#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 3.77 0.26 1.61 -0.21 -1.26 -4.81 119.66 119.01 1pkx s GLN 5 Ca 0.00 0.51 -0.07 0.00 0.02 0.00 0.00 55.36 55.82 1pkx s GLN 5 Cb 0.00 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.60 1pkx s GLN 5 CO 0.00 -0.10 0.55 -0.51 -2.12 0.00 0.00 175.29 173.10 1pkx s LEU 6 N -4.01 4.11 -0.13 2.90 1.43 -1.05 -1.90 118.68 120.03 1pkx s LEU 6 Ca 0.52 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1pkx s LEU 6 Cb -0.10 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1pkx s LEU 6 CO 0.33 -0.13 -0.14 0.00 0.23 0.00 0.00 176.35 176.64 1pkx s ALA 7 N -1.94 1.78 -0.19 4.21 0.00 -0.48 -0.73 121.76 124.41 1pkx s ALA 7 Ca 0.46 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1pkx s ALA 7 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1pkx s ALA 7 CO 0.26 -0.28 -0.01 -1.17 0.00 0.00 0.00 175.76 174.56 1pkx s LEU 8 N 1.32 3.26 -0.03 0.00 2.96 0.28 -1.43 118.68 125.05 1pkx s LEU 8 Ca 0.01 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1pkx s LEU 8 Cb -0.14 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1pkx s LEU 8 CO -0.07 0.09 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.45 1pkx s PHE 9 N 0.84 2.41 -0.41 5.38 0.40 -0.66 -0.85 117.98 125.10 1pkx s PHE 9 Ca 0.00 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1pkx s PHE 9 Cb -0.14 -1.54 0.18 0.00 0.51 0.00 0.00 43.02 42.03 1pkx s PHE 9 CO 0.02 -0.02 0.72 0.45 0.70 0.00 0.00 175.22 177.08 1pkx s SER 10 N -0.57 -1.31 0.02 1.36 0.15 -0.23 -4.33 113.70 108.79 1pkx s SER 10 Ca 0.08 -0.80 0.07 0.00 0.70 0.00 0.00 55.95 56.01 1pkx s SER 10 Cb -0.11 1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 65.87 1pkx s SER 10 CO -0.00 -0.13 -0.22 0.68 1.20 0.00 0.00 173.24 174.77 1pkx s VAL 11 N 1.72 1.75 -0.14 4.45 -7.23 -1.26 -3.42 120.40 116.27 1pkx s VAL 11 Ca 0.18 -1.10 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1pkx s VAL 11 Cb -0.02 -1.49 -0.22 0.00 0.56 0.00 0.00 36.38 35.21 1pkx s VAL 11 CO -0.08 0.36 0.64 -1.28 -0.31 0.00 0.00 175.10 174.43 1pkx h SER 12 N 5.20 0.00 -3.53 4.85 0.87 -1.85 -3.43 113.55 115.66 1pkx h SER 12 Ca -0.42 -0.85 -0.62 0.00 -1.23 0.00 0.00 61.79 58.67 1pkx h SER 12 Cb 1.15 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.98 1pkx h SER 12 CO 0.46 0.98 0.25 -0.62 -0.53 0.00 0.00 176.83 177.36 1pkx s ASP 13 N -6.19 6.50 -0.15 6.23 2.15 -1.26 -4.94 116.67 119.01 1pkx s ASP 13 Ca -0.18 0.31 0.14 0.00 0.43 0.00 0.00 52.55 53.25 1pkx s ASP 13 Cb -0.02 -2.36 0.66 0.00 -0.30 0.00 0.00 42.92 40.90 1pkx s ASP 13 CO 0.60 -0.63 1.53 0.29 -0.17 0.00 0.00 175.17 176.80 1pkx n LYS 14 N 6.16 3.87 -1.71 4.34 5.02 -1.26 -4.93 118.16 129.64 1pkx n LYS 14 Ca 0.01 -2.57 -0.43 0.00 -2.02 0.00 0.00 58.31 53.30 1pkx n LYS 14 Cb 0.48 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1pkx n LYS 14 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1pkx n THR 15 N 0.72 0.24 -0.73 -0.18 -1.04 -1.26 -2.16 114.28 109.87 1pkx n THR 15 Ca 0.23 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1pkx n THR 15 Cb 0.93 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 3.42 0.36 0.16 3.41 0.00 -1.26 -4.82 105.19 106.46 1pkx n GLY 16 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.30 -0.31 0.99 5.85 -1.80 -1.70 115.31 118.05 1pkx h LEU 17 Ca 0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1pkx h LEU 17 Cb 0.07 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1pkx h LEU 17 CO 0.00 -0.19 0.13 0.58 -0.34 0.00 0.00 178.44 178.62 1pkx h VAL 18 N -0.28 0.94 -0.68 1.05 2.07 -1.90 0.55 116.25 118.00 1pkx h VAL 18 Ca -0.01 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1pkx h VAL 18 Cb 0.25 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1pkx h VAL 18 CO 0.00 0.05 0.21 -0.08 0.02 0.00 0.00 177.57 177.77 1pkx h GLU 19 N 0.27 1.05 -0.07 1.57 4.81 -1.96 -1.19 114.58 119.08 1pkx h GLU 19 Ca 0.14 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1pkx h GLU 19 Cb 0.09 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1pkx h GLU 19 CO -0.12 0.91 0.02 0.35 -0.73 0.00 0.00 179.01 179.43 1pkx h PHE 20 N 1.01 0.11 -0.63 0.92 3.57 -0.82 -2.01 116.94 119.09 1pkx h PHE 20 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1pkx h PHE 20 Cb 0.30 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1pkx h PHE 20 CO 0.02 0.26 0.38 0.00 -2.23 0.00 0.00 178.31 176.74 1pkx h ALA 21 N 0.84 0.82 -0.70 2.41 0.00 -0.67 -1.82 119.26 120.13 1pkx h ALA 21 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pkx h ALA 21 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pkx h ALA 21 CO -0.00 0.12 0.41 -0.09 0.00 0.00 0.00 179.25 179.69 1pkx h ARG 22 N 0.75 0.95 -0.95 0.00 2.43 -1.17 -1.13 114.38 115.26 1pkx h ARG 22 Ca 0.26 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1pkx h ARG 22 Cb 0.04 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 1pkx h ARG 22 CO -0.11 0.69 0.63 -0.91 -1.51 0.00 0.00 179.97 