 0.03 0.86 0.25 0.00 -0.73 0.00 0.00 179.01 179.42 1pkx h ALA 188 N 0.88 0.82 -0.20 2.92 0.00 -1.01 -1.02 119.26 121.64 1pkx h ALA 188 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pkx h ALA 188 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1pkx h ALA 188 CO 0.03 0.43 -0.00 0.82 0.00 0.00 0.00 179.25 180.53 1pkx h ILE 189 N 0.88 1.25 -0.41 0.00 2.04 -1.20 -2.20 117.51 117.88 1pkx h ILE 189 Ca 0.21 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 1pkx h ILE 189 Cb 0.20 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1pkx h ILE 189 CO -0.02 0.27 -0.07 0.77 0.00 0.00 0.00 178.15 179.10 1pkx h SER 190 N 0.12 0.68 -0.68 1.72 4.64 -1.03 -0.67 113.55 118.34 1pkx h SER 190 Ca 0.06 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1pkx h SER 190 Cb 0.40 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1pkx h SER 190 CO 0.01 0.79 0.40 -0.78 -0.87 0.00 0.00 176.83 176.38 1pkx h ASP 191 N 0.64 0.82 -0.43 4.97 3.58 -1.13 -0.47 116.42 124.40 1pkx h ASP 191 Ca 0.12 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1pkx h ASP 191 Cb 0.50 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1pkx h ASP 191 CO 0.03 0.65 0.25 0.22 -2.88 0.00 0.00 179.24 177.50 1pkx h TYR 192 N 0.92 0.58 -0.88 0.28 3.20 -0.92 -1.81 116.97 118.35 1pkx h TYR 192 Ca 0.24 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1pkx h TYR 192 Cb -0.02 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 1pkx h TYR 192 CO -0.01 0.43 0.47 0.74 -1.64 0.00 0.00 178.16 178.15 1pkx h PHE 193 N 0.57 1.22 -0.48 -3.82 -1.00 -0.66 0.47 116.94 113.24 1pkx h PHE 193 Ca 0.15 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1pkx h PHE 193 Cb 0.03 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.18 1pkx h PHE 193 CO -0.03 0.85 0.23 0.00 -1.61 0.00 0.00 178.31 177.75 1pkx h ARG 194 N 1.23 0.69 -0.49 1.51 3.08 -0.79 0.35 114.38 119.97 1pkx h ARG 194 Ca 0.31 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 1pkx h ARG 194 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1pkx h ARG 194 CO -0.05 0.59 -0.20 0.87 -1.07 0.00 0.00 179.97 180.11 1pkx h LYS 195 N 0.63 0.99 0.01 0.04 1.57 -0.90 0.18 116.57 119.09 1pkx h LYS 195 Ca 0.16 -0.41 -0.26 0.00 -1.87 0.00 0.00 60.65 58.27 1pkx h LYS 195 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1pkx h LYS 195 CO -0.02 1.09 -1.43 1.96 -0.57 0.00 0.00 179.45 180.48 1pkx h GLN 196 N 0.86 0.02 -0.00 3.15 1.08 -0.85 -3.37 115.11 116.00 1pkx h GLN 196 Ca 0.12 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1pkx h GLN 196 Cb 0.77 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1pkx h GLN 196 CO 0.06 0.74 -0.13 0.66 -0.95 0.00 0.00 178.83 179.21 1pkx n TYR 197 N -3.20 0.00 -1.78 2.96 4.01 0.10 -4.76 117.16 114.51 1pkx n TYR 197 Ca -0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.69 1pkx n TYR 197 Cb 1.01 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.16 1pkx n TYR 197 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1pkx n SER 198 N -1.06 1.45 -4.69 7.72 2.88 0.59 -5.01 113.62 115.50 1pkx n SER 198 Ca 0.01 -3.03 -0.42 0.00 -1.33 0.00 0.00 58.87 54.10 1pkx n SER 198 Cb 0.04 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1pkx n SER 198 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1pkx s LYS 199 N -1.95 4.16 0.00 -1.46 2.20 -1.03 -0.97 119.74 120.69 1pkx s LYS 199 Ca 0.31 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1pkx s LYS 199 Cb 0.31 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1pkx s LYS 199 CO -0.07 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1pkx n GLY 200 N 4.12 0.92 0.40 5.54 0.00 0.35 -4.87 105.19 111.65 1pkx n GLY 200 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1pkx n GLY 200 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pkx n VAL 201 N -2.08 0.00 0.25 1.61 0.31 -0.15 -4.82 118.33 113.45 1pkx n VAL 201 Ca 0.00 0.14 0.08 0.00 -0.01 0.00 0.00 64.34 64.54 1pkx n VAL 201 Cb 0.00 -1.04 0.13 0.00 -0.91 0.00 0.00 33.84 32.02 1pkx n VAL 201 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1pkx n SER 202 N -2.08 2.73 -3.86 4.52 3.41 -0.95 -1.39 113.62 116.00 1pkx n SER 202 Ca 0.00 -1.80 -0.12 0.00 -0.26 0.00 0.00 58.87 56.69 1pkx n SER 202 Cb 0.00 -0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 1pkx n SER 202 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1pkx s GLN 203 N -1.16 0.28 -0.16 4.33 -0.44 -1.10 -1.78 119.66 119.63 1pkx s GLN 203 Ca 0.24 -0.11 -0.04 0.00 -2.50 0.00 0.00 55.36 52.96 1pkx s GLN 203 Cb 0.15 0.12 0.07 0.00 -1.64 0.00 0.00 33.01 31.71 1pkx s GLN 203 CO 0.20 -0.06 0.17 1.41 0.50 0.00 0.00 175.29 177.52 1pkx s MET 204 N -0.60 0.11 0.52 1.67 -2.45 0.11 0.13 119.30 118.79 1pkx s MET 204 Ca -0.07 0.24 -0.21 0.00 -1.25 0.00 0.00 55.69 54.41 1pkx s MET 204 Cb -0.04 -1.08 -0.06 0.00 1.25 0.00 0.00 34.83 34.90 1pkx s MET 204 CO 0.01 -0.56 1.18 -2.14 1.05 0.00 0.00 175.02 174.56 1pkx s PRO 205 N 2.27 3.42 0.13 4.11 0.02 -1.26 -1.01 135.00 142.68 1pkx s PRO 205 Ca 0.05 1.77 0.10 0.00 0.02 0.00 0.00 61.00 62.95 1pkx s PRO 205 Cb -0.15 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1pkx s PRO 205 CO -0.09 -0.83 -0.25 -0.51 -0.33 0.00 0.00 177.00 174.98 1pkx s LEU 206 N -3.52 2.33 0.30 -5.54 1.43 -0.64 -4.85 118.68 108.19 1pkx s LEU 206 Ca 0.70 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1pkx s LEU 206 Cb -0.28 -1.14 0.50 0.00 0.03 0.00 0.00 46.19 45.29 1pkx s LEU 206 CO 0.33 0.15 1.94 0.08 0.23 0.00 0.00 176.35 179.08 1pkx h ARG 207 N 3.84 1.03 -2.30 1.70 0.11 -1.86 -3.38 114.38 113.53 1pkx h ARG 207 Ca -0.49 -0.06 0.20 0.00 0.10 0.00 0.00 59.98 59.72 1pkx h ARG 207 Cb 1.18 -0.23 -0.07 0.00 1.11 0.00 0.00 29.97 31.96 1pkx h ARG 207 CO 0.40 0.68 0.59 1.52 0.10 0.00 0.00 179.97 183.26 1pkx s TYR 208 N -5.91 -0.03 0.00 4.08 -0.85 -1.26 -4.84 117.35 108.54 1pkx s TYR 208 Ca -0.11 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1pkx s TYR 208 Cb 0.19 0.65 0.00 0.00 0.38 0.00 0.00 41.96 43.18 1pkx s TYR 208 CO 0.79 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 1pkx n GLY 209 N -0.58 0.78 0.31 5.49 0.00 0.81 -4.02 105.19 107.98 1pkx n GLY 209 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1pkx n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1pkx h MET 210 N 0.00 0.29 -3.89 1.61 1.85 -1.96 -3.42 114.93 109.41 1pkx h MET 210 Ca 0.00 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 1pkx h MET 210 Cb 0.00 -0.07 -0.15 0.00 0.43 0.00 0.00 31.60 31.81 1pkx h MET 210 CO 0.00 0.19 -0.47 -0.80 -0.40 0.00 0.00 176.91 175.44 1pkx s ASN 211 N -6.65 0.21 0.43 1.39 0.01 -1.26 -4.95 114.94 104.12 1pkx s ASN 211 Ca -0.07 -0.70 0.24 0.00 -0.71 0.00 0.00 52.86 51.62 1pkx s ASN 211 Cb 0.18 0.29 1.23 0.00 0.41 0.00 0.00 41.25 43.36 1pkx s ASN 211 CO 0.72 -0.66 1.75 -0.65 -1.51 0.00 0.00 177.10 176.76 1pkx h PRO 212 N 3.02 0.27 0.00 -0.60 0.11 -1.95 -0.47 132.00 132.37 1pkx h PRO 212 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1pkx h PRO 212 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pkx h PRO 212 CO 0.57 0.18 0.00 -2.39 -0.21 0.00 0.00 178.00 176.15 1pkx n HIS 213 N -4.55 0.00 -3.24 0.65 1.44 -1.26 -4.53 115.22 103.73 1pkx n HIS 213 Ca 0.27 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.52 1pkx n HIS 213 Cb 1.03 -0.34 -0.02 0.00 0.12 0.00 0.00 29.99 30.78 1pkx n HIS 213 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pkx s GLN 214 N -2.67 3.62 0.06 -1.40 -0.21 -0.19 -5.01 119.66 113.86 1pkx s GLN 214 Ca 0.24 -2.33 0.03 0.00 0.02 0.00 0.00 55.36 53.32 1pkx s GLN 214 Cb 0.19 -4.55 -0.03 0.00 1.00 0.00 0.00 33.01 29.63 1pkx s GLN 214 CO 0.45 -1.40 -0.10 0.95 -2.12 0.00 0.00 175.29 173.08 1pkx s THR 215 N 0.70 0.72 0.67 -0.19 -4.23 -1.26 -0.13 115.64 111.92 1pkx s THR 215 Ca 0.22 -1.20 -0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1pkx s THR 215 Cb -0.09 -0.81 0.15 0.00 1.34 0.00 0.00 72.50 73.09 1pkx s THR 215 CO -0.09 -0.37 0.92 -0.81 -0.54 0.00 0.00 174.62 173.73 1pkx n PRO 216 N 1.30 -0.57 -3.57 3.99 -0.04 -1.26 -5.06 135.00 129.79 1pkx n PRO 216 Ca -0.22 -1.79 -0.12 0.00 -0.04 0.00 0.00 63.50 61.33 1pkx n PRO 216 Cb 0.55 -0.83 -0.05 0.00 -0.04 0.00 0.00 33.50 33.13 1pkx n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pkx s ALA 217 N -3.61 -1.22 0.19 0.55 0.00 -1.26 -4.72 121.76 111.70 1pkx s ALA 217 Ca 0.55 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 1pkx s ALA 217 Cb -0.02 0.58 0.06 0.00 0.00 0.00 0.00 23.12 23.73 1pkx s ALA 217 CO 0.38 -0.60 0.63 1.14 0.00 0.00 0.00 175.76 177.32 1pkx s GLN 218 N -3.15 1.41 -0.08 0.00 -2.07 -1.26 -1.62 119.66 112.89 1pkx s GLN 218 Ca -0.01 -0.61 0.04 0.00 -1.82 0.00 0.00 55.36 52.96 1pkx s GLN 218 Cb 0.00 0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 32.50 1pkx s GLN 218 CO -0.07 -0.63 -0.21 -1.17 -1.32 0.00 0.00 175.29 171.88 1pkx s LEU 219 N -2.79 2.28 0.19 2.60 2.96 -0.18 -4.92 118.68 118.82 1pkx s LEU 219 Ca 0.04 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 1pkx s LEU 219 Cb -0.02 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1pkx s LEU 219 CO -0.08 0.23 0.44 -0.72 -1.32 0.00 0.00 176.35 174.91 1pkx s TYR 220 N -0.07 0.09 0.08 5.38 -0.85 -1.26 -0.72 117.35 120.00 1pkx s TYR 220 Ca -0.05 -0.45 0.02 0.00 -0.52 0.00 0.00 57.07 56.07 1pkx s TYR 220 Cb -0.14 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1pkx s TYR 220 CO 0.04 -0.86 -0.07 -0.08 -1.52 0.00 0.00 175.55 173.06 1pkx s THR 221 N -3.92 0.61 -2.18 -3.49 -1.32 -0.74 -5.02 115.64 99.60 1pkx s THR 221 Ca 0.13 -1.67 0.27 0.00 -1.21 0.00 0.00 61.69 59.21 1pkx s THR 221 Cb 0.00 -1.35 0.44 0.00 -1.51 0.00 0.00 72.50 70.08 1pkx s THR 221 CO -0.01 -0.74 1.68 0.18 -2.21 0.00 0.00 174.62 173.52 1pkx n LEU 222 N 0.41 1.27 -4.92 9.08 4.77 -1.26 -4.87 117.00 121.49 1pkx n LEU 222 Ca -0.15 -0.39 -0.27 0.00 -0.03 0.00 0.00 56.01 55.17 1pkx n LEU 222 Cb 0.59 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1pkx n LEU 222 CO 0.27 0.22 0.63 -1.10 -1.33 0.00 0.00 177.39 176.08 1pkx s GLN 223 N -2.21 2.48 0.52 3.23 -1.52 -1.26 -4.97 119.66 115.93 1pkx s GLN 223 Ca 0.32 -0.03 0.18 0.00 -1.95 0.00 0.00 55.36 53.88 1pkx s GLN 223 Cb 0.20 -2.15 1.31 0.00 -0.22 0.00 0.00 33.01 32.15 1pkx s GLN 223 CO 0.41 -1.09 2.14 -1.35 -0.25 0.00 0.00 175.29 175.15 1pkx h PRO 224 N -0.54 0.00 -2.67 2.91 0.11 -1.98 -3.44 132.00 126.39 1pkx h PRO 224 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1pkx h PRO 224 Cb 1.29 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.19 1pkx h PRO 224 CO 0.62 0.00 -0.15 0.21 -0.21 0.00 0.00 178.00 178.46 1pkx s LYS 225 N -5.04 0.67 0.58 1.05 2.20 -1.26 -4.17 119.74 113.76 1pkx s LYS 225 Ca -0.05 0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.65 1pkx s LYS 225 Cb 0.17 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1pkx s LYS 225 CO 0.67 -0.15 1.20 -0.51 -0.36 0.00 0.00 175.35 176.20 1pkx s LEU 226 N -0.55 3.70 0.00 5.43 1.43 -0.48 -4.91 118.68 123.29 1pkx s LEU 226 Ca -0.07 2.38 0.30 0.00 -1.03 0.00 0.00 54.13 55.71 1pkx s LEU 226 Cb -0.03 -4.57 1.52 0.00 0.03 0.00 0.00 46.19 43.14 1pkx s LEU 226 CO 0.03 -1.52 2.02 -0.81 0.23 0.00 0.00 176.35 176.30 1pkx n PRO 227 N -1.49 0.98 -4.01 1.29 -0.04 -1.26 -4.78 135.00 125.71 1pkx n PRO 227 Ca 0.13 -0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 1pkx n PRO 227 Cb 0.49 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1pkx n PRO 227 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pkx s ILE 228 N -2.19 4.87 -0.17 0.52 1.01 -1.26 -1.10 121.20 122.89 1pkx s ILE 228 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1pkx s ILE 228 Cb 0.21 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1pkx s ILE 228 CO 0.40 0.49 -0.16 -0.89 0.00 0.00 0.00 174.94 174.78 1pkx s THR 229 N 0.09 2.50 -0.30 2.92 2.01 -0.41 -4.96 115.64 117.48 1pkx s THR 229 Ca 0.06 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1pkx s THR 229 Cb -0.12 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1pkx s THR 229 CO 0.00 0.52 1.07 -0.69 -0.69 0.00 0.00 174.62 174.83 1pkx s VAL 230 N 1.01 4.55 -0.13 3.82 1.01 -1.26 -1.43 120.40 127.97 1pkx s VAL 230 Ca -0.02 1.80 0.20 0.00 0.00 0.00 0.00 61.98 63.96 1pkx s VAL 230 Cb -0.15 -4.39 -0.20 0.00 0.00 0.00 0.00 36.38 31.64 1pkx s VAL 230 CO -0.04 -0.41 0.61 0.18 0.00 0.00 0.00 175.10 175.44 1pkx n LEU 231 N 6.74 0.42 -3.55 3.92 4.77 0.01 -4.99 117.00 124.32 1pkx n LEU 231 Ca 0.12 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.11 1pkx n LEU 231 Cb 0.47 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1pkx n LEU 231 CO 0.57 0.11 0.36 0.21 -1.33 0.00 0.00 177.39 177.32 1pkx s ASN 232 N -5.25 -0.56 0.66 -1.43 2.47 -1.15 -4.96 114.94 104.72 1pkx s ASN 232 Ca -0.05 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.75 1pkx s ASN 232 Cb 0.10 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.41 1pkx s ASN 232 CO 0.84 -0.62 0.00 0.61 -3.72 0.00 0.00 177.10 174.21 1pkx n GLY 233 N 0.82 0.52 3.33 1.21 0.00 -1.23 -1.51 105.19 108.32 1pkx n GLY 233 Ca -0.19 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 1pkx n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkx s ALA 234 N -1.66 -1.99 0.56 4.61 0.00 -1.26 -4.93 121.76 117.09 1pkx s ALA 234 Ca 0.00 1.93 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 1pkx s ALA 234 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 1pkx s ALA 234 CO 0.00 -1.12 1.17 -1.25 0.00 0.00 0.00 175.76 174.56 1pkx s PRO 235 N 2.83 3.19 0.53 0.00 0.04 -1.26 -4.93 135.00 135.41 1pkx s PRO 235 Ca 0.08 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1pkx s PRO 235 Cb -0.14 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1pkx s PRO 235 CO -0.19 -1.01 0.49 0.20 0.04 0.00 0.00 177.00 176.53 1pkx s GLY 236 N -1.67 2.20 0.12 0.56 0.00 -1.26 -4.71 107.32 102.56 1pkx s GLY 236 Ca 0.75 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 43.70 1pkx s GLY 236 CO 0.30 -1.85 1.69 -2.75 0.00 0.00 0.00 173.10 170.49 1pkx h PHE 237 N 0.66 -0.26 -0.18 1.90 3.04 -1.80 -1.85 116.94 118.44 1pkx h PHE 237 Ca -0.36 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.49 1pkx h PHE 237 Cb 1.29 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 1pkx h PHE 237 CO 0.79 -0.16 -0.39 