178.75 1pkx h ASN 23 N 0.95 1.10 -0.21 -3.80 2.35 -0.87 -1.61 115.58 113.49 1pkx h ASN 23 Ca 0.25 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1pkx h ASN 23 Cb -0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1pkx h ASN 23 CO -0.05 0.80 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.30 1pkx h LEU 24 N 1.30 0.63 -0.59 1.61 3.38 -0.69 -2.63 115.31 118.32 1pkx h LEU 24 Ca 0.35 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1pkx h LEU 24 Cb -0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1pkx h LEU 24 CO -0.07 0.81 -0.57 0.71 0.09 0.00 0.00 178.44 179.41 1pkx h THR 25 N 0.57 1.35 0.00 0.22 1.35 -0.75 -2.02 112.91 113.63 1pkx h THR 25 Ca 0.09 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1pkx h THR 25 Cb 0.61 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1pkx h THR 25 CO 0.04 0.56 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1pkx h ALA 26 N 1.08 1.00 -0.01 6.62 0.00 -1.08 -1.17 119.26 125.70 1pkx h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pkx h ALA 26 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pkx h ALA 26 CO 0.10 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.57 1pkx n LEU 27 N -2.99 1.50 0.00 0.00 4.77 -0.99 -4.96 117.00 114.34 1pkx n LEU 27 Ca -0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1pkx n LEU 27 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1pkx n LEU 27 CO 0.25 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1pkx n GLY 28 N 1.22 0.48 3.87 -0.72 0.00 -0.44 -5.08 105.19 104.53 1pkx n GLY 28 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 3.79 -0.07 0.99 1.43 -0.80 -4.51 118.68 119.51 1pkx s LEU 29 Ca 0.00 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.23 1pkx s LEU 29 Cb 0.00 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 1pkx s LEU 29 CO 0.00 -0.44 0.11 0.20 0.23 0.00 0.00 176.35 176.46 1pkx s ASN 30 N -3.22 6.07 -0.10 2.29 -0.87 -0.80 -4.22 114.94 114.09 1pkx s ASN 30 Ca 0.52 0.34 -0.10 0.00 -1.57 0.00 0.00 52.86 52.04 1pkx s ASN 30 Cb -0.10 -1.88 -0.05 0.00 -0.02 0.00 0.00 41.25 39.20 1pkx s ASN 30 CO 0.32 0.35 0.23 -0.76 -2.57 0.00 0.00 177.10 174.68 1pkx s LEU 31 N -1.29 4.37 -0.02 0.60 1.43 -1.26 -1.39 118.68 121.12 1pkx s LEU 31 Ca 0.18 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1pkx s LEU 31 Cb -0.12 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1pkx s LEU 31 CO 0.08 0.32 -0.08 -0.69 0.23 0.00 0.00 176.35 176.21 1pkx s VAL 32 N -0.68 0.71 0.24 -1.59 1.01 -0.51 -1.06 120.40 118.52 1pkx s VAL 32 Ca 0.17 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1pkx s VAL 32 Cb -0.13 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.68 1pkx s VAL 32 CO 0.06 0.22 0.95 0.00 0.00 0.00 0.00 175.10 176.33 1pkx n ALA 33 N 3.26 -2.39 -3.81 5.51 0.00 -0.56 -1.65 120.51 120.87 1pkx n ALA 33 Ca -0.18 -1.07 -0.03 0.00 0.00 0.00 0.00 53.44 52.17 1pkx n ALA 33 Cb 0.55 0.67 0.02 0.00 0.00 0.00 0.00 19.45 20.69 1pkx n ALA 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pkx n SER 34 N -1.35 -2.06 0.00 0.00 3.41 -1.26 -1.95 113.62 110.42 1pkx n SER 34 Ca -0.04 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1pkx n SER 34 Cb 0.57 3.48 0.00 0.00 -0.26 0.00 0.00 64.21 68.00 1pkx n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkx n GLY 35 N -0.52 1.83 0.25 5.00 0.00 -1.26 -1.93 105.19 108.55 1pkx n GLY 35 Ca -0.07 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 0.59 -0.02 0.00 -1.99 -2.61 103.07 99.03 1pkx h GLY 36 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pkx h GLY 36 CO 0.00 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 175.69 1pkx h THR 37 N 0.00 1.27 -0.56 4.70 2.02 -1.79 -1.50 112.91 117.05 1pkx h THR 37 Ca -0.00 -0.94 0.06 0.00 0.77 0.00 0.00 66.41 66.30 1pkx h THR 37 Cb 0.29 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1pkx h THR 37 CO 0.02 0.24 0.27 0.00 0.37 0.00 0.00 175.52 176.42 1pkx h ALA 38 N 0.52 0.73 -0.59 6.16 0.00 -1.21 -1.23 119.26 123.64 1pkx h ALA 38 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pkx h ALA 38 Cb 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pkx h ALA 38 CO 0.01 -0.09 0.30 -0.22 0.00 0.00 0.00 179.25 179.25 1pkx h LYS 39 N 0.51 0.84 -0.82 0.00 3.64 -1.45 -0.12 116.57 119.16 1pkx h LYS 39 Ca 0.26 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1pkx h LYS 39 Cb 0.21 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1pkx h LYS 39 CO -0.20 0.67 0.53 0.00 -2.27 0.00 0.00 179.45 178.17 1pkx h ALA 40 N 1.13 1.08 -0.55 5.00 0.00 -0.74 0.30 119.26 125.48 1pkx h ALA 40 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1pkx h ALA 40 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pkx h ALA 40 CO -0.03 0.37 0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1pkx h LEU 41 N 1.04 0.85 -0.49 0.00 3.38 -0.50 -2.78 115.31 116.81 1pkx h LEU 41 Ca 0.33 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1pkx h LEU 41 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1pkx h LEU 41 CO -0.11 0.88 -0.32 0.03 0.09 0.00 0.00 178.44 179.00 1pkx h ARG 42 N 0.79 0.89 0.00 1.13 3.08 -0.61 -1.96 114.38 117.70 1pkx h ARG 42 Ca 0.17 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1pkx h ARG 42 Cb 0.37 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1pkx h ARG 42 CO 0.01 1.08 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.48 1pkx h ASP 43 N 0.74 0.00 -0.19 7.04 3.32 -0.92 -0.46 116.42 125.95 1pkx h ASP 43 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pkx h ASP 43 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1pkx h ASP 43 CO 0.08 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 1pkx n ALA 44 N -2.18 2.51 -0.87 3.45 0.00 -1.05 -4.93 120.51 117.44 1pkx n ALA 44 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1pkx n ALA 44 Cb 0.23 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.13 0.50 3.91 0.00 0.00 -0.18 -5.06 105.19 105.48 1pkx n GLY 45 Ca 0.16 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 4.31 -0.04 0.99 1.02 -0.76 -5.02 118.68 119.18 1pkx s LEU 46 Ca 0.00 0.44 -0.28 0.00 0.02 0.00 0.00 54.13 54.32 1pkx s LEU 46 Cb 0.00 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 1pkx s LEU 46 CO 0.00 0.12 0.88 0.00 0.02 0.00 0.00 176.35 177.37 1pkx s ALA 47 N -1.57 3.27 -0.15 4.21 0.00 -1.26 -4.23 121.76 122.02 1pkx s ALA 47 Ca 0.38 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 1pkx s ALA 47 Cb -0.13 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1pkx s ALA 47 CO 0.26 -0.26 0.39 0.54 0.00 0.00 0.00 175.76 176.69 1pkx s VAL 48 N 1.13 -0.00 -0.11 0.00 0.11 -1.26 -4.50 120.40 115.76 1pkx s VAL 48 Ca 0.46 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.47 1pkx s VAL 48 Cb -0.19 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1pkx s VAL 48 CO 0.23 0.00 0.09 -0.13 -3.33 0.00 0.00 175.10 171.96 1pkx s ARG 49 N 0.34 3.30 0.59 1.54 0.52 -0.22 -4.96 118.95 120.06 1pkx s ARG 49 Ca -0.01 -0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 54.79 1pkx s ARG 49 Cb -0.03 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1pkx s ARG 49 CO -0.01 0.74 1.13 0.34 0.02 0.00 0.00 175.30 177.51 1pkx s ASP 50 N -0.93 5.45 0.52 0.23 2.15 -1.25 -1.49 116.67 121.35 1pkx s ASP 50 Ca 0.14 2.12 0.16 0.00 0.43 0.00 0.00 52.55 55.40 1pkx s ASP 50 Cb -0.12 -2.57 1.26 0.00 -0.30 0.00 0.00 42.92 41.19 1pkx s ASP 50 CO 0.03 -1.40 2.14 1.62 -0.17 0.00 0.00 175.17 177.40 1pkx h VAL 51 N 0.73 1.00 -0.00 1.11 3.04 -1.75 0.68 116.25 121.06 1pkx h VAL 51 Ca -0.49 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1pkx h VAL 51 Cb 1.26 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1pkx h VAL 51 CO 0.56 0.01 0.12 0.28 -1.01 0.00 0.00 177.57 177.53 1pkx h SER 52 N 0.00 0.00 0.58 3.17 0.02 -1.88 -0.71 113.55 114.72 1pkx h SER 52 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1pkx h SER 52 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1pkx h SER 52 CO 0.00 0.00 -0.61 -0.33 -1.14 0.00 0.00 176.83 174.75 1pkx h GLU 53 N 0.00 0.03 0.16 3.45 4.39 -1.21 0.77 114.58 122.18 1pkx h GLU 53 Ca 0.00 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.33 1pkx h GLU 53 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1pkx h GLU 53 CO -0.00 0.64 -1.75 -0.07 -1.16 0.00 0.00 179.01 176.66 1pkx h LEU 54 N 0.02 0.53 0.08 1.33 3.38 -1.28 -3.38 115.31 115.99 1pkx h LEU 54 Ca -0.01 -0.84 -0.27 0.00 0.09 0.00 0.00 57.88 56.85 1pkx h LEU 54 Cb 1.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1pkx h LEU 54 CO 0.08 1.72 -1.35 0.71 0.09 0.00 0.00 178.44 179.69 1pkx h THR 55 N 0.09 1.34 0.00 0.22 1.35 -1.50 -3.46 112.91 110.95 1pkx h THR 55 Ca -0.34 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.51 1pkx h THR 55 Cb 2.07 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 71.28 1pkx h THR 55 CO 0.16 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 1pkx n GLY 56 N 1.54 1.20 3.77 5.82 0.00 0.26 -4.97 105.19 112.81 1pkx n GLY 56 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.82 3.65 0.53 1.61 5.36 -1.26 -5.04 117.98 120.01 1pkx s PHE 57 Ca 0.00 1.77 -0.19 0.00 -0.96 0.00 0.00 56.93 57.55 1pkx s PHE 57 Cb 0.00 -3.10 -0.06 0.00 -0.34 0.00 0.00 43.02 39.52 1pkx s PHE 57 CO 0.00 -0.14 1.08 -1.25 -1.46 0.00 0.00 175.22 173.44 1pkx s PRO 58 N -1.71 3.52 0.52 10.12 0.04 -1.26 -4.87 135.00 141.37 1pkx s PRO 58 Ca 0.47 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 1pkx s PRO 58 Cb -0.26 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1pkx s PRO 58 CO 0.32 -0.67 1.29 -1.83 0.04 0.00 0.00 177.00 176.15 1pkx s GLU 59 N -3.42 3.34 -0.17 4.56 1.03 -1.26 -5.00 118.70 117.78 1pkx s GLU 59 Ca 0.69 2.07 -0.33 0.00 0.03 0.00 0.00 54.97 57.43 1pkx s GLU 59 Cb -0.19 -2.29 0.14 0.00 -0.80 0.00 0.00 34.13 30.98 1pkx s GLU 59 CO 0.26 -0.98 1.14 0.00 -1.33 0.00 0.00 175.26 174.35 1pkx s MET 60 N -2.85 0.41 -1.57 -4.83 0.23 -1.26 -5.01 119.30 