0.82 -2.02 0.00 0.00 178.31 177.36 1pkx h ILE 238 N -0.13 1.30 -0.71 1.41 2.04 -1.90 -2.18 117.51 117.35 1pkx h ILE 238 Ca 0.07 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.49 1pkx h ILE 238 Cb 0.23 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1pkx h ILE 238 CO -0.17 0.47 0.40 0.78 0.00 0.00 0.00 178.15 179.62 1pkx h ASN 239 N 0.34 0.58 -0.43 1.72 -0.26 -1.86 -1.11 115.58 114.57 1pkx h ASN 239 Ca 0.03 0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1pkx h ASN 239 Cb 0.84 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 1pkx h ASN 239 CO 0.07 0.37 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.62 1pkx h LEU 240 N 0.71 0.88 -0.74 1.61 3.38 -1.02 0.34 115.31 120.48 1pkx h LEU 240 Ca 0.32 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1pkx h LEU 240 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1pkx h LEU 240 CO -0.20 1.01 0.26 0.00 0.09 0.00 0.00 178.44 179.60 1pkx h ASP 242 N 1.09 -0.12 -0.62 0.00 3.32 -0.91 -3.08 116.42 116.10 1pkx h ASP 242 Ca 0.24 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pkx h ASP 242 Cb 0.27 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1pkx h ASP 242 CO -0.01 0.28 0.40 0.00 -1.72 0.00 0.00 179.24 178.18 1pkx h ALA 243 N 0.28 0.79 -0.16 3.45 0.00 -0.21 0.30 119.26 123.72 1pkx h ALA 243 Ca -0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1pkx h ALA 243 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pkx h ALA 243 CO 0.02 0.18 -0.47 -0.07 0.00 0.00 0.00 179.25 178.91 1pkx h LEU 244 N 0.80 0.45 0.00 0.00 3.38 -1.27 -0.85 115.31 117.82 1pkx h LEU 244 Ca 0.23 -0.21 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1pkx h LEU 244 Cb -0.05 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1pkx h LEU 244 CO -0.07 0.85 -1.02 0.78 0.09 0.00 0.00 178.44 179.07 1pkx h ASN 245 N 0.33 0.89 -0.47 -0.43 2.35 -1.43 -3.10 115.58 113.72 1pkx h ASN 245 Ca 0.02 -0.74 -0.07 0.00 -0.55 0.00 0.00 56.30 54.96 1pkx h ASN 245 Cb 0.96 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1pkx h ASN 245 CO 0.08 1.52 0.05 0.00 -1.65 0.00 0.00 177.43 177.43 1pkx h ALA 246 N 0.39 1.08 -0.13 -0.83 0.00 -0.89 -2.22 119.26 116.65 1pkx h ALA 246 Ca -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1pkx h ALA 246 Cb 1.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1pkx h ALA 246 CO 0.20 0.59 0.05 2.35 0.00 0.00 0.00 179.25 182.44 1pkx h TRP 247 N 0.82 0.09 -0.71 0.00 2.91 -1.21 -1.96 115.95 115.89 1pkx h TRP 247 Ca 0.16 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.17 1pkx h TRP 247 Cb 0.42 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 1pkx h TRP 247 CO 0.02 0.05 0.37 1.96 -1.03 0.00 0.00 178.44 179.81 1pkx h GLN 248 N 0.12 0.99 0.58 2.65 4.20 -1.45 -0.48 115.11 121.71 1pkx h GLN 248 Ca 0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1pkx h GLN 248 Cb 0.02 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.62 1pkx h GLN 248 CO -0.05 0.74 -0.28 1.25 -0.67 0.00 0.00 178.83 179.82 1pkx h LEU 249 N 0.99 -0.66 -1.05 1.46 6.46 -1.02 -1.25 115.31 120.24 1pkx h LEU 249 Ca 0.25 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.93 1pkx h LEU 249 Cb 0.05 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1pkx h LEU 249 CO -0.04 -0.46 -0.29 -0.37 -0.62 0.00 0.00 178.44 176.66 1pkx h VAL 250 N -0.80 1.27 -0.41 1.05 -1.51 -1.19 -0.61 116.25 114.04 1pkx h VAL 250 Ca -0.08 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.10 1pkx h VAL 250 Cb 0.61 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1pkx h VAL 250 CO 0.13 0.39 0.19 0.50 -1.23 0.00 0.00 177.57 177.55 1pkx h LYS 251 N 0.28 0.60 -0.39 5.19 3.64 -1.00 0.92 116.57 125.81 1pkx h LYS 251 Ca 0.04 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1pkx h LYS 251 Cb 0.67 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1pkx h LYS 251 CO 0.05 0.54 -0.22 0.93 -2.27 0.00 0.00 179.45 178.48 1pkx h GLU 252 N 0.52 0.77 -0.34 1.90 5.08 -0.86 -0.56 114.58 121.09 1pkx h GLU 252 Ca 0.14 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1pkx h GLU 252 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pkx h GLU 252 CO -0.02 0.92 0.11 -0.07 -1.00 0.00 0.00 179.01 178.96 1pkx h LEU 253 N 0.67 0.49 -0.32 1.33 3.38 -0.75 -0.60 115.31 119.52 1pkx h LEU 253 Ca 0.09 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1pkx h LEU 253 Cb 0.73 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1pkx h LEU 253 CO 0.06 0.55 0.16 0.50 0.09 0.00 0.00 178.44 179.80 1pkx h LYS 254 N 0.40 0.33 -0.60 1.13 1.63 -0.60 -1.30 116.57 117.56 1pkx h LYS 254 Ca 0.11 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1pkx h LYS 254 Cb 0.23 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1pkx h LYS 254 CO -0.00 0.22 0.10 0.93 -3.45 0.00 0.00 179.45 177.24 1pkx h GLU 255 N 0.34 0.96 -0.04 1.90 5.08 -0.96 0.23 114.58 122.09 1pkx h GLU 255 Ca 0.13 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1pkx h GLU 255 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1pkx h GLU 255 CO -0.08 0.89 -0.78 0.00 -1.00 0.00 0.00 179.01 178.04 1pkx h ALA 256 N 1.19 0.59 -0.00 3.43 0.00 -0.77 -3.38 119.26 120.33 1pkx h ALA 256 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pkx h ALA 256 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pkx h ALA 256 CO 0.01 0.82 -0.17 1.28 0.00 0.00 0.00 179.25 181.19 1pkx n LEU 257 N -3.77 0.32 0.00 0.00 4.77 -0.52 -4.98 117.00 112.82 1pkx n LEU 257 Ca -0.04 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1pkx n LEU 257 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1pkx n LEU 257 CO 0.47 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1pkx n GLY 258 N 1.00 0.22 3.51 -0.72 0.00 0.82 -4.99 105.19 105.03 1pkx n GLY 258 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1pkx n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 259 N -1.46 3.36 0.25 -0.61 1.01 -1.26 -5.06 121.20 117.44 1pkx s ILE 259 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1pkx s ILE 259 Cb 0.00 -2.36 -0.15 0.00 0.01 0.00 0.00 42.46 39.96 1pkx s ILE 259 CO 0.00 0.58 0.99 -2.65 0.00 0.00 0.00 174.94 173.87 1pkx n PRO 260 N 2.49 1.16 -4.33 2.79 -0.02 -1.26 -4.41 135.00 131.41 1pkx n PRO 260 Ca -0.18 0.41 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 1pkx n PRO 260 Cb 0.53 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1pkx n PRO 260 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkx s ALA 261 N -0.83 1.97 0.02 3.55 0.00 -1.26 -0.44 121.76 124.77 1pkx s ALA 261 Ca 0.63 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1pkx s ALA 261 Cb -0.76 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1pkx s ALA 261 CO 0.58 0.13 0.23 0.00 0.00 0.00 0.00 175.76 176.69 1pkx s ALA 262 N -2.59 -0.51 0.01 0.00 0.00 -0.07 -1.27 121.76 117.33 1pkx s ALA 262 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1pkx s ALA 262 Cb -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1pkx s ALA 262 CO 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 175.76 175.52 1pkx s ALA 263 N -1.96 0.04 -0.22 0.00 0.00 -0.36 -1.02 121.76 118.24 1pkx s ALA 263 Ca -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1pkx s ALA 263 Cb -0.04 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1pkx s ALA 263 CO -0.00 -0.13 -0.12 0.45 0.00 0.00 0.00 175.76 175.95 1pkx s SER 264 N -1.14 3.83 0.03 0.00 0.15 -0.02 -1.44 113.70 115.11 1pkx s SER 264 Ca -0.12 -1.08 0.02 0.00 0.70 0.00 0.00 55.95 55.46 1pkx s SER 264 Cb -0.08 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.79 1pkx s SER 264 CO -0.01 -0.14 0.02 -0.36 1.20 0.00 0.00 173.24 173.95 1pkx s PHE 265 N 1.25 3.10 -0.18 3.44 0.40 -0.30 0.80 117.98 126.48 1pkx s PHE 265 Ca -0.04 0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1pkx s PHE 265 Cb -0.17 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.79 1pkx s PHE 265 CO -0.08 0.49 0.41 0.21 0.70 0.00 0.00 175.22 176.95 1pkx s LYS 266 N -1.89 0.37 -1.45 0.44 2.36 -0.66 -0.65 119.74 118.26 1pkx s LYS 266 Ca 0.23 0.87 -0.04 0.00 -2.55 0.00 0.00 55.97 54.48 1pkx s LYS 266 Cb -0.12 0.08 0.03 0.00 -1.05 0.00 0.00 37.83 36.77 1pkx s LYS 266 CO 0.14 -0.19 0.53 0.72 1.55 0.00 0.00 175.35 178.11 1pkx n HIS 267 N 4.63 -1.73 -2.44 4.03 8.25 -1.26 -2.71 115.22 124.00 1pkx n HIS 267 Ca -0.18 0.77 -0.21 0.00 -0.26 0.00 0.00 57.72 57.84 1pkx n HIS 267 Cb 0.53 -3.71 -0.01 0.00 1.12 0.00 0.00 29.99 27.92 1pkx n HIS 267 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pkx n VAL 268 N -4.41 -1.04 -3.87 1.59 0.31 -1.26 -4.96 118.33 104.69 1pkx n VAL 268 Ca -0.23 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1pkx n VAL 268 Cb 0.65 -2.97 -0.10 0.00 -0.91 0.00 0.00 33.84 30.51 1pkx n VAL 268 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1pkx s SER 269 N -2.09 0.03 0.24 4.52 0.01 -1.10 -4.18 113.70 111.13 1pkx s SER 269 Ca 0.02 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.75 1pkx s SER 269 Cb -0.01 0.21 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 1pkx s SER 269 CO 0.02 -0.39 1.04 -2.16 0.41 0.00 0.00 173.24 172.16 1pkx s PRO 270 N -1.53 4.70 -0.03 12.44 0.04 -1.26 -1.66 135.00 147.71 1pkx s PRO 270 Ca -0.14 1.67 0.11 0.00 0.04 0.00 0.00 61.00 62.68 1pkx s PRO 270 Cb -0.07 -3.25 -0.23 0.00 0.04 0.00 0.00 34.50 30.99 1pkx s PRO 270 CO 0.01 0.28 0.71 0.00 0.04 0.00 0.00 177.00 178.04 1pkx h ALA 271 N 4.29 0.71 -2.87 8.56 0.00 0.07 -3.47 119.26 126.55 1pkx h ALA 271 Ca -0.45 -1.40 0.01 0.00 0.00 0.00 0.00 54.91 53.06 1pkx h ALA 271 Cb 1.21 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 1pkx h ALA 271 CO 0.69 1.53 0.26 0.20 0.00 0.00 0.00 179.25 181.93 1pkx s GLY 272 N -5.09 -0.54 -0.20 0.00 0.00 -0.99 -4.36 107.32 96.14 1pkx s GLY 272 Ca -0.05 0.50 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 1pkx s GLY 272 CO 0.82 0.16 0.90 0.00 0.00 0.00 0.00 173.10 174.99 1pkx s ALA 273 N -3.65 -1.89 0.05 3.20 0.00 -1.26 -0.84 121.76 117.37 1pkx s ALA 273 Ca 0.03 1.71 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 1pkx s ALA 273 Cb -0.01 -0.90 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1pkx s ALA 273 CO -0.10 -0.30 1.00 0.00 0.00 0.00 0.00 175.76 176.35 1pkx s ALA 274 N -0.41 -1.82 0.21 0.00 0.00 -0.18 -1.34 121.76 118.21 1pkx s ALA 274 Ca -0.02 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1pkx s ALA 274 Cb -0.03 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1pkx s ALA 274 CO 0.00 -0.89 0.27 0.14 0.00 0.00 0.00 175.76 175.29 1pkx s VAL 275 N -3.05 4.98 -1.14 0.00 -7.23 -0.38 -0.90 120.40 112.68 1pkx s VAL 275 Ca 0.10 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 59.14 1pkx s VAL 275 Cb -0.00 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 1pkx s VAL 275 CO -0.03 -0.25 2.33 0.61 -0.31 0.00 0.00 175.10 177.45 1pkx n GLY 276 N -1.00 3.48 3.71 2.32 0.00 0.42 -4.56 105.19 109.56 1pkx n GLY 276 Ca -0.08 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1pkx n GLY 276 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 277 N 3.28 4.56 0.24 -0.61 -1.09 -1.26 -4.72 121.20 121.61 1pkx s ILE 277 Ca 0.51 1.84 -0.30 0.00 -2.23 0.00 0.00 60.65 60.48 1pkx s ILE 277 Cb 0.13 -4.18 -0.15 0.00 -1.58 0.00 0.00 42.46 36.68 1pkx s ILE 277 CO -0.02 0.12 1.02 -2.65 -1.23 0.00 0.00 174.94 172.17 1pkx n PRO 278 N 4.13 1.17 -3.10 2.79 -0.02 -1.26 -4.86 135.00 133.85 1pkx n PRO 278 Ca 0.08 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.58 1pkx n PRO 278 Cb 0.49 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1pkx n PRO 278 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pkx s LEU 279 N 0.75 4.53 0.85 2.45 1.02 -1.26 -5.07 118.68 121.94 1pkx s LEU 279 Ca 0.64 1.48 -0.12 0.00 0.02 0.00 0.00 54.13 56.15 1pkx s LEU 279 Cb -0.77 -3.23 0.10 0.00 0.02 0.00 0.00 46.19 42.31 1pkx s LEU 279 CO 0.57 0.20 1.17 -0.94 0.02 0.00 0.00 176.35 177.37 1pkx s SER 280 N -1.24 4.12 0.18 2.29 1.04 -1.26 -4.83 113.70 114.00 1pkx s SER 280 Ca 0.35 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.47 1pkx s SER 280 Cb -0.21 -1.32 0.15 0.00 0.10 0.00 0.00 66.02 64.75 1pkx s SER 280 CO 0.23 -2.15 1.77 -0.33 0.98 0.00 0.00 173.24 173.74 1pkx h GLU 281 N -1.23 0.43 -0.53 4.02 5.08 -2.00 -1.85 114.58 118.51 1pkx h GLU 281 Ca -0.47 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 1pkx h GLU 281 Cb 1.