104.42 1pkx s MET 60 Ca 0.69 -0.09 -0.11 0.00 -1.03 0.00 0.00 55.69 55.16 1pkx s MET 60 Cb -0.36 0.19 0.09 0.00 -1.53 0.00 0.00 34.83 33.22 1pkx s MET 60 CO 0.43 -0.17 0.66 1.28 -2.03 0.00 0.00 175.02 175.19 1pkx n LEU 61 N 0.09 -2.00 -2.42 0.18 4.77 -1.26 -0.87 117.00 115.47 1pkx n LEU 61 Ca -0.03 -0.98 -0.19 0.00 -0.03 0.00 0.00 56.01 54.77 1pkx n LEU 61 Cb 0.59 -2.19 -0.01 0.00 -2.33 0.00 0.00 43.42 39.48 1pkx n LEU 61 CO 0.10 0.37 -0.24 0.61 -1.33 0.00 0.00 177.39 176.90 1pkx n GLY 62 N -1.67 -0.50 2.24 -0.72 0.00 -1.26 -1.88 105.19 101.39 1pkx n GLY 62 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.99 0.61 0.12 -0.02 0.00 -0.05 -4.93 105.19 99.94 1pkx n GLY 63 Ca -0.23 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 0.00 1.61 3.08 -1.42 -3.27 114.38 114.37 1pkx h ARG 64 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1pkx h ARG 64 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1pkx h ARG 64 CO 0.28 0.00 -0.06 1.33 -1.07 0.00 0.00 179.97 180.45 1pkx n VAL 65 N -2.33 1.22 0.26 2.04 0.24 -1.26 -4.77 118.33 113.72 1pkx n VAL 65 Ca 0.05 -1.40 0.12 0.00 -2.04 0.00 0.00 64.34 61.06 1pkx n VAL 65 Cb 0.39 0.19 0.69 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.89 -2.63 116.57 121.48 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 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1pkx h LYS 66 CO 0.00 0.13 -0.44 0.25 -2.00 0.00 0.00 179.45 177.40 1pkx n THR 67 N -3.72 0.00 -2.17 0.07 -2.24 -1.26 -4.60 114.28 100.36 1pkx n THR 67 Ca -0.02 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1pkx n THR 67 Cb 0.24 1.21 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.17 7.37 -3.98 3.22 4.77 -0.99 -4.66 117.00 122.56 1pkx n LEU 68 Ca 0.08 -4.78 -0.10 0.00 -0.03 0.00 0.00 56.01 51.17 1pkx n LEU 68 Cb 0.39 -1.42 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 1pkx n LEU 68 CO 0.25 1.74 -0.37 -2.28 -1.33 0.00 0.00 177.39 175.40 1pkx s HIS 69 N -0.44 0.29 0.34 -1.77 2.46 -1.26 -5.04 115.29 109.87 1pkx s HIS 69 Ca 0.47 -0.43 0.09 0.00 0.47 0.00 0.00 55.06 55.66 1pkx s HIS 69 Cb 0.14 -0.20 0.82 0.00 -0.13 0.00 0.00 32.58 33.21 1pkx s HIS 69 CO -0.04 -0.14 1.82 -1.35 -2.47 0.00 0.00 174.74 172.56 1pkx h PRO 70 N 4.90 0.67 -0.50 2.88 0.11 -1.98 -1.40 132.00 136.68 1pkx h PRO 70 Ca -0.31 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1pkx h PRO 70 Cb 1.21 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1pkx h PRO 70 CO 0.43 0.44 0.33 0.00 -0.21 0.00 0.00 178.00 178.99 1pkx h ALA 71 N 1.61 1.83 0.04 -0.75 0.00 -1.94 0.47 119.26 120.53 1pkx h ALA 71 Ca 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1pkx h ALA 71 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pkx h ALA 71 CO -0.28 0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.33 1pkx h VAL 72 N 0.51 0.35 0.00 0.00 2.07 -1.57 -3.07 116.25 114.53 1pkx h VAL 72 Ca 0.21 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1pkx h VAL 72 Cb 0.19 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1pkx h VAL 72 CO -0.05 0.12 -0.36 0.45 0.02 0.00 0.00 177.57 177.74 1pkx h HIS 73 N -1.01 0.00 -0.10 1.57 3.86 -1.37 -1.13 115.15 116.98 1pkx h HIS 73 Ca -0.01 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1pkx h HIS 73 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1pkx h HIS 73 CO 0.05 0.36 -0.78 0.00 0.86 0.00 0.00 177.93 178.42 1pkx h ALA 74 N 1.64 0.45 -0.48 2.45 0.00 -0.23 0.12 119.26 123.22 1pkx h ALA 74 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1pkx h ALA 74 Cb 0.78 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pkx h ALA 74 CO 0.05 0.74 0.26 0.78 0.00 0.00 0.00 179.25 181.07 1pkx h GLY 75 N 0.98 0.70 1.04 0.00 0.00 -1.33 -1.34 103.07 103.12 1pkx h GLY 75 Ca -0.05 -0.30 -0.34 0.00 0.00 0.00 0.00 47.33 46.64 1pkx h GLY 75 CO 0.15 0.29 -1.66 -2.22 0.00 0.00 0.00 176.54 173.09 1pkx h ILE 76 N 0.66 1.04 0.00 2.60 2.04 -1.00 -0.52 117.51 122.33 1pkx h ILE 76 Ca 0.17 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1pkx h ILE 76 Cb 0.03 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1pkx h ILE 76 CO -0.03 0.84 -0.92 0.18 0.00 0.00 0.00 178.15 178.23 1pkx n LEU 77 N -3.59 0.64 -4.68 1.44 4.77 0.41 -4.80 117.00 111.18 1pkx n LEU 77 Ca -0.22 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 1pkx n LEU 77 Cb 1.08 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1pkx n LEU 77 CO 0.53 0.01 0.88 0.00 -1.33 0.00 0.00 177.39 177.48 1pkx n ALA 78 N -1.84 1.07 -2.83 -1.18 0.00 -0.51 -5.00 120.51 110.22 1pkx n ALA 78 Ca 0.02 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 1pkx n ALA 78 Cb 0.44 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1pkx n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkx s ARG 79 N -1.59 2.94 -1.41 0.00 0.52 -1.26 -5.02 118.95 113.13 1pkx s ARG 79 Ca 0.58 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1pkx s ARG 79 Cb -0.60 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 