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1pkx h GLU 281 CO 0.64 0.28 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.43 1pkx h ASP 282 N 0.44 0.93 -0.83 1.42 3.32 -2.00 -2.20 116.42 117.50 1pkx h ASP 282 Ca 0.23 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1pkx h ASP 282 Cb 0.19 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1pkx h ASP 282 CO -0.19 1.02 0.49 -0.33 -1.72 0.00 0.00 179.24 178.51 1pkx h GLU 283 N 0.85 1.14 -0.29 3.56 5.08 -1.81 -0.75 114.58 122.37 1pkx h GLU 283 Ca 0.15 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1pkx h GLU 283 Cb 0.59 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1pkx h GLU 283 CO 0.04 0.81 -0.10 0.00 -1.00 0.00 0.00 179.01 178.76 1pkx h ALA 284 N 1.38 1.29 -0.03 3.43 0.00 -1.00 0.44 119.26 124.78 1pkx h ALA 284 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkx h ALA 284 Cb -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pkx h ALA 284 CO -0.05 0.47 0.01 0.87 0.00 0.00 0.00 179.25 180.55 1pkx h LYS 285 N 0.45 0.04 -0.85 0.00 1.57 -0.66 -0.15 116.57 116.96 1pkx h LYS 285 Ca 0.09 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1pkx h LYS 285 Cb 0.45 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1pkx h LYS 285 CO 0.02 0.19 0.52 0.28 -0.57 0.00 0.00 179.45 179.89 1pkx h VAL 286 N -0.12 0.98 0.00 0.50 2.07 -0.59 -0.04 116.25 119.05 1pkx h VAL 286 Ca 0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pkx h VAL 286 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1pkx h VAL 286 CO -0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1pkx n MET 288 N -1.12 -6.54 -0.38 0.00 0.00 -0.03 -4.84 117.12 104.21 1pkx n MET 288 Ca 0.19 0.76 0.04 0.00 0.00 0.00 0.00 57.70 58.69 1pkx n MET 288 Cb 0.16 -5.53 0.05 0.00 0.00 0.00 0.00 33.22 27.90 1pkx n MET 288 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1pkx n VAL 289 N -4.68 0.68 0.19 2.03 0.24 -0.34 -4.82 118.33 111.63 1pkx n VAL 289 Ca -0.02 -0.85 0.05 0.00 -2.04 0.00 0.00 64.34 61.48 1pkx n VAL 289 Cb 0.57 0.25 0.49 0.00 -1.47 0.00 0.00 33.84 33.67 1pkx n VAL 289 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1pkx h TYR 290 N 0.04 0.10 0.00 6.34 3.20 -1.82 -0.25 116.97 124.58 1pkx h TYR 290 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pkx h TYR 290 Cb 1.27 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1pkx h TYR 290 CO 0.08 0.22 0.00 0.38 -1.64 0.00 0.00 178.16 177.19 1pkx h ASP 291 N 0.09 0.00 -0.16 -2.11 2.03 -1.90 -1.08 116.42 113.29 1pkx h ASP 291 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1pkx h ASP 291 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1pkx h ASP 291 CO 0.02 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.41 1pkx n LEU 292 N -2.30 2.49 -0.29 0.15 4.77 -0.15 -4.82 117.00 116.86 1pkx n LEU 292 Ca 0.01 -1.36 -0.03 0.00 -0.03 0.00 0.00 56.01 54.59 1pkx n LEU 292 Cb 0.16 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1pkx n LEU 292 CO 0.16 0.53 0.40 0.00 -1.33 0.00 0.00 177.39 177.16 1pkx n TYR 293 N 0.75 -0.11 0.28 -1.77 9.36 -0.41 -0.82 117.16 124.44 1pkx n TYR 293 Ca 0.10 0.91 0.17 0.00 3.32 0.00 0.00 57.90 62.40 1pkx n TYR 293 Cb 0.38 -0.70 0.83 0.00 -0.63 0.00 0.00 39.34 39.23 1pkx n TYR 293 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pkx h LYS 294 N 0.00 0.00 -0.01 2.98 6.56 -1.87 -2.61 116.57 121.61 1pkx h LYS 294 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1pkx h LYS 294 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1pkx h LYS 294 CO -0.72 0.00 -0.55 0.25 -2.06 0.00 0.00 179.45 176.37 1pkx n THR 295 N -2.68 0.00 -1.45 -0.16 -2.24 0.00 -5.00 114.28 102.75 1pkx n THR 295 Ca -0.01 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 1pkx n THR 295 Cb 0.11 1.19 0.06 0.00 -2.10 0.00 0.00 70.33 69.59 1pkx n THR 295 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pkx n LEU 296 N -0.26 1.89 -4.17 3.22 4.77 -0.99 -4.85 117.00 116.61 1pkx n LEU 296 Ca 0.09 0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 56.66 1pkx n LEU 296 Cb 0.45 -1.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1pkx n LEU 296 CO 0.31 -2.65 -0.21 0.42 -1.33 0.00 0.00 177.39 173.93 1pkx s THR 297 N -1.72 0.01 0.15 -5.08 -4.23 -1.26 -4.99 115.64 98.51 1pkx s THR 297 Ca 0.71 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.02 1pkx s THR 297 Cb -0.40 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 1pkx s THR 297 CO 0.53 -0.06 1.59 -0.65 -0.54 0.00 0.00 174.62 175.49 1pkx h PRO 298 N 2.62 -0.36 -0.58 3.99 0.11 -1.96 0.25 132.00 136.06 1pkx h PRO 298 Ca -0.35 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 1pkx h PRO 298 Cb 1.24 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1pkx h PRO 298 CO 0.52 -0.24 0.07 0.97 -0.21 0.00 0.00 178.00 179.11 1pkx h ILE 299 N -0.37 1.25 -0.06 4.15 6.09 -1.90 -0.20 117.51 126.47 1pkx h ILE 299 Ca 0.12 -1.01 -0.12 0.00 -1.37 0.00 0.00 64.86 62.48 1pkx h ILE 299 Cb 0.58 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 1pkx h ILE 299 CO -0.47 0.37 -0.52 0.77 -3.07 0.00 0.00 178.15 175.23 1pkx h SER 300 N 0.90 0.18 0.25 2.19 4.64 -1.86 -0.96 113.55 118.89 1pkx h SER 300 Ca 0.18 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 1pkx h SER 300 Cb 0.43 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1pkx h SER 300 CO 0.01 0.67 -0.64 0.00 -0.87 0.00 0.00 176.83 176.00 1pkx h ALA 301 N 1.34 0.71 -0.37 5.18 0.00 -0.20 -1.19 119.26 124.73 1pkx h ALA 301 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1pkx h ALA 301 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1pkx h ALA 301 CO 0.08 0.74 0.07 0.00 0.00 0.00 0.00 179.25 180.14 1pkx h ALA 302 N 1.04 0.49 -0.31 0.00 0.00 -0.54 -1.69 119.26 118.25 1pkx h ALA 302 Ca -0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1pkx h ALA 302 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1pkx h ALA 302 CO 0.11 0.18 -0.30 -0.92 0.00 0.00 0.00 179.25 178.32 1pkx h TYR 303 N 0.45 0.75 -1.00 0.00 3.20 -1.05 -1.61 116.97 117.72 1pkx h TYR 303 Ca 0.11 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1pkx h TYR 303 Cb 0.34 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 1pkx h TYR 303 CO 0.02 0.88 0.66 0.00 -1.64 0.00 0.00 178.16 178.08 1pkx h ALA 304 N 1.11 1.30 -0.09 1.82 0.00 -0.94 0.70 119.26 123.17 1pkx h ALA 304 Ca 0.07 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1pkx h ALA 304 Cb 0.79 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pkx h ALA 304 CO 0.06 0.64 -0.67 0.00 0.00 0.00 0.00 179.25 179.28 1pkx h ARG 305 N 1.33 0.37 0.10 0.00 3.08 -1.06 -1.67 114.38 116.52 1pkx h ARG 305 Ca 0.37 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1pkx h ARG 305 Cb -0.12 0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1pkx h ARG 305 CO -0.09 0.91 -0.05 0.00 -1.07 0.00 0.00 179.97 179.67 1pkx h ALA 306 N 1.02 -0.13 0.00 0.04 0.00 -0.35 -2.91 119.26 116.93 1pkx h ALA 306 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1pkx h ALA 306 Cb 1.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1pkx h ALA 306 CO 0.11 -0.46 -0.34 -0.09 0.00 0.00 0.00 179.25 178.47 1pkx h ARG 307 N -0.36 0.00 0.00 0.00 2.43 -0.96 -3.19 114.38 112.30 1pkx h ARG 307 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1pkx h ARG 307 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1pkx h ARG 307 CO 0.02 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.24 1pkx n GLY 308 N 0.32 -1.48 0.14 2.80 0.00 -0.63 -3.96 105.19 102.38 1pkx n GLY 308 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1pkx n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkx h ALA 309 N 2.95 -0.13 -2.06 4.61 0.00 -1.50 -3.40 119.26 119.74 1pkx h ALA 309 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1pkx h ALA 309 Cb 0.49 0.16 -0.32 0.00 0.00 0.00 0.00 17.79 18.12 1pkx h ALA 309 CO 0.00 -0.60 -0.63 0.34 0.00 0.00 0.00 179.25 178.36 1pkx s ASP 310 N -5.05 1.44 0.46 0.00 -1.08 -1.25 -4.75 116.67 106.44 1pkx s ASP 310 Ca -0.14 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.21 1pkx s ASP 310 Cb 0.07 0.60 1.06 0.00 -1.46 0.00 0.00 42.92 43.19 1pkx s ASP 310 CO 0.66 -0.37 2.04 0.03 0.52 0.00 0.00 175.17 178.05 1pkx h ARG 311 N 8.09 0.04 -0.21 4.34 3.08 -1.78 -1.57 114.38 126.37 1pkx h ARG 311 Ca -0.10 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 1pkx h ARG 311 Cb 1.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1pkx h ARG 311 CO 0.31 0.15 -0.61 0.52 -1.07 0.00 0.00 179.97 179.27 1pkx h MET 312 N 0.04 0.70 0.00 0.04 2.86 -1.95 -2.85 114.93 113.77 1pkx h MET 312 Ca 0.01 -0.48 -0.12 0.00 -2.06 0.00 0.00 59.70 57.04 1pkx h MET 312 Cb 0.22 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1pkx h MET 312 CO 0.01 1.10 -0.59 0.77 1.06 0.00 0.00 176.91 179.27 1pkx h SER 313 N 0.52 0.00 0.61 1.22 0.02 -1.84 -3.11 113.55 110.97 1pkx h SER 313 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pkx h SER 313 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1pkx h SER 313 CO 0.12 0.59 -0.01 -1.20 -1.14 0.00 0.00 176.83 175.19 1pkx n SER 314 N -3.58 0.02 -4.63 3.07 7.64 -0.64 -4.71 113.62 110.80 1pkx n SER 314 Ca -0.00 -0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.37 1pkx n SER 314 Cb 0.64 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1pkx n SER 314 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1pkx s PHE 315 N -2.62 1.40 -0.22 1.43 2.19 -1.09 -0.97 117.98 118.10 1pkx s PHE 315 Ca 0.27 0.16 0.00 0.00 0.33 0.00 0.00 56.93 57.69 1pkx s PHE 315 Cb 0.20 -4.06 0.00 0.00 -1.31 0.00 0.00 43.02 37.85 1pkx s PHE 315 CO 0.47 -4.41 0.00 0.41 1.83 0.00 0.00 175.22 173.52 1pkx n GLY 316 N 5.07 0.38 3.69 13.12 0.00 0.35 -4.98 105.19 122.82 1pkx n GLY 316 Ca 0.24 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1pkx n GLY 316 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkx s ASP 317 N -2.92 3.11 -0.21 1.61 -4.77 -0.15 -3.39 116.67 109.95 1pkx s ASP 317 Ca 0.00 1.44 -0.03 0.00 -3.30 0.00 0.00 52.55 50.67 1pkx s ASP 317 Cb 0.00 -2.12 -0.01 0.00 -1.09 0.00 0.00 42.92 39.71 1pkx s ASP 317 CO 0.00 -2.86 -0.07 0.12 0.70 0.00 0.00 175.17 173.06 1pkx s PHE 318 N -2.90 2.92 0.07 2.11 2.19 0.18 0.01 117.98 122.56 1pkx s PHE 318 Ca 0.64 -1.00 -0.20 0.00 0.33 0.00 0.00 56.93 56.70 1pkx s PHE 318 Cb -0.19 -2.06 -0.07 0.00 -1.31 0.00 0.00 43.02 39.40 1pkx s PHE 318 CO 0.58 -0.55 0.58 0.08 1.83 0.00 0.00 175.22 177.74 1pkx s VAL 319 N 1.35 4.73 -0.02 3.12 1.01 0.06 -1.15 120.40 129.50 1pkx s VAL 319 Ca 0.04 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.30 1pkx s VAL 319 Cb -0.14 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1pkx s VAL 319 CO -0.04 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 1pkx s ALA 320 N -1.04 1.02 -0.02 5.51 0.00 -0.52 -0.65 121.76 126.06 1pkx s ALA 320 Ca 0.29 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1pkx s ALA 320 Cb -0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1pkx s ALA 320 CO 0.19 0.22 -0.19 -0.51 0.00 0.00 0.00 175.76 175.47 1pkx s LEU 321 N -0.10 2.02 0.29 0.00 1.43 -0.79 -1.23 118.68 120.31 1pkx s LEU 321 Ca 0.01 -0.34 0.25 0.00 -1.03 0.00 0.00 54.13 53.02 1pkx s LEU 321 Cb -0.07 -0.97 0.57 0.00 0.03 0.00 0.00 46.19 45.75 1pkx s LEU 321 CO 0.00 0.22 1.65 0.77 0.23 0.00 0.00 176.35 179.23 1pkx h SER 322 N 5.75 0.00 -2.92 2.29 4.64 -1.48 -3.37 113.55 118.46 1pkx h SER 322 Ca -0.37 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.43 1pkx h SER 322 Cb 1.15 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 1pkx h SER 322 CO 0.48 0.01 -0.61 -1.81 -0.87 0.00 0.00 176.83 174.03 1pkx s ASP 323 N -5.18 2.69 0.18 4.97 1.11 -1.26 -4.72 116.67 114.46 1pkx s ASP 323 Ca 0.09 -1.36 -0.33 0.00 0.18 0.00 0.00 52.55 51.12 1pkx s ASP 323 Cb 0.10 -0.15 -0.14 0.00 1.07 0.00 0.00 42.92 43.79 1pkx s ASP 323 CO 0.64 -0.56 1.43 0.52 1.18 0.00 0.00 175.17 178.39 1pkx n VAL 324 N -0.73 0.48 -2.31 -1.27 0.31 -1.26 -4.47 118.33 109.07 1pkx n VAL 324 Ca -0.03 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 1pkx n VAL 324 Cb 0.66 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 1pkx n VAL 324 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkx s ASP 326 N 1.85 4.92 0.16 0.00 1.47 -1.26 -1.86 116.67 121.94 1pkx s ASP 326 Ca 0.61 -0.83 -0.15 0.00 1.18 0.00 0.00 52.55 53.36 1pkx s ASP 326 Cb -0.28 0.36 0.04 0.00 -0.34 0.00 0.00 42.92 42.70 1pkx s ASP 326 CO 0.24 -1.49 1.76 0.58 0.68 0.00 0.00 175.17 176.94 1pkx h VAL 327 N 0.02 1.17 -0.72 2.11 2.07 -1.94 -2.06 116.25 116.90 1pkx h VAL 327 Ca -0.30 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1pkx h VAL 327 Cb 1.29 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1pkx h VAL 327 CO 0.40 0.18 0.45 -0.65 0.02 0.00 0.00 177.57 177.97 1pkx h PRO 328 N 0.64 0.84 -0.54 1.57 0.11 -1.96 -0.11 132.00 132.56 1pkx h PRO 328 Ca 0.17 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1pkx h PRO 328 Cb 0.06 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1pkx h PRO 328 CO -0.03 0.56 0.13 1.15 -0.21 0.00 0.00 178.00 179.60 1pkx h THR 329 N 0.87 1.24 -0.82 -1.15 2.02 -1.87 -1.75 112.91 111.44 1pkx h THR 329 Ca 0.29 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1pkx h THR 329 Cb 0.04 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1pkx h THR 329 CO -0.12 0.32 0.41 0.00 0.37 0.00 0.00 175.52 176.50 1pkx h ALA 330 N 1.01 1.17 -0.33 6.16 0.00 -0.87 -1.79 119.26 124.60 1pkx h ALA 330 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1pkx h ALA 330 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pkx h ALA 330 CO 0.00 0.64 -0.25 0.87 0.00 0.00 0.00 179.25 180.51 1pkx h LYS 331 N 1.17 0.65 -0.21 0.00 1.57 -0.79 0.69 116.57 119.65 1pkx h LYS 331 Ca 0.29 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1pkx h LYS 331 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pkx h LYS 331 CO -0.04 0.85 0.10 0.82 -0.57 0.00 0.00 179.45 180.61 1pkx h ILE 332 N 0.57 1.14 -0.24 1.86 2.04 -0.89 -3.00 117.51 118.98 1pkx h ILE 332 Ca 0.08 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 1pkx h ILE 332 Cb 0.73 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1pkx h ILE 332 CO 0.06 0.13 -0.36 0.40 0.00 0.00 0.00 178.15 178.38 1pkx h ILE 333 N 0.21 1.29 -0.97 -0.67 2.04 -1.15 -3.23 117.51 115.02 1pkx h ILE 333 Ca 0.07 -1.49 0.11 0.00 1.00 0.00 0.00 64.86 64.55 1pkx h ILE 333 Cb 0.12 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 1pkx h ILE 333 CO -0.01 0.47 0.62 -1.28 0.00 0.00 0.00 178.15 177.95 1pkx h SER 334 N 0.44 0.89 -0.51 1.72 0.87 -0.72 -2.30 113.55 113.94 1pkx h SER 334 Ca 0.05 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1pkx h SER 334 Cb 0.84 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1pkx h SER 334 CO 0.07 0.49 0.00 -2.11 -0.53 0.00 0.00 176.83 174.75 1pkx n ARG 335 N -4.58 3.25 -4.53 2.24 1.85 -1.20 -4.92 116.66 108.76 1pkx n ARG 335 Ca 0.18 -2.28 -0.25 0.00 -1.00 0.00 0.00 57.85 54.50 1pkx n ARG 335 Cb 0.34 -1.80 -0.11 0.00 -1.05 0.00 0.00 32.46 29.85 1pkx n ARG 335 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1pkx s GLU 336 N -1.84 1.79 -0.29 2.89 0.41 -0.87 -4.98 118.70 115.81 1pkx s GLU 336 Ca 0.41 -1.95 -0.21 0.00 -0.41 0.00 0.00 54.97 52.81 1pkx s GLU 336 Cb 0.27 -1.51 -0.01 0.00 -1.78 0.00 0.00 34.13 31.10 1pkx s GLU 336 CO 0.19 0.04 0.66 0.08 -0.49 0.00 0.00 175.26 175.74 1pkx s VAL 337 N -2.78 4.93 0.03 2.63 1.01 -1.26 -4.99 120.40 119.96 1pkx s VAL 337 Ca 0.33 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1pkx s VAL 337 Cb 0.05 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1pkx s VAL 337 CO 0.16 -0.11 -0.05 -0.55 0.00 0.00 0.00 175.10 174.55 1pkx s SER 338 N 1.58 0.47 0.15 3.32 0.15 -1.26 -0.49 113.70 117.62 1pkx s SER 338 Ca 0.27 -0.48 0.18 0.00 0.70 0.00 0.00 55.95 56.61 1pkx s SER 338 Cb -0.15 0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1pkx s SER 338 CO 0.11 -0.24 1.04 0.44 1.20 0.00 0.00 173.24 175.79 1pkx h ASP 339 N 4.70 0.00 0.00 5.45 3.45 -0.42 -3.46 116.42 126.14 1pkx h ASP 339 Ca -0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 1pkx h ASP 339 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 1pkx h ASP 339 CO 0.42 0.43 0.00 0.61 -1.57 0.00 0.00 179.24 179.13 1pkx n GLY 340 N 1.30 -0.54 3.17 2.75 0.00 -1.22 -4.17 105.19 106.49 1pkx n GLY 340 Ca -0.05 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1pkx n GLY 340 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pkx s ILE 341 N -2.00 0.08 -0.02 -0.61 2.07 -0.62 -0.76 121.20 119.34 1pkx s ILE 341 Ca 0.00 -0.66 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 1pkx s ILE 341 Cb 0.00 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1pkx s ILE 341 CO 0.00 -0.36 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.09 1pkx s ILE 342 N -1.63 0.55 0.22 2.00 2.07 0.17 -0.49 121.20 124.09 1pkx s ILE 342 Ca -0.12 -0.24 -0.22 0.00 -1.41 0.00 0.00 60.65 58.65 1pkx s ILE 342 Cb -0.05 -0.50 0.04 0.00 0.13 0.00 0.00 42.46 42.08 1pkx s ILE 342 CO 0.01 0.18 0.71 0.00 -1.91 0.00 0.00 174.94 173.93 1pkx s ALA 343 N 0.18 -1.40 -0.33 1.50 0.00 -0.84 -1.88 121.76 118.98 1pkx s ALA 343 Ca -0.02 0.04 0.27 0.00 0.00 0.00 0.00 51.96 52.25 1pkx s ALA 343 Cb -0.07 0.83 0.99 0.00 0.00 0.00 0.00 23.12 24.87 1pkx s ALA 343 CO -0.00 -0.94 1.80 -1.00 0.00 0.00 0.00 175.76 175.62 1pkx h PRO 344 N 2.00 0.00 -1.54 0.00 0.13 -1.73 0.14 132.00 131.00 1pkx h PRO 344 Ca -0.24 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.21 1pkx h PRO 344 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 1pkx h PRO 344 CO 0.28 0.00 0.82 0.20 -0.23 0.00 0.00 178.00 179.08 1pkx s GLY 345 N -3.85 -0.38 -0.03 1.56 0.00 -1.26 -4.58 107.32 98.79 1pkx s GLY 345 Ca 0.05 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.36 1pkx s GLY 345 CO 0.52 0.63 0.06 -0.19 0.00 0.00 0.00 173.10 174.12 1pkx s TYR 346 N -2.41 -0.04 0.43 1.90 1.51 -1.26 -1.51 117.35 115.96 1pkx s TYR 346 Ca 0.16 0.20 -0.25 0.00 -1.01 0.00 0.00 57.07 56.16 1pkx s TYR 346 Cb 0.04 -0.11 -0.08 0.00 -0.11 0.00 0.00 41.96 41.70 1pkx s TYR 346 CO -0.03 -0.08 1.27 -2.00 -1.11 0.00 0.00 175.55 173.60 1pkx s GLU 347 N 0.71 3.87 0.21 -0.62 2.12 -0.78 -4.81 118.70 119.40 1pkx s GLU 347 Ca -0.06 2.07 -0.12 0.00 0.36 0.00 0.00 54.97 57.23 1pkx s GLU 347 Cb -0.08 -2.65 0.27 0.00 0.26 0.00 0.00 34.13 31.93 1pkx s GLU 347 CO -0.03 -0.55 1.66 0.93 -0.54 0.00 0.00 175.26 176.74 1pkx h GLU 348 N 2.47 0.10 -0.45 4.30 5.08 -2.00 0.25 114.58 124.34 1pkx h GLU 348 Ca -0.50 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 1pkx h GLU 348 Cb 1.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1pkx h GLU 348 CO 0.62 0.06 -0.05 1.49 -1.00 0.00 0.00 179.01 180.13 1pkx h GLU 349 N 0.10 0.76 -0.76 2.33 4.81 -1.96 -2.08 114.58 117.78 1pkx h GLU 349 Ca 0.31 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1pkx h GLU 349 Cb 0.49 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1pkx h GLU 349 CO -0.52 0.80 0.39 0.00 -0.73 0.00 0.00 179.01 178.95 1pkx h ALA 350 N 1.24 1.26 -0.38 2.92 0.00 -1.44 -2.13 119.26 120.72 1pkx h ALA 350 Ca 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1pkx h ALA 350 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pkx h ALA 350 CO 0.03 0.59 -0.03 1.25 0.00 0.00 0.00 179.25 181.09 1pkx h LEU 351 N 1.06 0.69 -0.94 0.00 5.85 -0.38 -2.16 115.31 119.43 1pkx h LEU 351 Ca 0.26 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1pkx h LEU 351 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1pkx h LEU 351 CO -0.04 0.85 -0.45 0.74 -0.34 0.00 0.00 178.44 179.20 1pkx h THR 352 N 0.51 1.10 0.27 1.05 2.02 -1.25 -1.17 112.91 115.44 1pkx h THR 352 Ca 0.11 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 1pkx h THR 352 Cb 0.51 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1pkx h THR 352 CO 0.02 0.44 -0.13 0.40 0.37 0.00 0.00 175.52 176.63 1pkx h ILE 353 N 0.00 0.73 -0.80 3.11 2.04 -1.31 -3.25 117.51 118.04 1pkx h ILE 353 Ca -0.00 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1pkx h ILE 353 Cb 0.92 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1pkx h ILE 353 CO 0.06 0.14 0.53 -0.07 0.00 0.00 0.00 178.15 178.81 1pkx h LEU 354 N -0.78 0.91 -0.00 1.44 3.38 -1.30 -2.65 115.31 116.31 1pkx h LEU 354 Ca -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pkx h LEU 354 Cb 0.51 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1pkx h LEU 354 CO 0.06 0.65 0.00 -1.20 0.09 0.00 0.00 178.44 178.05 1pkx n SER 355 N -4.42 0.00 0.05 -0.43 7.64 -0.45 -2.18 113.62 113.83 1pkx n SER 355 Ca 0.09 0.50 -0.05 0.00 1.01 0.00 0.00 58.87 60.42 1pkx n SER 355 Cb 0.03 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.64 1pkx n SER 355 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pkx h LYS 356 N 0.00 0.00 -6.76 1.43 6.56 -1.50 -3.33 116.57 112.96 1pkx h LYS 356 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 1pkx h LYS 356 Cb 0.23 0.00 0.16 0.00 -0.57 0.00 0.00 32.23 32.06 1pkx h LYS 356 CO 0.00 0.68 0.01 1.63 -2.06 0.00 0.00 179.45 179.72 1pkx n LYS 357 N -3.19 0.81 -3.72 3.15 5.02 -0.93 -1.95 118.16 117.35 1pkx n LYS 357 Ca -0.05 0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 56.34 1pkx n LYS 357 Cb 0.91 -2.07 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1pkx n LYS 357 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pkx n LYS 358 N -0.81 -4.90 -3.35 1.97 5.02 -1.26 -1.80 118.16 113.03 1pkx n LYS 358 Ca 0.13 0.61 -0.24 0.00 -2.02 0.00 0.00 58.31 56.80 1pkx n LYS 358 Cb 0.47 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1pkx n LYS 358 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pkx n ASN 359 N -3.04 -4.22 0.00 4.39 4.05 -1.17 -1.29 115.26 113.98 1pkx n ASN 359 Ca -0.28 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.35 1pkx n ASN 359 Cb 0.67 -3.46 0.00 0.00 1.23 0.00 0.00 39.78 38.21 1pkx n ASN 359 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pkx n GLY 360 N -1.27 0.73 0.69 8.20 0.00 -0.74 -4.96 105.19 107.84 1pkx n GLY 360 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1pkx n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pkx n ASN 361 N 0.00 2.52 -4.68 1.61 3.02 -0.41 -4.50 115.26 112.83 1pkx n ASN 361 Ca 0.00 -1.73 -0.46 0.00 -0.03 0.00 0.00 54.58 52.36 1pkx n ASN 361 Cb 0.00 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 1pkx n ASN 361 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkx n TYR 362 N 0.92 2.33 -2.15 3.10 9.36 -1.01 -4.24 117.16 125.46 1pkx n TYR 362 Ca 0.11 0.15 -0.43 0.00 3.32 0.00 0.00 57.90 61.05 1pkx n TYR 362 Cb 0.42 -2.60 -0.02 0.00 -0.63 0.00 0.00 39.34 36.51 1pkx n TYR 362 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pkx s VAL 364 N 5.27 1.96 -0.05 0.00 1.01 -0.57 -1.59 120.40 126.43 1pkx s VAL 364 Ca 0.70 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1pkx s VAL 364 Cb -0.23 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1pkx s VAL 364 CO 0.29 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.89 1pkx s LEU 365 N 1.31 2.43 -0.20 3.92 1.43 0.35 -0.81 118.68 127.11 1pkx s LEU 365 Ca 0.03 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1pkx s LEU 365 Cb -0.14 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1pkx s LEU 365 CO -0.12 0.30 -0.03 -1.58 0.23 0.00 0.00 176.35 175.16 1pkx s GLN 366 N -0.48 3.49 -0.13 1.70 0.74 -0.52 -2.00 119.66 122.46 1pkx s GLN 366 Ca 0.06 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 1pkx s GLN 366 Cb -0.12 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 1pkx s GLN 366 CO 0.01 -0.07 0.04 1.41 -0.55 0.00 0.00 175.29 176.14 1pkx s MET 367 N 1.17 3.51 -0.42 1.67 -2.45 0.49 -1.29 119.30 121.97 1pkx s MET 367 Ca 0.02 -0.36 -0.28 0.00 -1.25 0.00 0.00 55.69 53.83 1pkx s MET 367 Cb -0.14 -3.02 -0.02 0.00 1.25 0.00 0.00 34.83 32.90 1pkx s MET 367 CO 0.00 0.50 1.79 0.34 1.05 0.00 0.00 175.02 178.69 1pkx s ASP 368 N -0.29 5.74 0.44 1.11 -1.08 -0.26 -4.19 116.67 118.15 1pkx s ASP 368 Ca 0.08 0.99 0.19 0.00 -0.52 0.00 0.00 52.55 53.29 1pkx s ASP 368 Cb -0.12 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 39.96 1pkx s ASP 368 CO 0.02 -1.88 1.89 -0.61 0.52 0.00 0.00 175.17 175.10 1pkx h GLN 369 N 13.33 0.32 0.00 4.34 4.15 -1.91 -2.25 115.11 133.09 1pkx h GLN 369 Ca -0.31 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1pkx h GLN 369 Cb 1.16 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1pkx h GLN 369 CO 1.09 0.21 -0.28 -1.13 -1.93 0.00 0.00 178.83 176.79 1pkx n SER 370 N -4.46 0.51 -4.73 -0.69 3.41 -1.26 -4.90 113.62 101.49 1pkx n SER 370 Ca 0.17 0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 1pkx n SER 370 Cb 0.68 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1pkx n SER 370 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pkx s TYR 371 N -3.07 3.04 -0.02 7.33 5.04 -0.85 -5.02 117.35 123.80 1pkx s TYR 371 Ca 0.10 0.84 0.04 0.00 -2.44 0.00 0.00 57.07 55.61 1pkx s TYR 371 Cb 0.15 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.59 1pkx s TYR 371 CO 0.64 -3.01 -0.13 0.15 -1.34 0.00 0.00 175.55 171.85 1pkx s LYS 372 N 0.37 1.18 0.62 4.97 1.02 -1.26 -5.05 119.74 121.58 1pkx s LYS 372 Ca 0.64 -0.46 -0.15 0.00 0.02 0.00 0.00 55.97 56.02 1pkx s LYS 372 Cb -0.43 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1pkx s LYS 372 CO 0.37 0.24 1.07 -1.25 -0.92 0.00 0.00 175.35 174.86 1pkx s PRO 373 N -0.15 3.17 0.63 -1.68 0.04 -1.26 -5.04 135.00 130.71 1pkx s PRO 373 Ca 0.02 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1pkx s PRO 373 Cb -0.07 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1pkx s PRO 373 CO 0.00 -0.93 1.17 -0.51 0.04 0.00 0.00 177.00 176.77 1pkx s ASP 374 N -2.90 5.08 0.34 6.66 1.01 -1.26 -4.93 116.67 120.68 1pkx s ASP 374 Ca 0.63 2.24 0.12 0.00 0.71 0.00 0.00 52.55 56.25 1pkx s ASP 374 Cb -0.16 -2.58 0.60 0.00 1.01 0.00 0.00 42.92 41.79 1pkx s ASP 374 CO 0.40 -1.66 1.76 -0.33 0.21 0.00 0.00 175.17 175.55 1pkx h GLU 375 N 0.51 0.00 -6.05 8.23 5.08 -1.97 -3.45 114.58 116.93 1pkx h GLU 375 Ca -0.49 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 1pkx h GLU 375 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1pkx h GLU 375 CO 0.54 0.45 -0.20 1.21 -1.00 0.00 0.00 179.01 180.01 1pkx s ASN 376 N -6.90 6.79 0.02 1.42 3.84 -1.26 0.10 114.94 118.94 1pkx s ASN 376 Ca -0.02 0.94 0.02 0.00 0.21 0.00 0.00 52.86 54.01 1pkx s ASN 376 Cb 0.14 -2.24 -0.02 0.00 -0.55 0.00 0.00 41.25 38.58 1pkx s ASN 376 CO 0.74 0.29 -0.07 -1.83 -2.79 0.00 0.00 177.10 173.44 1pkx s GLU 377 N -1.26 0.49 0.04 0.43 -1.05 0.08 -4.88 118.70 112.54 1pkx s GLU 377 Ca 0.26 -0.52 0.06 0.00 -0.15 0.00 0.00 54.97 54.62 1pkx s GLU 377 Cb -0.16 -0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.16 1pkx s GLU 377 CO 0.14 0.08 -0.16 0.08 0.95 0.00 0.00 175.26 176.35 1pkx s VAL 378 N -0.86 1.30 0.05 1.83 1.01 -1.26 -1.11 120.40 121.37 1pkx s VAL 378 Ca -0.05 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1pkx s VAL 378 Cb -0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1pkx s VAL 378 CO 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 175.10 175.12 1pkx s ARG 379 N -1.16 0.56 -0.17 2.72 1.70 -0.49 -4.99 118.95 117.13 1pkx s ARG 379 Ca 0.04 -0.91 -0.06 0.00 -0.47 0.00 0.00 55.73 54.33 1pkx s ARG 379 Cb -0.08 -0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.14 1pkx s ARG 379 CO 0.01 -0.01 0.02 0.99 -1.08 0.00 0.00 175.30 175.24 1pkx s THR 380 N -2.22 4.45 -0.12 4.99 2.01 -1.26 -1.11 115.64 122.37 1pkx s THR 380 Ca -0.04 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1pkx s THR 380 Cb -0.04 -2.98 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1pkx s THR 380 CO -0.02 0.48 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.17 1pkx s LEU 381 N 0.27 0.90 -1.50 4.42 2.96 -0.14 -4.80 118.68 120.78 1pkx s LEU 381 Ca 0.01 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1pkx s LEU 381 Cb -0.13 -0.57 0.07 0.00 0.50 0.00 0.00 46.19 46.06 1pkx s LEU 381 CO 0.01 -0.22 0.83 0.33 -1.32 0.00 0.00 176.35 175.99 1pkx n PHE 382 N 5.08 -2.07 -0.04 5.38 7.35 -1.26 -1.22 117.46 130.67 1pkx n PHE 382 Ca -0.09 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 1pkx n PHE 382 Cb 0.49 -3.89 0.00 0.00 0.35 0.00 0.00 39.48 36.43 1pkx n PHE 382 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pkx n GLY 383 N -1.66 2.77 3.99 7.13 0.00 -1.26 -5.02 105.19 111.14 1pkx n GLY 383 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 1pkx n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 384 N 0.00 3.90 -0.16 0.99 1.43 -0.36 -5.08 118.68 119.40 1pkx s LEU 384 Ca 0.00 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1pkx s LEU 384 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1pkx s LEU 384 CO 0.00 -0.51 -0.16 -1.00 0.23 0.00 0.00 176.35 174.91 1pkx s HIS 385 N -2.23 2.77 -0.28 0.29 3.76 -1.26 -0.96 115.29 117.37 1pkx s HIS 385 Ca 0.47 -1.14 -0.07 0.00 -0.15 0.00 0.00 55.06 54.17 1pkx s HIS 385 Cb -0.10 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.70 1pkx s HIS 385 CO 0.32 -0.53 0.07 -0.51 -0.85 0.00 0.00 174.74 173.24 1pkx s LEU 386 N 0.88 3.68 0.03 0.89 1.43 -0.27 -4.96 118.68 120.37 1pkx s LEU 386 Ca -0.04 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1pkx s LEU 386 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1pkx s LEU 386 CO -0.02 -0.14 -0.09 -0.55 0.23 0.00 0.00 176.35 175.78 1pkx s SER 387 N 1.53 4.42 0.12 2.29 0.15 -1.26 -1.40 113.70 119.55 1pkx s SER 387 Ca 0.04 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 1pkx s SER 387 Cb -0.16 -0.94 0.07 0.00 -1.71 0.00 0.00 66.02 63.28 1pkx s SER 387 CO 0.02 0.26 0.85 0.00 1.20 0.00 0.00 173.24 175.57 1pkx s GLN 388 N -1.58 1.17 0.23 5.44 -2.07 -0.26 -5.01 119.66 117.57 1pkx s GLN 388 Ca 0.18 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 1pkx s GLN 388 Cb -0.11 0.45 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1pkx s GLN 388 CO 0.08 -0.53 1.07 0.21 -1.32 0.00 0.00 175.29 174.81 1pkx s LYS 389 N -3.39 4.66 1.02 9.60 2.20 -1.26 -0.75 119.74 131.83 1pkx s LYS 389 Ca 0.08 1.71 -0.12 0.00 -0.36 0.00 0.00 55.97 57.27 1pkx s LYS 389 Cb -0.02 -3.24 0.20 0.00 -1.51 0.00 0.00 37.83 33.26 1pkx s LYS 389 CO -0.03 0.21 1.08 -0.98 -0.36 0.00 0.00 175.35 175.28 1pkx s ARG 390 N -0.96 0.23 -0.96 4.03 1.70 0.11 -4.87 118.95 118.24 1pkx s ARG 390 Ca 0.46 0.56 -0.22 0.00 -0.47 0.00 0.00 55.73 56.06 1pkx s ARG 390 Cb -0.30 -1.71 0.08 0.00 -0.57 0.00 0.00 34.95 32.45 1pkx s ARG 390 CO 