32.36 1pkx s ARG 79 CO 0.60 0.41 2.18 -1.71 0.02 0.00 0.00 175.30 176.79 1pkx n ASN 80 N -1.12 4.73 -4.16 0.23 5.15 -1.26 -4.49 115.26 114.35 1pkx n ASN 80 Ca -0.08 -2.92 -0.13 0.00 -0.60 0.00 0.00 54.58 50.85 1pkx n ASN 80 Cb 0.58 -1.58 -0.11 0.00 -0.53 0.00 0.00 39.78 38.13 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 2.08 0.84 0.16 -1.44 -4.36 -1.26 -5.06 121.20 112.17 1pkx s ILE 81 Ca 0.46 -1.65 -0.22 0.00 -0.26 0.00 0.00 60.65 58.98 1pkx s ILE 81 Cb 0.13 -1.36 0.06 0.00 1.25 0.00 0.00 42.46 42.55 1pkx s ILE 81 CO -0.06 -0.62 1.61 -0.65 0.24 0.00 0.00 174.94 175.46 1pkx h PRO 82 N 3.51 -0.22 -0.73 0.37 0.11 -2.00 -1.73 132.00 131.31 1pkx h PRO 82 Ca -0.37 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.86 1pkx h PRO 82 Cb 1.18 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1pkx h PRO 82 CO 0.55 -0.15 0.36 0.93 -0.21 0.00 0.00 178.00 179.48 1pkx h GLU 83 N -0.23 0.58 -0.38 1.05 3.07 -1.98 -1.88 114.58 114.80 1pkx h GLU 83 Ca 0.17 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 1pkx h GLU 83 Cb 0.51 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1pkx h GLU 83 CO -0.50 0.38 -0.32 -0.44 -1.40 0.00 0.00 179.01 176.73 1pkx h ASP 84 N 0.60 0.94 -0.80 1.42 5.19 -1.72 -2.58 116.42 119.47 1pkx h ASP 84 Ca 0.37 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1pkx h ASP 84 Cb 0.42 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1pkx h ASP 84 CO -0.29 1.20 0.51 0.78 -3.12 0.00 0.00 179.24 178.32 1pkx h ASN 85 N 0.70 0.94 0.31 6.45 2.35 -0.81 -1.28 115.58 124.25 1pkx h ASN 85 Ca 0.07 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 1pkx h ASN 85 Cb 0.90 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1pkx h ASN 85 CO 0.08 0.70 -0.58 0.00 -1.65 0.00 0.00 177.43 175.98 1pkx h ALA 86 N 1.47 0.85 -0.03 -0.83 0.00 -1.29 -1.56 119.26 117.87 1pkx h ALA 86 Ca 0.29 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pkx h ALA 86 Cb -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pkx h ALA 86 CO -0.06 0.71 0.00 -0.44 0.00 0.00 0.00 179.25 179.47 1pkx h ASP 87 N 0.21 0.05 -0.57 0.00 3.32 -0.97 -1.15 116.42 117.31 1pkx h ASP 87 Ca -0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1pkx h ASP 87 Cb 1.08 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1pkx h ASP 87 CO 0.09 0.32 0.24 0.24 -1.72 0.00 0.00 179.24 178.42 1pkx h MET 88 N -0.22 0.89 -0.22 3.56 2.86 -1.20 -1.42 114.93 119.17 1pkx h MET 88 Ca 0.01 -0.14 -0.18 0.00 -2.06 0.00 0.00 59.70 57.33 1pkx h MET 88 Cb 0.30 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1pkx h MET 88 CO 0.00 0.73 -0.59 0.00 1.06 0.00 0.00 176.91 178.10 1pkx h ALA 89 N 1.39 0.53 -0.71 6.32 0.00 -1.25 0.13 119.26 125.68 1pkx h ALA 89 Ca 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1pkx h ALA 89 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1pkx h ALA 89 CO -0.02 0.69 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 1pkx h ARG 90 N 0.55 1.07 -0.00 0.00 2.43 -0.82 -2.54 114.38 115.06 1pkx h ARG 90 Ca -0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1pkx h ARG 90 Cb 1.18 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1pkx h ARG 90 CO 0.12 0.89 -0.40 1.28 -1.51 0.00 0.00 179.97 180.35 1pkx n LEU 91 N -4.28 0.88 -3.03 3.80 4.77 -0.57 -4.96 117.00 113.61 1pkx n LEU 91 Ca 0.06 -0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 55.65 1pkx n LEU 91 Cb 0.20 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1pkx n LEU 91 CO 0.41 0.18 0.18 -0.67 -1.33 0.00 0.00 177.39 176.16 1pkx n ASP 92 N -0.98 -4.81 -4.89 -1.43 4.64 0.23 -5.02 116.55 104.29 1pkx n ASP 92 Ca 0.09 -0.46 -0.35 0.00 -1.38 0.00 0.00 54.79 52.69 1pkx n ASP 92 Cb 0.35 -4.24 -0.05 0.00 -1.04 0.00 0.00 41.12 36.14 1pkx n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1pkx s PHE 93 N -3.27 3.58 0.13 -0.67 0.08 0.15 -5.02 117.98 112.95 1pkx s PHE 93 Ca 0.38 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 1pkx s PHE 93 Cb -0.17 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1pkx s PHE 93 CO 0.60 0.70 0.32 1.21 -0.10 0.00 0.00 175.22 177.94 1pkx s ASN 94 N -1.44 6.41 0.24 1.36 3.84 -1.26 -4.67 114.94 119.41 1pkx s ASN 94 Ca 0.21 0.39 -0.30 0.00 0.21 0.00 0.00 52.86 53.37 1pkx s ASN 94 Cb -0.12 -2.01 -0.09 0.00 -0.55 0.00 0.00 41.25 38.48 1pkx s ASN 94 CO 0.11 0.07 1.00 -0.76 -2.79 0.00 0.00 177.10 174.73 1pkx s LEU 95 N -2.84 4.60 -0.27 3.21 1.43 -1.26 -4.37 118.68 119.18 1pkx s LEU 95 Ca 0.38 2.05 -0.09 0.00 -1.03 0.00 0.00 54.13 55.43 1pkx s LEU 95 Cb -0.12 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1pkx s LEU 95 CO 0.27 0.03 0.13 -0.63 0.23 0.00 0.00 176.35 176.38 1pkx s ILE 96 N -1.04 4.80 -0.10 -0.59 1.01 -0.21 -2.51 121.20 122.57 1pkx s ILE 96 Ca 0.43 -0.05 0.15 0.00 0.00 0.00 0.00 60.65 61.18 1pkx s ILE 96 Cb -0.28 -3.29 -0.23 0.00 0.01 0.00 0.00 42.46 38.67 1pkx s ILE 96 CO 0.35 0.27 0.51 -1.14 0.00 0.00 0.00 174.94 174.93 1pkx n ARG 97 N 4.99 