0.37 -2.88 1.31 1.21 -1.08 0.00 0.00 175.30 174.23 1pkx s ASN 391 N -3.33 6.51 -0.39 -2.89 3.84 -1.26 -4.80 114.94 112.62 1pkx s ASN 391 Ca 0.66 -1.59 0.06 0.00 0.21 0.00 0.00 52.86 52.20 1pkx s ASN 391 Cb -0.19 -2.50 0.67 0.00 -0.55 0.00 0.00 41.25 38.68 1pkx s ASN 391 CO 0.59 -1.37 1.83 0.59 -2.79 0.00 0.00 177.10 175.95 1pkx n ASN 392 N 8.04 3.94 -4.72 -4.21 3.02 -1.26 -4.99 115.26 115.09 1pkx n ASN 392 Ca 0.27 -3.50 -0.43 0.00 -0.03 0.00 0.00 54.58 50.89 1pkx n ASN 392 Cb 0.50 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 38.87 1pkx n ASN 392 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkx n GLY 393 N -0.84 1.03 3.78 7.41 0.00 -1.26 -4.95 105.19 110.35 1pkx n GLY 393 Ca 0.51 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.58 1pkx n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkx s VAL 394 N -0.40 5.22 -0.38 1.61 1.01 -1.26 -5.05 120.40 121.15 1pkx s VAL 394 Ca 0.62 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 1pkx s VAL 394 Cb -0.55 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.26 1pkx s VAL 394 CO 0.54 0.46 0.16 -0.69 0.00 0.00 0.00 175.10 175.57 1pkx s VAL 395 N -0.14 3.26 0.29 2.92 1.01 -1.26 -4.85 120.40 121.63 1pkx s VAL 395 Ca 0.20 -1.87 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1pkx s VAL 395 Cb -0.14 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1pkx s VAL 395 CO 0.08 -0.55 0.32 -0.90 0.00 0.00 0.00 175.10 174.05 1pkx n ASP 396 N 4.61 -0.86 -0.18 3.32 5.68 -1.26 -4.83 116.55 123.03 1pkx n ASP 396 Ca -0.05 -2.72 -0.02 0.00 -0.50 0.00 0.00 54.79 51.50 1pkx n ASP 396 Cb 0.42 1.75 0.08 0.00 -1.14 0.00 0.00 41.12 42.23 1pkx n ASP 396 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pkx h LYS 397 N 0.00 0.44 -0.95 0.11 5.09 -1.96 -1.91 116.57 117.39 1pkx h LYS 397 Ca -0.21 -0.03 0.24 0.00 0.09 0.00 0.00 60.65 60.74 1pkx h LYS 397 Cb 1.00 -0.10 -0.07 0.00 0.10 0.00 0.00 32.23 33.16 1pkx h LYS 397 CO 0.30 0.29 0.64 1.03 -2.09 0.00 0.00 179.45 179.62 1pkx h SER 398 N 0.45 0.32 0.07 7.07 0.87 -1.98 -0.75 113.55 119.60 1pkx h SER 398 Ca 0.26 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1pkx h SER 398 Cb 0.25 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1pkx h SER 398 CO -0.23 0.10 -0.13 0.25 -0.53 0.00 0.00 176.83 176.29 1pkx h LEU 399 N 0.30 0.13 -2.53 2.23 5.85 -1.67 -2.71 115.31 116.91 1pkx h LEU 399 Ca 0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1pkx h LEU 399 Cb 1.42 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1pkx h LEU 399 CO -0.16 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.71 1pkx n PHE 400 N -4.31 0.93 0.97 1.25 3.72 -0.29 -4.43 117.46 115.29 1pkx n PHE 400 Ca -0.01 -0.46 0.10 0.00 -0.05 0.00 0.00 57.45 57.03 1pkx n PHE 400 Cb 0.24 -0.01 0.52 0.00 -0.94 0.00 0.00 39.48 39.30 1pkx n PHE 400 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pkx n SER 401 N 1.50 0.00 -3.99 4.37 3.41 -1.02 -4.18 113.62 113.70 1pkx n SER 401 Ca 0.23 0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.45 1pkx n SER 401 Cb 0.58 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1pkx n SER 401 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pkx n ASN 402 N -1.31 6.37 -4.75 4.04 5.15 -1.26 -5.01 115.26 118.49 1pkx n ASN 402 Ca 0.09 -3.40 -0.40 0.00 -0.60 0.00 0.00 54.58 50.27 1pkx n ASN 402 Cb 0.18 -1.28 -0.05 0.00 -0.53 0.00 0.00 39.78 38.09 1pkx n ASN 402 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pkx s VAL 403 N -2.65 3.93 -0.48 3.44 1.01 -1.26 -1.79 120.40 122.61 1pkx s VAL 403 Ca 0.31 1.89 0.06 0.00 0.00 0.00 0.00 61.98 64.24 1pkx s VAL 403 Cb 0.05 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1pkx s VAL 403 CO 0.10 0.43 0.41 1.33 0.00 0.00 0.00 175.10 177.37 1pkx n VAL 404 N 1.60 0.00 -2.16 2.92 0.24 -0.28 -4.94 118.33 115.72 1pkx n VAL 404 Ca -0.01 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 1pkx n VAL 404 Cb 0.47 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1pkx n VAL 404 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pkx s THR 405 N -1.23 4.77 -0.77 3.34 -4.23 -1.25 -4.92 115.64 111.35 1pkx s THR 405 Ca 0.04 0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1pkx s THR 405 Cb 0.05 -3.86 -0.14 0.00 1.34 0.00 0.00 72.50 69.89 1pkx s THR 405 CO 0.19 -1.02 2.84 0.29 -0.54 0.00 0.00 174.62 176.39 1pkx n LYS 406 N -2.50 2.47 0.00 3.99 5.02 -1.26 -3.85 118.16 122.02 1pkx n LYS 406 Ca 0.04 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1pkx n LYS 406 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1pkx n LYS 406 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pkx n ASN 407 N 3.28 0.00 -1.67 4.39 2.85 -1.26 -5.06 115.26 117.78 1pkx n ASN 407 Ca 0.53 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.08 1pkx n ASN 407 Cb 0.44 0.00 0.37 0.00 1.24 0.00 0.00 39.78 41.83 1pkx n ASN 407 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1pkx n LYS 408 N 0.00 4.11 -3.22 1.20 5.02 -1.25 -4.76 118.16 119.26 1pkx n LYS 408 Ca 0.00 -2.99 -0.44 0.00 -2.02 0.00 0.00 58.31 52.87 1pkx n LYS 408 Cb 0.00 -2.02 -0.07 0.00 -0.02 0.00 0.00 35.03 32.93 1pkx n LYS 408 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pkx s ASP 409 N -0.90 6.21 -0.46 4.39 1.01 -1.26 -4.93 116.67 120.73 1pkx s ASP 409 Ca 0.52 -0.94 -0.16 0.00 0.71 0.00 0.00 52.55 52.68 1pkx s ASP 409 Cb 0.36 -2.26 0.06 0.00 1.01 0.00 0.00 42.92 42.08 1pkx s ASP 409 CO 0.22 -0.80 0.39 -0.22 0.21 0.00 0.00 175.17 174.96 1pkx s LEU 410 N 2.38 5.43 0.52 1.23 2.96 -1.26 -5.07 118.68 124.87 1pkx s LEU 410 Ca 0.13 -1.17 -0.23 0.00 -0.22 0.00 0.00 54.13 52.64 1pkx s LEU 410 Cb -0.20 -2.20 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 1pkx s LEU 410 CO 0.11 -0.61 1.38 -2.16 -1.32 0.00 0.00 176.35 173.75 1pkx s PRO 411 N 1.73 3.27 0.27 0.98 0.04 -1.26 -4.73 135.00 135.30 1pkx s PRO 411 Ca 0.05 2.30 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 1pkx s PRO 411 Cb -0.22 -2.36 0.52 0.00 0.04 0.00 0.00 34.50 32.48 1pkx s PRO 411 CO 0.08 -1.10 1.61 0.93 0.04 0.00 0.00 177.00 178.55 1pkx h GLU 412 N 1.68 0.06 -0.48 4.56 4.39 -1.99 0.24 114.58 123.03 1pkx h GLU 412 Ca -0.51 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 1pkx h GLU 412 Cb 1.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1pkx h GLU 412 CO 0.58 0.04 0.19 0.66 -1.16 0.00 0.00 179.01 179.32 1pkx h SER 413 N 0.06 0.63 -0.31 1.42 4.64 -1.99 -0.75 113.55 117.25 1pkx h SER 413 Ca 0.47 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.59 1pkx h SER 413 Cb 0.86 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1pkx h SER 413 CO -0.79 0.57 -0.28 0.00 -0.87 0.00 0.00 176.83 175.46 1pkx h ALA 414 N 1.52 0.78 -0.49 5.18 0.00 -0.93 -1.49 119.26 123.84 1pkx h ALA 414 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1pkx h ALA 414 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1pkx h ALA 414 CO -0.02 0.65 0.13 1.25 0.00 0.00 0.00 179.25 181.26 1pkx h LEU 415 N 0.70 0.73 -0.24 0.00 6.46 -0.61 -1.15 115.31 121.19 1pkx h LEU 415 Ca 0.08 -0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1pkx h LEU 415 Cb 0.82 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1pkx h LEU 415 CO 0.07 0.76 0.08 -0.09 -0.62 0.00 0.00 178.44 178.65 1pkx h ARG 416 N 0.66 0.18 -0.03 1.25 2.43 -0.89 -1.66 114.38 116.33 1pkx h ARG 416 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1pkx h ARG 416 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1pkx h ARG 416 CO -0.00 0.12 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.61 1pkx h ASP 417 N 0.19 0.09 0.10 -3.80 3.32 -1.09 -1.70 116.42 113.52 1pkx h ASP 417 Ca 0.10 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1pkx h ASP 417 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1pkx h ASP 417 CO -0.11 0.61 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.45 1pkx h LEU 418 N 0.06 0.50 -0.21 1.55 3.38 -1.03 -0.56 115.31 119.01 1pkx h LEU 418 Ca -0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1pkx h LEU 418 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1pkx h LEU 418 CO 0.07 0.92 -0.05 0.40 0.09 0.00 0.00 178.44 179.87 1pkx h ILE 419 N 0.36 1.29 -0.32 1.22 2.04 -1.02 -0.32 117.51 120.76 1pkx h ILE 419 Ca 0.02 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1pkx h ILE 419 Cb 1.01 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1pkx h ILE 419 CO 0.09 0.32 0.13 0.58 0.00 0.00 0.00 178.15 179.27 1pkx h VAL 420 N 0.13 0.94 -0.68 1.67 2.07 -1.13 -1.81 116.25 117.45 1pkx h VAL 420 Ca 0.05 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1pkx h VAL 420 Cb 0.51 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1pkx h VAL 420 CO 0.02 0.05 0.17 0.00 0.02 0.00 0.00 177.57 177.83 1pkx h ALA 421 N 1.19 0.90 -0.33 1.67 0.00 -1.02 -1.73 119.26 119.94 1pkx h ALA 421 Ca 0.14 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1pkx h ALA 421 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pkx h ALA 421 CO -0.12 0.62 -0.47 1.15 0.00 0.00 0.00 179.25 180.43 1pkx h THR 422 N 1.02 1.27 -0.34 0.00 2.02 -0.90 -0.92 112.91 115.07 1pkx h THR 422 Ca 0.21 -1.65 -0.11 0.00 0.77 0.00 0.00 66.41 65.64 1pkx h THR 422 Cb 0.37 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1pkx h THR 422 CO 0.00 0.54 -0.24 0.40 0.37 0.00 0.00 175.52 176.59 1pkx h ILE 423 N 0.70 1.27 0.25 3.11 2.04 -1.30 -0.32 117.51 123.27 1pkx h ILE 423 Ca 0.04 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1pkx h ILE 423 Cb 1.07 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1pkx h ILE 423 CO 0.11 0.44 -0.12 0.00 0.00 0.00 0.00 178.15 178.58 1pkx h ALA 424 N 1.14 -0.34 -0.79 1.87 0.00 -1.17 -2.42 119.26 117.56 1pkx h ALA 424 Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1pkx h ALA 424 Cb 0.73 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1pkx h ALA 424 CO 0.06 -0.67 0.52 0.28 0.00 0.00 0.00 179.25 179.43 1pkx h VAL 425 N -0.37 0.92 0.00 0.00 2.07 -1.01 -0.36 116.25 117.50 1pkx h VAL 425 Ca -0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1pkx h VAL 425 Cb 0.28 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1pkx h VAL 425 CO 0.06 0.12 -0.02 0.50 0.02 0.00 0.00 177.57 178.25 1pkx h LYS 426 N 0.68 0.00 -0.13 1.57 3.64 -0.54 -2.51 116.57 119.28 1pkx h LYS 426 Ca 0.37 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1pkx h LYS 426 Cb 0.51 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1pkx h LYS 426 CO -0.14 0.02 -0.29 0.66 -2.27 0.00 0.00 179.45 177.43 1pkx n TYR 427 N -4.04 0.41 -4.75 1.91 4.01 -0.18 -4.78 117.16 109.74 1pkx n TYR 427 Ca -0.03 -1.47 -0.33 0.00 -0.16 0.00 0.00 57.90 55.91 1pkx n TYR 427 Cb 0.10 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 38.69 1pkx n TYR 427 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pkx s THR 428 N -3.20 3.39 0.23 -0.72 2.01 -0.95 -4.30 115.64 112.10 1pkx s THR 428 Ca 0.40 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1pkx s THR 428 Cb 0.37 -2.36 -0.11 0.00 0.01 0.00 0.00 72.50 70.41 1pkx s THR 428 CO -0.03 0.59 1.57 -1.10 -0.69 0.00 0.00 174.62 174.96 1pkx s GLN 429 N -0.72 4.18 0.60 4.92 -1.52 -1.26 -4.43 119.66 121.44 1pkx s GLN 429 Ca 0.11 2.45 -0.14 0.00 -1.95 0.00 0.00 55.36 55.83 1pkx s GLN 429 Cb -0.11 -3.09 -0.04 0.00 -0.22 0.00 0.00 33.01 29.55 1pkx s GLN 429 CO 0.01 -0.59 1.04 -1.12 -0.25 0.00 0.00 175.29 174.37 1pkx s SER 430 N 0.77 5.96 0.69 5.90 0.01 -0.72 -0.18 113.70 126.13 1pkx s SER 430 Ca 0.66 1.67 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 1pkx s SER 430 Cb -0.45 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.27 1pkx s SER 430 CO 0.39 -1.04 1.08 0.54 0.41 0.00 0.00 173.24 174.62 1pkx s ASN 431 N -3.20 5.51 0.01 2.44 6.03 -0.60 -3.23 114.94 121.90 1pkx s ASN 431 Ca 0.60 1.13 -0.03 0.00 -1.03 0.00 0.00 52.86 53.53 1pkx s ASN 431 Cb -0.14 -1.95 -0.01 0.00 -3.03 0.00 0.00 41.25 36.12 1pkx s ASN 431 CO 0.41 -1.29 0.03 -0.44 -2.03 0.00 0.00 177.10 173.78 1pkx s SER 432 N -4.34 0.16 -0.08 3.54 0.01 -1.26 -2.37 113.70 109.36 1pkx s SER 432 Ca 0.58 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 57.39 1pkx s SER 432 Cb -0.11 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1pkx s SER 432 CO 0.51 -0.32 0.20 -0.69 0.41 0.00 0.00 173.24 173.35 1pkx s VAL 433 N -1.42 -0.02 -0.03 3.43 1.01 -1.17 -1.88 120.40 120.32 1pkx s VAL 433 Ca -0.15 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1pkx s VAL 433 Cb -0.09 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1pkx s VAL 433 CO -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 175.10 175.05 1pkx s TYR 435 N 0.31 3.26 0.08 0.00 1.51 0.17 -1.50 117.35 121.18 1pkx s TYR 435 Ca -0.05 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1pkx s TYR 435 Cb -0.09 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1pkx s TYR 435 CO 0.00 0.23 -0.08 0.00 -1.11 0.00 0.00 175.55 174.59 1pkx s ALA 436 N 0.12 0.92 -0.22 3.71 0.00 0.12 -0.32 121.76 126.09 1pkx s ALA 436 Ca 0.05 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.62 1pkx s ALA 436 Cb -0.12 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.17 1pkx s ALA 436 CO 0.01 -0.09 0.90 0.21 0.00 0.00 0.00 175.76 176.78 1pkx s LYS 437 N -2.77 0.68 -1.39 0.00 2.20 0.23 -0.99 119.74 117.70 1pkx s LYS 437 Ca 0.03 0.57 -0.10 0.00 -0.36 0.00 0.00 55.97 56.11 1pkx s LYS 437 Cb -0.02 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1pkx s LYS 437 CO -0.01 -0.13 1.14 0.09 -0.36 0.00 0.00 175.35 176.08 1pkx n ASN 438 N 1.87 -5.98 -0.42 1.43 3.02 -1.26 -1.99 115.26 111.93 1pkx n ASN 438 Ca -0.13 -0.59 -0.05 0.00 -0.03 0.00 0.00 54.58 53.77 1pkx n ASN 438 Cb 0.56 -4.80 -0.02 0.00 -0.61 0.00 0.00 39.78 34.90 1pkx n ASN 438 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkx n GLY 439 N -1.94 0.73 3.10 7.41 0.00 -1.26 -4.78 105.19 108.45 1pkx n GLY 439 Ca 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1pkx n GLY 439 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pkx s GLN 440 N -1.98 0.58 0.15 1.61 -2.07 -0.84 -1.25 119.66 115.86 1pkx s GLN 440 Ca 0.00 -0.85 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 1pkx s GLN 440 Cb 0.00 0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 32.07 1pkx s GLN 440 CO 0.00 -0.14 1.20 0.08 -1.32 0.00 0.00 175.29 175.11 1pkx s VAL 441 N -2.87 3.71 -0.05 3.63 1.01 -0.45 -0.60 120.40 124.78 1pkx s VAL 441 Ca -0.03 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.35 1pkx s VAL 441 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1pkx s VAL 441 CO -0.06 0.19 0.07 2.30 0.00 0.00 0.00 175.10 177.60 1pkx n ILE 442 N 2.91 0.00 -3.65 2.22 -5.35 0.57 -4.72 119.36 111.34 1pkx n ILE 442 Ca 0.06 -0.26 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 1pkx n ILE 442 Cb 0.45 0.74 -0.07 0.00 -1.74 0.00 0.00 39.64 39.02 1pkx n ILE 442 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pkx s GLY 443 N -1.71 -0.62 -0.03 3.28 0.00 -0.95 -3.46 107.32 103.84 1pkx s GLY 443 Ca 0.00 2.33 -0.02 0.00 0.00 0.00 0.00 44.72 47.03 1pkx s GLY 443 CO 0.09 2.40 0.08 -1.50 0.00 0.00 0.00 173.10 174.16 1pkx s ILE 444 N 1.72 -0.01 -0.02 0.90 2.07 -1.26 0.41 121.20 125.02 1pkx s ILE 444 Ca -0.10 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1pkx s ILE 444 Cb -0.06 -0.12 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 1pkx s ILE 444 CO -0.19 0.01 -0.21 -0.83 -1.91 0.00 0.00 174.94 171.80 1pkx s GLY 445 N 0.17 1.39 0.03 1.50 0.00 -0.60 -4.62 107.32 105.19 1pkx s GLY 445 Ca -0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 1pkx s GLY 445 CO -0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 173.10 172.17 1pkx s ALA 446 N -0.69 0.17 -1.85 3.20 0.00 -1.26 -3.06 121.76 118.26 1pkx s ALA 446 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1pkx s ALA 446 Cb -0.10 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1pkx s ALA 446 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1pkx n GLY 447 N 1.29 1.69 3.94 0.00 0.00 0.74 -4.86 105.19 107.98 1pkx n GLY 447 Ca -0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1pkx n GLY 447 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkx s GLN 448 N -3.46 2.29 -0.02 1.61 -1.52 -1.22 -4.55 119.66 112.79 1pkx s GLN 448 Ca 0.00 -0.37 0.03 0.00 -1.95 0.00 0.00 55.36 53.07 1pkx s GLN 448 Cb 0.00 -2.24 0.04 0.00 -0.22 0.00 0.00 33.01 30.59 1pkx s GLN 448 CO 0.00 -1.11 0.98 1.04 -0.25 0.00 0.00 175.29 175.95 1pkx n GLN 449 N -2.78 2.45 -3.83 2.91 6.02 -1.26 -1.56 117.38 119.33 1pkx n GLN 449 Ca 0.08 -1.56 -0.15 0.00 -0.01 0.00 0.00 57.00 55.36 1pkx n GLN 449 Cb 0.60 -1.02 -0.15 0.00 1.02 0.00 0.00 30.24 30.69 1pkx n GLN 449 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pkx s SER 450 N -1.18 0.12 0.06 1.08 0.15 -1.26 -5.08 113.70 107.60 1pkx s SER 450 Ca 0.05 0.02 -0.36 0.00 0.70 0.00 0.00 55.95 56.35 1pkx s SER 450 Cb 0.04 -0.08 -0.20 0.00 -1.71 0.00 0.00 66.02 64.07 1pkx s SER 450 CO 0.00 -0.09 1.55 -0.09 1.20 0.00 0.00 173.24 175.81 1pkx h ARG 451 N 6.98 -1.25 -0.85 5.44 9.65 -1.97 -2.37 114.38 130.01 1pkx h ARG 451 Ca -0.40 0.09 0.16 0.00 -1.10 0.00 0.00 59.98 58.73 1pkx h ARG 451 Cb 1.15 0.28 -0.06 0.00 -1.39 0.00 0.00 29.97 29.95 1pkx h ARG 451 CO 0.49 -0.83 0.56 0.97 2.80 0.00 0.00 179.97 183.95 1pkx h ILE 452 N -1.30 0.77 -0.59 1.20 6.09 -1.98 0.70 117.51 122.40 1pkx h ILE 452 Ca -0.13 -0.17 -0.03 0.00 -1.37 0.00 0.00 64.86 63.16 1pkx h ILE 452 Cb 1.00 0.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1pkx h ILE 452 CO 0.20 0.09 0.26 0.45 -3.07 0.00 0.00 178.15 176.08 1pkx h HIS 453 N 0.51 0.88 -0.30 2.19 3.86 -1.96 -0.70 115.15 119.63 1pkx h HIS 453 Ca 0.43 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.48 1pkx h HIS 453 Cb 0.91 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1pkx h HIS 453 CO -0.00 0.69 -0.24 0.00 0.86 0.00 0.00 177.93 179.24 1pkx h THR 455 N 0.51 1.27 -0.31 0.00 2.02 -0.80 -1.03 112.91 114.56 1pkx h THR 455 Ca 0.07 -1.19 -0.14 0.00 0.77 0.00 0.00 66.41 65.93 1pkx h THR 455 Cb 0.69 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1pkx h THR 455 CO 0.05 0.43 -0.35 0.03 0.37 0.00 0.00 175.52 176.05 1pkx h ARG 456 N 0.96 0.79 -0.61 6.66 3.08 -0.89 -1.04 114.38 123.33 1pkx h ARG 456 Ca 0.16 -0.43 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 1pkx h ARG 456 Cb 0.59 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1pkx h ARG 456 CO 0.04 1.06 0.08 1.25 -1.07 0.00 0.00 179.97 181.33 1pkx h LEU 457 N 0.56 0.99 -0.47 3.04 6.46 -1.07 -1.03 115.31 123.78 1pkx h LEU 457 Ca 0.05 -0.27 -0.14 0.00 -0.12 0.00 0.00 57.88 57.39 1pkx h LEU 457 Cb 0.94 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1pkx h LEU 457 CO 0.09 1.01 -0.30 0.00 -0.62 0.00 0.00 178.44 178.61 1pkx h ALA 458 N 1.02 0.66 -0.70 1.25 0.00 -1.17 -2.92 119.26 117.40 1pkx h ALA 458 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pkx h ALA 458 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1pkx h ALA 458 CO 0.01 0.67 0.38 0.78 0.00 0.00 0.00 179.25 181.10 1pkx h GLY 459 N 0.85 1.03 0.98 0.00 0.00 -0.82 -1.84 103.07 103.27 1pkx h GLY 459 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1pkx h GLY 459 CO 0.08 0.44 -0.12 -0.55 0.00 0.00 0.00 176.54 176.39 1pkx h ASP 460 N 0.97 0.78 -0.99 0.19 3.32 -1.08 -2.00 116.42 117.61 1pkx h ASP 460 Ca 0.25 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1pkx h ASP 460 Cb 0.03 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 1pkx h ASP 460 CO -0.04 0.98 0.64 0.11 -1.72 0.00 0.00 179.24 179.21 1pkx h LYS 461 N 0.57 1.16 -0.54 3.56 1.57 -1.28 -0.94 116.57 120.67 1pkx h LYS 461 Ca 0.09 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1pkx h LYS 461 Cb 0.65 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1pkx h LYS 461 CO 0.04 0.77 0.11 0.00 -0.57 0.00 0.00 179.45 179.80 1pkx h ALA 462 N 1.43 1.17 -0.62 3.86 0.00 -1.06 -1.94 119.26 122.11 1pkx h ALA 462 Ca 0.41 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1pkx h ALA 462 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pkx h ALA 462 CO -0.15 0.56 0.09 -0.91 0.00 0.00 0.00 179.25 178.83 1pkx h ASN 463 N 0.81 1.00 -0.53 0.00 2.35 -0.47 -1.72 115.58 117.01 1pkx h ASN 463 Ca 0.17 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 1pkx h ASN 463 Cb 0.33 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1pkx h ASN 463 CO 0.00 1.01 -0.13 1.88 -1.65 0.00 0.00 177.43 178.54 1pkx h TYR 464 N 0.94 1.16 -0.45 1.19 0.99 -1.01 0.36 116.97 120.15 1pkx h TYR 464 Ca 0.19 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1pkx h TYR 464 Cb 0.44 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 37.87 1pkx h TYR 464 CO 0.03 1.08 0.29 2.35 -0.00 0.00 0.00 178.16 181.91 1pkx h TRP 465 N 0.90 0.58 -0.56 4.88 7.01 -1.22 -1.36 115.95 126.18 1pkx h TRP 465 Ca 0.14 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.04 1pkx h TRP 465 Cb 0.70 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1pkx h TRP 465 CO 0.05 0.37 -0.06 2.35 -2.79 0.00 0.00 178.44 178.36 1pkx h TRP 466 N 0.61 1.13 0.00 2.65 -0.00 -1.02 -2.73 115.95 116.60 1pkx h TRP 466 Ca 0.17 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1pkx h TRP 466 Cb -0.06 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 28.81 1pkx h TRP 466 CO -0.04 1.03 -0.06 -0.07 -0.00 0.00 0.00 178.44 179.30 1pkx h LEU 467 N 0.93 0.00 0.00 0.65 3.38 0.29 0.11 115.31 120.66 1pkx h LEU 467 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pkx h LEU 467 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pkx h LEU 467 CO 0.04 0.06 0.00 0.54 0.09 0.00 0.00 178.44 179.17 1pkx n ARG 468 N -3.71 0.36 0.00 1.13 1.74 -0.56 -1.95 116.66 113.66 1pkx n ARG 468 Ca -0.02 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1pkx n ARG 468 Cb 0.16 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.29 1pkx n ARG 468 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pkx n HIS 469 N -1.22 0.00 -1.75 -1.55 8.25 0.37 -4.61 115.22 114.71 1pkx n HIS 469 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 1pkx n HIS 469 Cb 0.13 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 1pkx n HIS 469 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pkx n HIS 470 N 0.24 2.79 -0.34 4.41 -0.00 -0.82 -4.78 115.22 116.71 1pkx n HIS 470 Ca 0.13 0.47 0.16 0.00 -0.00 0.00 0.00 57.72 58.48 1pkx n HIS 470 Cb 0.46 -2.50 0.35 0.00 -0.00 0.00 0.00 29.99 28.31 1pkx n HIS 470 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1pkx h PRO 471 N 2.80 0.55 0.00 1.57 0.11 -1.94 0.30 132.00 135.39 1pkx h PRO 471 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1pkx h PRO 471 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pkx h PRO 471 CO 0.63 0.36 0.00 1.96 -0.21 0.00 0.00 178.00 180.75 1pkx h GLN 472 N 0.57 0.00 0.12 1.05 4.20 -1.96 -1.21 115.11 117.88 1pkx h GLN 472 Ca 0.61 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 59.00 1pkx h GLN 472 Cb 1.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1pkx h GLN 472 CO -0.47 0.00 -1.68 0.28 -0.67 0.00 0.00 178.83 176.29 1pkx h VAL 473 N 0.00 0.85 0.00 -0.54 2.07 -0.77 -3.33 116.25 114.53 1pkx h VAL 473 Ca 0.00 -2.38 -0.05 0.00 0.82 0.00 0.00 66.70 65.09 1pkx h VAL 473 Cb 0.46 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1pkx h VAL 473 CO 0.00 0.77 -0.25 -0.07 0.02 0.00 0.00 177.57 178.04 1pkx h LEU 474 N -0.15 0.00 0.00 2.57 3.38 -1.15 -3.01 115.31 116.95 1pkx h LEU 474 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pkx h LEU 474 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1pkx h LEU 474 CO 0.07 0.25 -0.18 -1.54 0.09 0.00 0.00 178.44 177.13 1pkx n SER 475 N -3.54 0.40 -4.54 -0.43 3.41 -0.47 -4.95 113.62 103.50 1pkx n SER 475 Ca -0.01 0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 1pkx n SER 475 Cb 0.40 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1pkx n SER 475 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pkx n MET 476 N -1.78 0.97 -3.84 4.33 2.81 -1.14 -5.02 117.12 113.45 1pkx n MET 476 Ca 0.06 0.35 -0.28 0.00 -1.81 0.00 0.00 57.70 56.02 1pkx n MET 476 Cb 0.38 -1.77 -0.16 0.00 -0.71 0.00 0.00 33.22 30.95 1pkx n MET 476 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pkx s LYS 477 N -1.78 1.13 0.12 0.03 -0.14 -1.26 -5.10 119.74 112.74 1pkx s LYS 477 Ca 0.63 -0.48 -0.05 0.00 -1.36 0.00 0.00 55.97 54.71 1pkx s LYS 477 Cb -0.60 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 33.50 1pkx s LYS 477 CO 0.57 -0.50 0.35 -0.06 -0.76 0.00 0.00 175.35 174.95 1pkx s PHE 478 N 1.71 3.50 0.79 3.18 0.40 -1.26 0.75 117.98 127.05 1pkx s PHE 478 Ca -0.00 0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 56.77 1pkx s PHE 478 Cb -0.16 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1pkx s PHE 478 CO -0.07 0.47 1.09 -1.59 0.70 0.00 0.00 175.22 175.82 1pkx s LYS 479 N -2.49 2.09 0.12 0.44 0.00 -0.75 -4.67 119.74 114.48 1pkx s LYS 479 Ca 0.38 1.07 -0.33 0.00 0.00 0.00 0.00 55.97 57.09 1pkx s LYS 479 Cb -0.12 -1.89 -0.13 0.00 0.00 0.00 0.00 37.83 35.69 1pkx s LYS 479 CO 0.23 -1.73 1.70 0.25 0.00 0.00 0.00 175.35 175.80 1pkx n THR 480 N -3.57 0.16 0.00 3.79 -2.24 -1.26 -2.04 114.28 109.13 1pkx n THR 480 Ca 0.08 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1pkx n THR 480 Cb 0.54 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1pkx n THR 480 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkx n GLY 481 N 3.81 3.22 3.68 3.38 0.00 -1.26 -5.05 105.19 112.96 1pkx n GLY 481 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1pkx n GLY 481 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkx s VAL 482 N -2.80 3.42 0.69 1.61 1.01 -0.86 -4.98 120.40 118.49 1pkx s VAL 482 Ca 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1pkx s VAL 482 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1pkx s VAL 482 CO 0.00 -0.03 1.06 -0.54 0.00 0.00 0.00 175.10 175.59 1pkx s LYS 483 N 3.21 2.72 0.04 2.72 1.02 -1.26 -4.87 119.74 123.32 1pkx s LYS 483 Ca 0.71 0.27 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 1pkx s LYS 483 Cb -0.35 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1pkx s LYS 483 CO 0.30 -1.05 1.18 0.00 -0.92 0.00 0.00 175.35 174.86 1pkx h ARG 484 N -0.60 -0.11 -0.47 1.68 3.08 -1.96 -0.60 114.38 115.40 1pkx h ARG 484 Ca -0.45 0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.72 1pkx h ARG 484 Cb 1.27 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1pkx h ARG 484 CO 0.63 -0.07 0.33 0.00 -1.07 0.00 0.00 179.97 179.79 1pkx h ALA 485 N -0.83 2.29 -0.32 0.04 0.00 -1.95 0.71 119.26 119.21 1pkx h ALA 485 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1pkx h ALA 485 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pkx h ALA 485 CO -0.21 -0.42 -0.00 0.93 0.00 0.00 0.00 179.25 179.54 1pkx h GLU 486 N 0.11 0.56 -0.45 0.00 3.07 -1.67 -0.53 114.58 115.66 1pkx h GLU 486 Ca 0.22 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1pkx h GLU 486 Cb 0.74 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1pkx h GLU 486 CO -0.02 0.70 -0.07 0.82 -1.40 0.00 0.00 179.01 179.03 1pkx h ILE 487 N 0.36 1.27 -0.39 3.13 2.04 0.04 -1.67 117.51 122.30 1pkx h ILE 487 Ca 0.09 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1pkx h ILE 487 Cb 0.45 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1pkx h ILE 487 CO 0.02 0.40 0.24 -1.28 0.00 0.00 0.00 178.15 177.52 1pkx h SER 488 N 0.68 0.46 0.30 1.72 0.87 -0.74 -1.52 113.55 115.33 1pkx h SER 488 Ca 0.12 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 1pkx h SER 488 Cb 0.60 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1pkx h SER 488 CO 0.04 0.38 -0.66 0.78 -0.53 0.00 0.00 176.83 176.83 1pkx h ASN 489 N 0.51 0.38 -0.70 6.23 2.35 -1.08 -2.36 115.58 120.91 1pkx h ASN 489 Ca 0.14 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1pkx h ASN 489 Cb -0.01 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1pkx h ASN 489 CO -0.03 0.94 0.26 0.00 -1.65 0.00 0.00 177.43 176.95 1pkx h ALA 490 N 1.06 0.91 -0.17 -0.83 0.00 -1.11 -0.86 119.26 118.27 1pkx h ALA 490 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1pkx h ALA 490 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1pkx h ALA 490 CO 0.11 0.56 -0.54 0.82 0.00 0.00 0.00 179.25 180.20 1pkx h ILE 491 N 1.01 1.33 -0.27 0.00 2.04 -1.20 -1.82 117.51 118.59 1pkx h ILE 491 Ca 0.23 -1.79 -0.16 0.00 1.00 0.00 0.00 64.86 64.14 1pkx h ILE 491 Cb 0.24 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1pkx h ILE 491 CO -0.01 0.55 -0.47 0.44 0.00 0.00 0.00 178.15 178.65 1pkx h ASP 492 N 0.39 0.79 0.56 1.72 3.32 -1.16 -1.55 116.42 120.49 1pkx h ASP 492 Ca 0.01 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 1pkx h ASP 492 Cb 1.