0.65 -4.42 2.79 0.63 0.10 -4.63 116.66 116.77 1pkx n ARG 97 Ca -0.15 0.19 -0.21 0.00 -0.92 0.00 0.00 57.85 56.77 1pkx n ARG 97 Cb 0.51 -1.71 -0.16 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 -2.62 0.83 -0.15 5.15 1.01 -1.16 -1.76 120.40 121.70 1pkx s VAL 98 Ca -0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1pkx s VAL 98 Cb 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1pkx s VAL 98 CO 0.83 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 175.41 1pkx s VAL 99 N 0.26 1.29 -0.27 2.92 1.01 -0.28 -0.55 120.40 124.77 1pkx s VAL 99 Ca -0.04 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1pkx s VAL 99 Cb -0.10 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1pkx s VAL 99 CO 0.01 0.28 0.05 0.00 0.00 0.00 0.00 175.10 175.44 1pkx s ALA 100 N 1.58 3.04 -0.27 5.51 0.00 -0.03 -0.61 121.76 130.98 1pkx s ALA 100 Ca 0.03 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 1pkx s ALA 100 Cb -0.14 -2.05 0.07 0.00 0.00 0.00 0.00 23.12 21.00 1pkx s ALA 100 CO -0.09 -0.74 0.70 0.00 0.00 0.00 0.00 175.76 175.63 1pkx s ASN 102 N 0.75 0.12 0.03 0.00 2.20 -1.22 -3.82 114.94 113.00 1pkx s ASN 102 Ca -0.03 -0.43 0.00 0.00 -0.94 0.00 0.00 52.86 51.46 1pkx s ASN 102 Cb -0.05 0.23 -0.04 0.00 -2.00 0.00 0.00 41.25 39.39 1pkx s ASN 102 CO -0.05 -0.48 0.12 -0.76 -2.94 0.00 0.00 177.10 172.99 1pkx s LEU 103 N -1.94 4.05 0.17 3.54 1.43 -1.26 -2.62 118.68 122.05 1pkx s LEU 103 Ca -0.07 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1pkx s LEU 103 Cb -0.03 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1pkx s LEU 103 CO -0.03 0.23 1.31 -0.47 0.23 0.00 0.00 176.35 177.62 1pkx s TYR 104 N -1.33 3.28 0.13 0.29 5.04 -1.26 -4.88 117.35 118.63 1pkx s TYR 104 Ca 0.28 1.18 -0.32 0.00 -2.44 0.00 0.00 57.07 55.77 1pkx s TYR 104 Cb -0.12 -3.59 -0.12 0.00 0.35 0.00 0.00 41.96 38.48 1pkx s TYR 104 CO 0.19 -1.89 1.78 -2.30 -1.34 0.00 0.00 175.55 171.99 1pkx n PRO 105 N 3.01 2.65 0.01 4.97 -0.02 -1.26 -4.86 135.00 139.50 1pkx n PRO 105 Ca 0.07 0.96 0.02 0.00 -2.02 0.00 0.00 63.50 62.54 1pkx n PRO 105 Cb 0.43 -2.82 0.38 0.00 -0.02 0.00 0.00 33.50 31.46 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 7.79 0.50 -0.50 6.00 3.57 -1.93 -1.97 116.94 130.40 1pkx h PHE 106 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1pkx h PHE 106 Cb 1.23 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1pkx h PHE 106 CO 0.74 0.40 0.31 -0.39 -2.23 0.00 0.00 178.31 177.14 1pkx h VAL 107 N 0.51 1.14 -0.36 1.41 -1.51 -1.96 -1.89 116.25 113.60 1pkx h VAL 107 Ca 0.13 -0.29 -0.14 0.00 -1.23 0.00 0.00 66.70 65.17 1pkx h VAL 107 Cb 0.11 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 29.68 1pkx h VAL 107 CO -0.01 0.14 -0.33 0.11 -1.23 0.00 0.00 177.57 176.25 1pkx h LYS 108 N 0.68 0.81 -0.35 5.19 1.57 -1.74 -2.04 116.57 120.69 1pkx h LYS 108 Ca 0.18 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1pkx h LYS 108 Cb -0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1pkx h LYS 108 CO -0.04 1.02 0.16 1.15 -0.57 0.00 0.00 179.45 181.18 1pkx h THR 109 N 0.68 0.96 0.00 -0.16 2.02 -1.19 -2.18 112.91 113.04 1pkx h THR 109 Ca 0.07 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1pkx h THR 109 Cb 0.88 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1pkx h THR 109 CO 0.08 0.06 -0.05 0.58 0.37 0.00 0.00 175.52 176.56 1pkx h VAL 110 N 0.34 0.15 -0.01 3.16 2.07 -1.23 -2.95 116.25 117.78 1pkx h VAL 110 Ca 0.15 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1pkx h VAL 110 Cb 0.08 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1pkx h VAL 110 CO -0.12 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.22 1pkx n ALA 111 N -2.13 3.16 -1.97 1.67 0.00 -0.78 -4.88 120.51 115.58 1pkx n ALA 111 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1pkx n ALA 111 Cb 0.30 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1pkx n ALA 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pkx s SER 112 N -2.63 6.71 -0.08 0.00 0.15 -1.04 -4.87 113.70 111.94 1pkx s SER 112 Ca 0.21 2.54 -0.38 0.00 0.70 0.00 0.00 55.95 59.02 1pkx s SER 112 Cb 0.19 -2.61 -0.16 0.00 -1.71 0.00 0.00 66.02 61.74 1pkx s SER 112 CO 0.56 -0.69 1.57 -2.65 1.20 0.00 0.00 173.24 173.23 1pkx n PRO 113 N 3.12 1.29 -0.25 5.44 -0.02 -1.26 -2.62 135.00 140.69 1pkx n PRO 113 Ca 0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1pkx n PRO 113 Cb 0.41 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.42 1.97 3.73 -1.23 0.00 -1.26 -5.00 105.19 106.83 1pkx n GLY 114 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1pkx n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkx s VAL 115 N -2.84 2.25 0.69 1.61 -7.23 -1.08 -5.00 120.40 108.80 1pkx s VAL 115 Ca 0.00 0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.32 1pkx s VAL 115 Cb 0.00 -3.13 0.07 0.00 0.56 0.00 0.00 36.38 33.89 1pkx s VAL 115 CO 0.00 0.02 0.97 0.42 -0.31 0.00 0.00 175.10 176.21 1pkx s THR 116 N 0.54 2.33 0.15 5.32 -4.23 -1.26 -4.89 115.64 113.60 1pkx s THR 116 Ca 0.67 -0.39 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1pkx s THR 116 Cb -0.47 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 1pkx s THR 116 CO 0.40 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.86 1pkx h VAL 117 N -0.50 1.07 -0.69 2.29 2.07 -1.99 -0.22 116.25 118.27 1pkx h VAL 117 Ca -0.43 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1pkx h VAL 117 Cb 1.30 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1pkx h VAL 117 CO 0.54 0.08 0.36 -0.08 0.02 0.00 0.00 177.57 178.49 1pkx h GLU 118 N 0.46 0.97 -0.04 1.57 4.81 -1.99 -0.69 114.58 119.67 1pkx h GLU 118 Ca 0.14 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1pkx h GLU 118 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1pkx h GLU 118 CO -0.04 0.73 -0.52 0.93 -0.73 0.00 0.00 179.01 179.37 1pkx h GLU 119 N 0.97 0.11 -0.05 1.92 5.08 -1.80 -1.32 114.58 119.49 1pkx h GLU 119 Ca 0.24 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1pkx h GLU 119 Cb 0.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pkx h GLU 119 CO -0.04 0.61 -0.05 0.00 -1.00 0.00 0.00 179.01 178.53 1pkx h ALA 120 N 1.38 0.08 -0.51 3.43 0.00 -0.46 -3.14 119.26 120.03 1pkx h ALA 120 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pkx h ALA 120 Cb 0.95 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1pkx h ALA 120 CO 0.07 -0.13 0.30 0.28 0.00 0.00 0.00 179.25 179.77 1pkx h VAL 121 N -0.31 1.15 0.00 0.00 2.07 -1.07 -0.94 116.25 117.16 1pkx h VAL 121 Ca 0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pkx h VAL 121 Cb 0.54 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1pkx h VAL 121 CO 0.01 0.16 -0.04 -0.08 0.02 0.00 0.00 177.57 177.64 1pkx h GLU 122 N 0.71 0.00 -0.38 1.57 4.57 -1.19 -2.13 114.58 117.72 1pkx h GLU 122 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1pkx h GLU 122 Cb -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1pkx h GLU 122 CO -0.03 0.04 0.00 1.04 -1.18 0.00 0.00 179.01 178.88 1pkx n GLN 123 N -3.52 2.22 -1.86 1.92 6.02 -0.36 -4.94 117.38 116.87 1pkx n GLN 123 Ca -0.02 -1.86 -0.42 0.00 -0.01 0.00 0.00 57.00 54.69 1pkx n GLN 123 Cb 0.15 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.51 2.60 -0.01 5.09 1.01 -0.81 -4.94 121.20 122.64 1pkx s ILE 124 Ca 0.36 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 1pkx s ILE 124 Cb 0.20 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1pkx s ILE 124 CO 0.28 0.01 1.18 -0.62 0.00 0.00 0.00 174.94 175.79 1pkx s ASP 125 N 1.73 7.09 -0.10 3.58 -1.08 -1.26 -4.92 116.67 121.72 1pkx s ASP 125 Ca 0.74 1.87 -0.09 0.00 -0.52 0.00 0.00 52.55 54.55 1pkx s ASP 125 Cb -0.44 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.40 1pkx s ASP 125 CO 0.32 -0.51 -0.19 -0.38 0.52 0.00 0.00 175.17 174.93 1pkx n ILE 126 N 4.28 1.12 -0.15 4.11 2.08 -1.26 -4.59 119.36 124.96 1pkx n ILE 126 Ca 0.10 0.04 -0.08 0.00 0.56 0.00 0.00 62.75 63.36 1pkx n ILE 126 Cb 0.47 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 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 -0.54 0.70 1.01 7.39 0.00 -1.91 -2.80 103.07 106.92 1pkx h GLY 127 Ca -0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1pkx h GLY 127 CO -0.11 0.34 0.25 -1.33 0.00 0.00 0.00 176.54 175.69 1pkx h GLY 128 N 0.58 1.03 0.78 4.60 0.00 -1.97 -2.11 103.07 105.98 1pkx h GLY 128 Ca 0.15 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1pkx h GLY 128 CO -0.02 0.53 0.25 -2.08 0.00 0.00 0.00 176.54 175.22 1pkx h VAL 129 N 0.90 0.98 -0.84 4.60 2.07 -1.79 -2.12 116.25 120.04 1pkx h VAL 129 Ca 0.21 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1pkx h VAL 129 Cb 0.21 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1pkx h VAL 129 CO -0.02 0.09 0.50 0.74 0.02 0.00 0.00 177.57 178.91 1pkx h THR 130 N 0.49 1.23 -0.08 2.57 2.02 -1.20 -0.99 112.91 116.95 1pkx h THR 130 Ca 0.20 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1pkx h THR 130 Cb 0.10 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1pkx h THR 130 CO -0.13 0.25 0.04 -0.07 0.37 0.00 0.00 175.52 175.97 1pkx h LEU 131 N 1.16 0.09 0.01 2.58 3.38 -0.88 -1.27 115.31 120.39 1pkx h LEU 131 Ca 0.30 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pkx h LEU 131 Cb -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pkx h LEU 131 CO -0.06 0.15 -0.00 -0.07 0.09 0.00 0.00 178.44 178.55 1pkx h LEU 132 N 0.03 -0.01 -0.50 1.67 3.38 -1.03 -1.34 115.31 117.52 1pkx h LEU 132 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pkx h LEU 132 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1pkx h LEU 132 CO -0.00 -0.00 0.29 0.03 0.09 0.00 0.00 178.44 178.84 1pkx h ARG 133 N -0.01 0.69 -0.13 1.13 3.08 -1.14 0.33 114.38 118.33 1pkx h ARG 133 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1pkx h ARG 133 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1pkx h ARG 133 CO 0.00 0.53 0.05 0.00 -1.07 0.00 0.00 179.97 179.48 1pkx h