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1pkx h ASP 492 CO 0.10 1.14 -0.42 1.56 -1.72 0.00 0.00 179.24 179.90 1pkx h GLN 493 N 0.58 0.00 0.06 3.56 4.20 -1.11 -2.41 115.11 119.99 1pkx h GLN 493 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1pkx h GLN 493 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1pkx h GLN 493 CO 0.10 0.42 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.73 1pkx h TYR 494 N 0.00 -0.08 0.00 2.96 3.20 -1.00 -0.12 116.97 121.93 1pkx h TYR 494 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1pkx h TYR 494 Cb 0.81 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1pkx h TYR 494 CO 0.00 0.42 -0.35 -0.39 -1.64 0.00 0.00 178.16 176.20 1pkx h VAL 495 N -0.63 0.77 0.00 1.81 -1.51 -1.28 -3.14 116.25 112.27 1pkx h VAL 495 Ca -0.01 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 1pkx h VAL 495 Cb 0.54 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1pkx h VAL 495 CO 0.01 0.34 -0.68 0.35 -1.23 0.00 0.00 177.57 176.37 1pkx n THR 496 N -3.42 0.05 -2.75 7.19 -2.24 -0.91 -4.98 114.28 107.23 1pkx n THR 496 Ca 0.00 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1pkx n THR 496 Cb 0.53 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1pkx n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkx n GLY 497 N 1.47 0.46 1.84 3.38 0.00 -0.86 -4.98 105.19 106.50 1pkx n GLY 497 Ca 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1pkx n GLY 497 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pkx n THR 498 N -2.99 1.85 0.04 2.61 -2.24 -0.11 -4.78 114.28 108.65 1pkx n THR 498 Ca -0.01 -3.30 -0.11 0.00 -2.27 0.00 0.00 64.05 58.36 1pkx n THR 498 Cb 0.52 -0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1pkx n THR 498 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pkx h ILE 499 N 3.33 1.37 0.00 2.28 2.04 -1.93 -3.46 117.51 121.14 1pkx h ILE 499 Ca 0.09 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1pkx h ILE 499 Cb 1.40 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1pkx h ILE 499 CO 0.37 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.78 1pkx n GLY 500 N 0.62 0.31 2.87 5.37 0.00 -1.26 -4.47 105.19 108.62 1pkx n GLY 500 Ca -0.05 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 1pkx n GLY 500 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pkx n GLU 501 N 0.53 0.92 0.00 1.61 -0.58 -1.26 -3.82 120.64 118.05 1pkx n GLU 501 Ca 0.00 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 54.05 1pkx n GLU 501 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1pkx n GLU 501 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pkx n ASP 502 N -1.69 0.00 0.17 1.62 8.00 -1.26 -2.11 116.55 121.28 1pkx n ASP 502 Ca -0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.30 1pkx n ASP 502 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1pkx n ASP 502 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1pkx h GLU 503 N 0.00 -0.50 -1.00 -1.24 4.39 -2.00 -2.78 114.58 111.45 1pkx h GLU 503 Ca 0.00 0.03 0.28 0.00 0.34 0.00 0.00 59.36 60.01 1pkx h GLU 503 Cb 0.00 0.11 -0.19 0.00 -0.10 0.00 0.00 28.75 28.58 1pkx h GLU 503 CO 0.00 -0.34 0.03 -0.44 -1.16 0.00 0.00 179.01 177.10 1pkx h ASP 504 N -0.52 -0.49 0.26 1.42 3.32 -1.74 -1.88 116.42 116.79 1pkx h ASP 504 Ca -0.00 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1pkx h ASP 504 Cb 0.49 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1pkx h ASP 504 CO -0.06 -0.37 -0.13 0.25 -1.72 0.00 0.00 179.24 177.22 1pkx h LEU 505 N 0.00 -0.30 -0.69 1.55 5.85 -1.55 -2.47 115.31 117.70 1pkx h LEU 505 Ca 0.61 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 59.30 1pkx h LEU 505 Cb 1.25 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 1pkx h LEU 505 CO -0.94 0.00 0.22 0.40 -0.34 0.00 0.00 178.44 177.79 1pkx h ILE 506 N -0.61 0.63 -0.32 4.05 5.03 -1.28 -0.09 117.51 124.91 1pkx h ILE 506 Ca -0.04 -0.12 0.05 0.00 -0.12 0.00 0.00 64.86 64.63 1pkx h ILE 506 Cb 0.44 0.25 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 1pkx h ILE 506 CO 0.06 0.06 0.06 0.07 -0.68 0.00 0.00 178.15 177.72 1pkx h LYS 507 N 0.35 0.17 0.87 2.37 5.09 -1.41 -1.74 116.57 122.27 1pkx h LYS 507 Ca 0.38 -0.01 -0.04 0.00 0.09 0.00 0.00 60.65 61.07 1pkx h LYS 507 Cb 0.58 -0.04 0.01 0.00 0.10 0.00 0.00 32.23 32.87 1pkx h LYS 507 CO -0.42 0.11 -0.45 2.35 -2.09 0.00 0.00 179.45 178.96 1pkx h TRP 508 N 0.17 -1.17 -0.44 0.07 7.01 -0.66 -2.89 115.95 118.05 1pkx h TRP 508 Ca 0.15 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.26 1pkx h TRP 508 Cb 0.17 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 1pkx h TRP 508 CO -0.18 -0.71 0.41 0.87 -2.79 0.00 0.00 178.44 176.04 1pkx h LYS 509 N -1.20 0.00 0.00 2.65 1.79 -0.98 -0.62 116.57 118.21 1pkx h LYS 509 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1pkx h LYS 509 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1pkx h LYS 509 CO 0.17 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 1pkx h ALA 510 N 1.60 1.00 0.00 3.86 0.00 -1.09 -2.79 119.26 121.85 1pkx h ALA 510 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1pkx h ALA 510 Cb 1.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pkx h ALA 510 CO -0.00 0.00 -0.71 -0.07 0.00 0.00 0.00 179.25 178.47 1pkx h LEU 511 N 0.00 0.00 -9.36 0.00 3.38 -1.19 -3.47 115.31 104.67 1pkx h LEU 511 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1pkx h LEU 511 Cb 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1pkx h LEU 511 CO 0.00 0.34 -0.17 -0.36 0.09 0.00 0.00 178.44 178.34 1pkx s PHE 512 N -3.07 3.53 -0.12 1.13 0.40 -1.05 -1.81 117.98 116.99 1pkx s PHE 512 Ca 0.02 0.86 -0.00 0.00 -0.60 0.00 0.00 56.93 57.21 1pkx s PHE 512 Cb 0.08 -2.49 0.10 0.00 0.51 0.00 0.00 43.02 41.21 1pkx s PHE 512 CO 0.75 0.23 1.81 -0.85 0.70 0.00 0.00 175.22 177.86 1pkx n GLU 513 N 3.45 1.31 0.00 0.44 0.00 0.23 -4.09 120.64 121.97 1pkx n GLU 513 Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 57.16 56.45 1pkx n GLU 513 Cb 0.52 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.71 1pkx n GLU 513 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1pkx n GLU 514 N 0.83 0.00 -1.54 3.44 -0.00 -1.26 -4.90 120.64 117.21 1pkx n GLU 514 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 57.16 56.76 1pkx n GLU 514 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.95 1pkx n GLU 514 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1pkx n VAL 515 N 0.00 0.28 -2.84 3.84 0.31 -1.26 -4.79 118.33 113.87 1pkx n VAL 515 Ca 0.00 -0.19 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 1pkx n VAL 515 Cb 0.00 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.27 1pkx n VAL 515 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pkx s PRO 516 N 5.30 4.29 0.13 5.55 0.04 -1.26 -5.02 135.00 144.03 1pkx s PRO 516 Ca 1.04 1.13 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 1pkx s PRO 516 Cb -0.88 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1pkx s PRO 516 CO 0.53 0.07 1.29 -1.21 0.04 0.00 0.00 177.00 177.72 1pkx s GLU 517 N -2.88 4.39 0.78 4.56 8.01 -1.26 -4.99 118.70 127.31 1pkx s GLU 517 Ca 0.58 1.96 -0.13 0.00 0.01 0.00 0.00 54.97 57.39 1pkx s GLU 517 Cb -0.11 -3.26 0.07 0.00 -4.31 0.00 0.00 34.13 26.51 1pkx s GLU 517 CO 0.16 -0.29 1.15 -0.51 0.01 0.00 0.00 175.26 175.77 1pkx s LEU 518 N 0.61 3.14 -0.03 1.80 1.43 -1.26 -4.98 118.68 119.40 1pkx s LEU 518 Ca 0.59 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 1pkx s LEU 518 Cb -0.34 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.26 1pkx s LEU 518 CO 0.33 -2.33 0.41 -0.76 0.23 0.00 0.00 176.35 174.22 1pkx s LEU 519 N -5.66 4.43 0.57 1.79 1.43 -1.26 -5.07 118.68 114.91 1pkx s LEU 519 Ca 0.68 0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 1pkx s LEU 519 Cb -0.23 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1pkx s LEU 519 CO 0.50 0.26 1.02 0.42 0.23 0.00 0.00 176.35 178.78 1pkx s THR 520 N -0.72 4.42 0.57 5.49 -4.23 -1.26 -4.84 115.64 115.07 1pkx s THR 520 Ca 0.23 1.01 0.28 0.00 -1.18 0.00 0.00 61.69 62.03 1pkx s THR 520 Cb -0.16 -3.68 0.38 0.00 1.34 0.00 0.00 72.50 70.38 1pkx s THR 520 CO 0.12 -0.81 1.98 -0.33 -0.54 0.00 0.00 174.62 175.05 1pkx h GLU 521 N 0.33 0.00 -0.02 3.99 4.39 -1.99 0.14 114.58 121.42 1pkx h GLU 521 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1pkx h GLU 521 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1pkx h GLU 521 CO 0.61 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 178.43 1pkx h ALA 522 N 1.64 0.02 -0.28 3.43 0.00 -1.99 -1.75 119.26 120.33 1pkx h ALA 522 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pkx h ALA 522 Cb 0.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1pkx h ALA 522 CO -0.00 -0.17 0.09 0.93 0.00 0.00 0.00 179.25 180.09 1pkx h GLU 523 N -0.50 0.39 -0.22 0.00 5.08 -1.19 -0.89 114.58 117.25 1pkx h GLU 523 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1pkx h GLU 523 Cb 0.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pkx h GLU 523 CO 0.01 0.35 -0.48 0.87 -1.00 0.00 0.00 179.01 178.75 1pkx h LYS 524 N 0.39 0.71 -0.62 2.33 1.57 -0.94 -1.85 116.57 118.16 1pkx h LYS 524 Ca 0.10 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 1pkx h LYS 524 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1pkx h LYS 524 CO -0.01 1.09 0.13 0.87 -0.57 0.00 0.00 179.45 180.97 1pkx h LYS 525 N 0.42 1.00 -0.70 3.15 1.57 -0.89 -0.12 116.57 121.00 1pkx h LYS 525 Ca 0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1pkx h LYS 525 Cb 1.09 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1pkx h LYS 525 CO 0.11 0.92 0.38 1.05 -0.57 0.00 0.00 179.45 181.34 1pkx h GLU 526 N 0.92 0.98 -0.39 3.15 9.09 -1.13 -1.68 114.58 125.53 1pkx h GLU 526 Ca 0.19 -0.12 -0.09 0.00 0.05 0.00 0.00 59.36 59.40 1pkx h GLU 526 Cb 0.38 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1pkx h GLU 526 CO 0.01 0.74 -0.10 2.35 0.05 0.00 0.00 179.01 182.06 1pkx h TRP 527 N 0.97 0.85 -0.13 2.06 2.91 -0.97 -2.84 115.95 118.80 1pkx h TRP 527 Ca 0.25 -0.18 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1pkx h TRP 527 Cb 0.04 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.48 1pkx h TRP 527 CO -0.00 0.89 0.03 0.28 -1.03 0.00 0.00 178.44 178.61 1pkx h VAL 528 N 0.57 1.07 0.00 2.65 2.07 -0.76 -0.34 116.25 121.51 1pkx h VAL 528 Ca 0.10 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1pkx h VAL 528 Cb 0.62 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1pkx h VAL 528 CO 0.04 0.08 -0.01 -0.08 0.02 0.00 0.00 177.57 177.62 1pkx h GLU 529 N 0.19 0.00 0.00 1.57 4.81 -1.05 -1.71 114.58 118.38 1pkx h GLU 529 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1pkx h GLU 529 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1pkx h GLU 529 CO -0.00 0.01 -0.05 1.63 -0.73 0.00 0.00 179.01 179.87 1pkx n LYS 530 N -3.25 0.13 -2.17 1.92 5.02 -0.14 -4.83 118.16 114.84 1pkx n LYS 530 Ca -0.02 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1pkx n LYS 530 Cb 0.13 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1pkx n LYS 530 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pkx s LEU 531 N -3.74 4.35 0.22 -0.35 2.96 -0.65 -5.01 118.68 116.46 1pkx s LEU 531 Ca 0.12 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1pkx s LEU 531 Cb 0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1pkx s LEU 531 CO 0.58 -0.70 0.05 0.42 -1.32 0.00 0.00 176.35 175.37 1pkx s THR 532 N 1.77 0.63 -1.30 3.68 -4.23 -1.26 -3.76 115.64 111.17 1pkx s THR 532 Ca 0.65 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 1pkx s THR 532 Cb -0.35 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1pkx s THR 532 CO 0.29 -0.24 0.57 -0.62 -0.54 0.00 0.00 174.62 174.08 1pkx n GLU 533 N -0.35 -2.35 -3.94 3.99 1.02 -1.02 -4.95 120.64 113.03 1pkx n GLU 533 Ca -0.03 0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 57.20 1pkx n GLU 533 Cb 0.65 -4.24 -0.04 0.00 -0.02 0.00 0.00 31.44 27.78 1pkx n GLU 533 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pkx s VAL 534 N -3.76 5.26 0.12 2.62 1.01 0.14 -4.80 120.40 120.99 1pkx s VAL 534 Ca 0.20 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1pkx s VAL 534 Cb -0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1pkx s VAL 534 CO 0.89 0.14 -0.15 -0.44 0.00 0.00 0.00 175.10 175.54 1pkx s SER 535 N -2.48 4.05 0.01 3.32 0.01 -0.16 -0.77 113.70 117.68 1pkx s SER 535 Ca 0.34 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1pkx s SER 535 Cb -0.13 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 1pkx s SER 535 CO 0.27 0.17 -0.04 -0.51 0.41 0.00 0.00 173.24 173.54 1pkx s ILE 536 N -1.22 0.23 -0.01 1.44 2.07 -0.58 0.14 121.20 123.28 1pkx s ILE 536 Ca 0.19 -0.48 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1pkx s ILE 536 Cb -0.11 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.21 1pkx s ILE 536 CO 0.12 -0.16 -0.07 -0.55 -1.91 0.00 0.00 174.94 172.37 1pkx s SER 537 N -0.68 0.82 -0.03 4.50 0.15 -0.56 -1.25 113.70 116.66 1pkx s SER 537 Ca -0.05 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1pkx s SER 537 Cb -0.05 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1pkx s SER 537 CO -0.00 0.07 -0.25 -0.55 1.20 0.00 0.00 173.24 173.70 1pkx s SER 538 N -0.03 3.01 0.00 5.45 0.15 -0.81 -1.47 113.70 119.99 1pkx s SER 538 Ca 0.01 -0.48 0.19 0.00 0.70 0.00 0.00 55.95 56.37 1pkx s SER 538 Cb -0.04 -0.51 0.87 0.00 -1.71 0.00 0.00 66.02 64.63 1pkx s SER 538 CO -0.00 0.29 1.60 -0.90 1.20 0.00 0.00 173.24 175.42 1pkx n ASP 539 N 2.63 0.00 -3.85 5.45 3.85 -0.79 -4.35 116.55 119.49 1pkx n ASP 539 Ca -0.16 0.29 -0.09 0.00 -0.71 0.00 0.00 54.79 54.11 1pkx n ASP 539 Cb 0.51 -0.41 -0.07 0.00 -1.35 0.00 0.00 41.12 39.81 1pkx n ASP 539 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pkx s ALA 540 N -2.82 -0.27 0.67 2.12 0.00 -1.26 -0.72 121.76 119.48 1pkx s ALA 540 Ca 0.13 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1pkx s ALA 540 Cb 0.13 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1pkx s ALA 540 CO 0.32 -0.56 0.80 1.97 0.00 0.00 0.00 175.76 178.29 1pkx n PHE 541 N -0.12 0.17 -3.07 0.00 1.16 -1.25 -4.46 117.46 109.89 1pkx n PHE 541 Ca -0.13 0.40 -0.40 0.00 -1.87 0.00 0.00 57.45 55.44 1pkx n PHE 541 Cb 0.63 -2.04 -0.05 0.00 -1.61 0.00 0.00 39.48 36.40 1pkx n PHE 541 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1pkx s PHE 542 N -1.74 3.39 0.05 2.97 0.08 -1.26 -4.98 117.98 116.49 1pkx s PHE 542 Ca 0.72 1.01 -0.27 0.00 0.12 0.00 0.00 56.93 58.51 1pkx s PHE 542 Cb -0.38 -2.85 -0.17 0.00 -0.57 0.00 0.00 43.02 39.06 1pkx s PHE 542 CO 0.51 -0.18 1.53 -1.35 -0.10 0.00 0.00 175.22 175.63 1pkx h PRO 543 N 7.43 -0.38 -5.18 0.24 0.11 -1.98 -3.44 132.00 128.80 1pkx h PRO 543 Ca -0.31 0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.28 1pkx h PRO 543 Cb 1.14 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1pkx h PRO 543 CO 0.79 -0.16 -0.56 -0.06 -0.21 0.00 0.00 178.00 177.79 1pkx s PHE 544 N -5.57 1.92 -1.06 0.65 0.08 -1.26 -4.34 117.98 108.40 1pkx s PHE 544 Ca -0.15 -1.07 0.19 0.00 0.12 0.00 0.00 56.93 56.03 1pkx s PHE 544 Cb 0.04 -1.31 0.86 0.00 -0.57 0.00 0.00 43.02 42.04 1pkx s PHE 544 CO 0.62 -0.06 1.62 2.89 -0.10 0.00 0.00 175.22 180.19 1pkx n ARG 545 N -0.87 0.04 -0.30 0.44 1.85 -1.26 -3.46 116.66 113.10 1pkx n ARG 545 Ca -0.06 0.16 0.06 0.00 -1.00 0.00 0.00 57.85 57.00 1pkx n ARG 545 Cb 0.66 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.84 1pkx n ARG 545 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1pkx h ASP 546 N 0.00 0.86 -0.53 2.89 3.04 -1.99 -0.68 116.42 120.00 1pkx h ASP 546 Ca 0.00 0.02 0.07 0.00 -3.24 0.00 0.00 57.03 53.88 1pkx h ASP 546 Cb 0.31 -0.16 -0.06 0.00 -1.04 0.00 0.00 39.33 38.38 1pkx h ASP 546 CO 0.00 0.52 0.22 0.78 -2.04 0.00 0.00 179.24 178.72 1pkx h ASN 547 N 0.96 0.25 -0.49 4.15 2.35 -1.94 0.22 115.58 121.08 1pkx h ASN 547 Ca 0.41 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 56.17 1pkx h ASN 547 Cb 0.32 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1pkx h ASN 547 CO -0.17 0.17 0.14 0.58 -1.65 0.00 0.00 177.43 176.50 1pkx h VAL 548 N 0.41 1.22 0.36 2.81 2.07 -1.40 -0.95 116.25 120.78 1pkx h VAL 548 Ca 0.25 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1pkx h VAL 548 Cb 0.25 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1pkx h VAL 548 CO -0.23 0.30 -0.17 0.44 0.02 0.00 0.00 177.57 177.92 1pkx h ASP 549 N 0.80 -0.41 -1.00 0.57 3.45 0.07 -2.41 116.42 117.48 1pkx h ASP 549 Ca 0.18 -0.11 0.04 0.00 0.43 0.00 0.00 57.03 57.57 1pkx h ASP 549 Cb 0.28 0.11 -0.06 0.00 -0.56 0.00 0.00 39.33 39.09 1pkx h ASP 549 CO -0.00 -0.12 0.65 -0.09 -1.57 0.00 0.00 179.24 178.11 1pkx h ARG 550 N -0.71 1.21 -0.12 3.56 9.65 -0.50 -2.77 114.38 124.69 1pkx h ARG 550 Ca -0.05 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1pkx h ARG 550 Cb 0.50 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1pkx h ARG 550 CO 0.08 0.80 -0.03 0.00 2.80 0.00 0.00 179.97 183.62 1pkx h ALA 551 N 1.42 0.08 -0.85 2.80 0.00 -1.10 -2.28 119.26 119.33 1pkx h ALA 551 Ca 0.41 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.54 1pkx h ALA 551 Cb 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1pkx h ALA 551 CO -0.14 -0.49 0.56 -0.22 0.00 0.00 0.00 179.25 178.97 1pkx h LYS 552 N -0.01 0.42 0.00 0.00 1.63 -1.14 0.56 116.57 118.03 1pkx h LYS 552 Ca 0.06 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1pkx h LYS 552 Cb 0.10 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pkx h LYS 552 CO -0.13 0.28 0.00 0.54 -3.45 0.00 0.00 179.45 176.69 1pkx n ARG 553 N -4.50 0.60 -2.65 1.90 1.74 -0.86 -2.81 116.66 110.07 1pkx n ARG 553 Ca 0.17 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.18 1pkx n ARG 553 Cb 0.62 -1.24 0.04 0.00 -1.02 0.00 0.00 32.46 30.86 1pkx n ARG 553 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pkx n SER 554 N -0.74 2.24 0.00 0.55 7.64 0.18 -4.88 113.62 118.61 1pkx n SER 554 Ca 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1pkx n SER 554 Cb 0.03 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1pkx n SER 554 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pkx n GLY 555 N -0.47 0.18 3.70 0.23 0.00 -1.12 -4.75 105.19 102.96 1pkx n GLY 555 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1pkx n GLY 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkx s VAL 556 N -1.43 3.54 0.00 1.61 1.01 -1.18 0.24 120.40 124.20 1pkx s VAL 556 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1pkx s VAL 556 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1pkx s VAL 556 CO 0.00 0.03 0.03 0.00 0.00 0.00 0.00 175.10 175.16 1pkx n ALA 557 N 4.82 1.38 -3.26 5.51 0.00 0.05 -4.50 120.51 124.50 1pkx n ALA 557 Ca 0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1pkx n ALA 557 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 1pkx n ALA 557 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1pkx s TYR 558 N -0.61 0.16 -0.01 0.00 1.51 -1.18 -1.60 117.35 115.63 1pkx s TYR 558 Ca 0.00 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1pkx s TYR 558 Cb 0.00 -0.20 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 1pkx s TYR 558 CO 0.00 -0.05 -0.04 0.42 -1.11 0.00 0.00 175.55 174.77 1pkx s ILE 559 N 0.46 0.32 -0.02 2.71 1.01 0.03 -1.52 121.20 124.19 1pkx s ILE 559 Ca -0.04 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1pkx s ILE 559 Cb -0.06 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1pkx s ILE 559 CO -0.01 0.10 -0.16 0.00 0.00 0.00 0.00 174.94 174.88 1pkx s ALA 560 N 0.04 1.34 -0.18 9.38 0.00 -0.38 -0.57 121.76 131.39 1pkx s ALA 560 Ca -0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1pkx s ALA 560 Cb -0.03 -0.38 0.14 0.00 0.00 0.00 0.00 23.12 22.85 1pkx s ALA 560 CO -0.00 0.29 1.10 0.00 0.00 0.00 0.00 175.76 177.15 1pkx s ALA 561 N -0.20 -1.98 0.78 0.00 0.00 -0.95 -1.93 121.76 117.47 1pkx s ALA 561 Ca 0.02 1.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 1pkx s ALA 561 Cb -0.08 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1pkx s ALA 561 CO 0.00 -0.34 1.15 -2.14 0.00 0.00 0.00 175.76 174.43 1pkx s PRO 562 N -1.32 1.98 0.67 0.00 0.02 -1.26 -1.83 135.00 133.26 1pkx s PRO 562 Ca 0.02 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.59 1pkx s PRO 562 Cb -0.01 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.79 1pkx s PRO 562 CO -0.02 -1.90 0.92 -1.54 -0.33 0.00 0.00 177.00 174.13 1pkx s SER 563 N -2.62 4.62 0.00 2.53 1.04 -0.91 -3.84 113.70 114.52 1pkx s SER 563 Ca 0.68 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1pkx s SER 563 Cb -0.23 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1pkx s SER 563 CO 0.50 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1pkx n GLY 564 N -2.59 0.71 3.84 7.32 0.00 -1.26 -4.66 105.19 108.56 1pkx n GLY 564 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1pkx n GLY 564 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pkx s SER 565 N -0.28 6.61 0.42 1.61 0.15 -1.26 -4.94 113.70 116.01 1pkx s SER 565 Ca 0.00 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.42 1pkx s SER 565 Cb 0.00 -2.50 0.79 0.00 -1.71 0.00 0.00 66.02 62.60 1pkx s SER 565 CO 0.00 -0.58 1.77 0.00 1.20 0.00 0.00 173.24 175.63 1pkx h ALA 566 N 0.93 0.98 -0.41 5.45 0.00 -1.93 -2.71 119.26 121.56 1pkx h ALA 566 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1pkx h ALA 566 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pkx h ALA 566 CO 0.62 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.18 1pkx n ALA 567 N -2.22 2.44 -0.33 0.00 0.00 -1.26 -4.50 120.51 114.63 1pkx n ALA 567 Ca 0.00 -0.75 0.25 0.00 0.00 0.00 0.00 53.44 52.94 1pkx n ALA 567 Cb 0.47 -0.97 0.49 0.00 0.00 0.00 0.00 19.45 19.44 1pkx n ALA 567 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pkx h ASP 568 N 2.59 0.47 -0.20 0.00 5.19 -1.77 -0.81 116.42 121.89 1pkx h ASP 568 Ca 0.00 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1pkx h ASP 568 Cb 0.59 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1pkx h ASP 568 CO 0.00 -0.20 0.13 0.11 -3.12 0.00 0.00 179.24 176.16 1pkx h LYS 569 N 0.26 0.27 0.00 3.56 6.56 -1.86 0.18 116.57 125.54 1pkx h LYS 569 Ca 0.76 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 60.23 1pkx h LYS 569 Cb 1.78 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.37 1pkx h LYS 569 CO -0.64 0.21 -0.43 -0.39 -2.06 0.00 0.00 179.45 176.13 1pkx h VAL 570 N 0.26 1.17 -0.10 0.50 -1.51 -1.52 -1.14 116.25 113.91 1pkx h VAL 570 Ca 0.07 -1.56 -0.06 0.00 -1.23 0.00 0.00 66.70 63.92 1pkx h VAL 570 Cb 0.00 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1pkx h VAL 570 CO -0.01 0.43 -0.19 0.58 -1.23 0.00 0.00 177.57 177.15 1pkx h VAL 571 N 0.00 1.39 -0.70 7.19 2.07 -1.11 -0.39 116.25 124.70 1pkx h VAL 571 Ca -0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1pkx h VAL 571 Cb 0.84 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1pkx h VAL 571 CO 0.06 0.42 0.44 0.40 0.02 0.00 0.00 177.57 178.91 1pkx h ILE 572 N -0.13 1.19 -0.31 4.57 2.04 -0.83 -1.99 117.51 122.05 1pkx h ILE 572 Ca 0.01 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 1pkx h ILE 572 Cb 0.76 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1pkx h ILE 572 CO 0.04 0.19 -0.30 -0.33 0.00 0.00 0.00 178.15 177.76 1pkx h GLU 573 N 0.95 0.66 -0.40 2.37 5.08 -1.19 -2.32 114.58 119.73 1pkx h GLU 573 Ca 0.25 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1pkx h GLU 573 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1pkx h GLU 573 CO -0.05 0.88 0.04 0.00 -1.00 0.00 0.00 179.01 178.87 1pkx h ALA 574 N 1.11 1.32 0.05 3.43 0.00 -0.65 0.16 119.26 124.68 1pkx h ALA 574 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pkx h ALA 574 Cb 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pkx h ALA 574 CO 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 1pkx h ASP 576 N -0.52 0.06 0.41 0.00 3.32 -1.03 0.16 116.42 118.82 1pkx h ASP 576 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1pkx h ASP 576 Cb 0.46 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1pkx h ASP 576 CO 0.01 0.03 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.28 1pkx h GLU 577 N 0.06 -0.53 0.00 3.56 4.81 -0.12 -3.27 114.58 119.08 1pkx h GLU 577 Ca 0.37 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1pkx h GLU 577 Cb 1.40 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1pkx h GLU 577 CO -0.03 -0.36 0.00 1.28 -0.73 0.00 0.00 179.01 179.18 1pkx n LEU 578 N -4.77 0.00 -0.70 1.64 4.77 0.31 -4.84 117.00 113.41 1pkx n LEU 578 Ca -0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1pkx n LEU 578 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1pkx n LEU 578 CO 0.17 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.75 1pkx n GLY 579 N 0.31 0.89 3.86 -0.72 0.00 -0.10 -5.02 105.19 104.40 1pkx n GLY 579 Ca 0.09 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1pkx n GLY 579 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 580 N -2.33 5.25 -0.01 -0.61 1.01 -0.33 -5.00 121.20 119.18 1pkx s ILE 580 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 1pkx s ILE 580 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1pkx s ILE 580 CO 0.00 0.58 0.52 -0.63 0.00 0.00 0.00 174.94 175.41 1pkx s ILE 581 N -1.08 4.95 -0.10 2.92 1.01 -0.63 -4.06 121.20 124.21 1pkx s ILE 581 Ca 0.21 1.09 0.02 0.00 0.00 0.00 0.00 60.65 61.97 1pkx s ILE 581 Cb -0.14 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1pkx s ILE 581 CO 0.10 0.47 -0.15 -0.22 0.00 0.00 0.00 174.94 175.14 1pkx s LEU 582 N -0.44 1.72 -0.23 2.97 2.96 -1.26 -0.79 118.68 123.60 1pkx s LEU 582 Ca 0.28 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1pkx s LEU 582 Cb -0.18 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1pkx s LEU 582 CO 0.15 0.03 0.03 0.00 -1.32 0.00 0.00 176.35 175.24 1pkx s ALA 583 N 0.88 3.07 -0.16 5.97 0.00 0.26 -1.12 121.76 130.66 1pkx s ALA 583 Ca -0.09 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 1pkx s ALA 583 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1pkx s ALA 583 CO 0.00 -0.38 0.12 -1.01 0.00 0.00 0.00 175.76 174.50 1pkx s HIS 584 N 1.40 3.47 0.46 0.00 3.76 -0.74 -2.23 115.29 121.41 1pkx s HIS 584 Ca 0.05 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 1pkx s HIS 584 Cb -0.15 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1pkx s HIS 584 CO 0.02 0.49 0.02 0.95 -0.85 0.00 0.00 174.74 175.37 1pkx s THR 585 N -0.34 1.32 -0.21 1.30 -4.23 -0.76 -4.55 115.64 108.17 1pkx s THR 585 Ca 0.11 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1pkx s THR 585 Cb -0.12 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.69 1pkx s THR 585 CO 0.01 0.00 1.23 -3.20 -0.54 0.00 0.00 174.62 172.12 1pkx n ASN 586 N -1.15 1.78 -3.81 3.99 4.05 -1.26 -2.15 115.26 116.71 1pkx n ASN 586 Ca -0.13 -3.87 -0.30 0.00 0.45 0.00 0.00 54.58 50.74 1pkx n ASN 586 Cb 0.67 -0.53 -0.15 0.00 1.23 0.00 0.00 39.78 41.00 1pkx n ASN 586 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1pkx s LEU 587 N -3.22 3.00 0.40 1.20 2.96 -1.26 -5.10 118.68 116.66 1pkx s LEU 587 Ca 0.38 -1.96 -0.23 0.00 -0.22 0.00 0.00 54.13 52.11 1pkx s LEU 587 Cb 0.37 -1.11 -0.10 0.00 0.50 0.00 0.00 46.19 45.85 1pkx s LEU 587 CO -0.06 -0.38 0.96 -0.60 -1.32 0.00 0.00 176.35 174.95 1pkx s ARG 588 N 1.19 4.31 -0.34 1.98 3.52 -1.26 -4.70 118.95 123.64 1pkx s ARG 588 Ca 0.11 1.23 0.11 0.00 -0.13 0.00 0.00 55.73 57.05 1pkx s ARG 588 Cb -0.19 -2.39 0.45 0.00 -1.56 0.00 0.00 34.95 31.26 1pkx s ARG 588 CO -0.16 0.03 1.10 1.28 -0.81 0.00 0.00 175.30 176.74 1pkx n LEU 589 N -0.25 3.63 -4.75 -0.88 4.77 0.10 -5.05 117.00 114.57 1pkx n LEU 589 Ca 0.05 -4.44 -0.36 0.00 -0.03 0.00 0.00 56.01 51.24 1pkx n LEU 589 Cb 0.52 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1pkx n LEU 589 CO 0.40 1.88 0.84 -0.36 -1.33 0.00 0.00 177.39 178.82 1pkx s PHE 590 N -3.52 2.37 -0.14 -1.77 0.08 -1.26 -4.63 117.98 109.10 1pkx s PHE 590 Ca 0.41 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.92 1pkx s PHE 590 Cb 0.40 -3.49 0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1pkx s PHE 590 CO -0.05 -2.26 0.31 -1.58 -0.10 0.00 0.00 175.22 171.54 1pkx s HIS 591 N -1.60 -0.50 0.00 0.36 5.65 -1.26 -5.01 115.29 112.92 1pkx s HIS 591 Ca 0.77 1.08 0.00 0.00 0.25 0.00 0.00 55.06 57.17 1pkx s HIS 591 Cb -0.31 0.10 0.00 0.00 -1.18 0.00 0.00 32.58 31.20 1pkx s HIS 591 CO 0.34 -0.34 0.00 0.72 -0.65 0.00 0.00 174.74 174.80