ALA 134 N 1.13 0.17 -0.51 0.04 0.00 -1.15 -0.09 119.26 118.86 1pkx h ALA 134 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pkx h ALA 134 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pkx h ALA 134 CO -0.03 -0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.28 1pkx h ALA 135 N 0.89 0.65 -0.59 0.00 0.00 -1.12 -1.96 119.26 117.13 1pkx h ALA 135 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pkx h ALA 135 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1pkx h ALA 135 CO -0.00 0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.68 1pkx h ALA 136 N 1.13 0.76 -1.00 0.00 0.00 -0.81 -2.60 119.26 116.75 1pkx h ALA 136 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pkx h ALA 136 Cb 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1pkx h ALA 136 CO -0.03 0.32 0.66 -0.22 0.00 0.00 0.00 179.25 179.98 1pkx h LYS 137 N 0.80 1.28 -1.09 0.00 3.64 -0.69 -2.40 116.57 118.11 1pkx h LYS 137 Ca 0.20 -0.08 -0.44 0.00 -1.27 0.00 0.00 60.65 59.07 1pkx h LYS 137 Cb 0.12 -0.29 -0.23 0.00 -0.41 0.00 0.00 32.23 31.42 1pkx h LYS 137 CO -0.03 0.85 0.56 -1.71 -2.27 0.00 0.00 179.45 176.85 1pkx n ASN 138 N -4.40 4.84 0.06 4.20 5.15 -0.76 -4.60 115.26 119.75 1pkx n ASN 138 Ca 0.13 -3.31 0.04 0.00 -0.60 0.00 0.00 54.58 50.84 1pkx n ASN 138 Cb 0.04 -0.85 0.23 0.00 -0.53 0.00 0.00 39.78 38.67 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 -0.61 0.28 0.22 1.20 1.44 -0.91 -1.09 115.22 115.75 1pkx n HIS 139 Ca 0.46 0.14 0.11 0.00 -2.01 0.00 0.00 57.72 56.42 1pkx n HIS 139 Cb 1.12 -0.73 0.66 0.00 0.12 0.00 0.00 29.99 31.17 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 2.02 2.06 0.00 1.59 0.00 -1.87 -3.35 119.26 119.71 1pkx h ALA 140 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pkx h ALA 140 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pkx h ALA 140 CO 0.00 -0.11 -0.87 -2.13 0.00 0.00 0.00 179.25 176.13 1pkx n ARG 141 N -4.47 0.10 -3.25 0.00 0.63 -0.47 -4.98 116.66 104.22 1pkx n ARG 141 Ca -0.01 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1pkx n ARG 141 Cb 0.18 -0.94 -0.06 0.00 0.45 0.00 0.00 32.46 32.10 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 -1.87 4.88 -0.29 5.15 1.01 -0.25 -4.97 120.40 124.05 1pkx s VAL 142 Ca 0.00 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 1pkx s VAL 142 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1pkx s VAL 142 CO 0.00 0.46 0.41 -0.89 0.00 0.00 0.00 175.10 175.08 1pkx s THR 143 N -0.48 5.13 -0.14 3.92 2.01 -0.72 -4.25 115.64 121.12 1pkx s THR 143 Ca 0.30 0.48 -0.00 0.00 0.31 0.00 0.00 61.69 62.78 1pkx s THR 143 Cb -0.18 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1pkx s THR 143 CO 0.17 0.05 -0.13 0.54 -0.69 0.00 0.00 174.62 174.56 1pkx s VAL 144 N 2.14 2.98 -0.22 3.82 0.11 -1.26 -1.13 120.40 126.85 1pkx s VAL 144 Ca 0.16 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1pkx s VAL 144 Cb -0.16 -2.26 0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1pkx s VAL 144 CO 0.11 0.52 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.60 1pkx s VAL 145 N 0.47 1.75 -0.90 2.04 1.01 0.22 -4.66 120.40 120.33 1pkx s VAL 145 Ca -0.10 -1.17 0.11 0.00 0.00 0.00 0.00 61.98 60.83 1pkx s VAL 145 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1pkx s VAL 145 CO 0.04 0.10 0.62 0.00 0.00 0.00 0.00 175.10 175.87 1pkx s GLU 147 N -1.64 2.09 0.49 0.00 0.41 -1.26 -4.62 118.70 114.18 1pkx s GLU 147 Ca 0.08 -1.42 0.31 0.00 -0.41 0.00 0.00 54.97 53.53 1pkx s GLU 147 Cb 0.09 -2.93 1.41 0.00 -1.78 0.00 0.00 34.13 30.92 1pkx s GLU 147 CO 0.33 -0.63 1.79 -1.35 -0.49 0.00 0.00 175.26 174.91 1pkx h PRO 148 N 7.75 0.12 -0.05 0.39 0.11 -1.90 0.30 132.00 138.73 1pkx h PRO 148 Ca -0.17 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1pkx h PRO 148 Cb 1.04 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pkx h PRO 148 CO 0.47 0.08 0.06 0.93 -0.21 0.00 0.00 178.00 179.32 1pkx h GLU 149 N 0.13 0.00 0.00 1.05 5.08 -1.94 -1.79 114.58 117.11 1pkx h GLU 149 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1pkx h GLU 149 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1pkx h GLU 149 CO -0.12 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.64 1pkx n ASP 150 N -3.85 0.00 -0.23 1.42 8.00 0.11 -3.93 116.55 118.07 1pkx n ASP 150 Ca -0.02 0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 1pkx n ASP 150 Cb 0.15 -0.40 0.06 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.00 0.80 -0.42 1.24 0.05 -1.45 -2.10 116.97 115.09 1pkx h TYR 151 Ca 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1pkx h TYR 151 Cb 0.40 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1pkx h TYR 151 CO 0.00 0.49 0.23 0.28 -1.05 0.00 0.00 178.16 178.11 1pkx h VAL 152 N 0.86 1.15 -0.65 -2.88 2.07 -1.78 -0.31 116.25 114.71 1pkx h VAL 152 Ca 0.25 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1pkx h VAL 152 Cb -0.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1pkx h VAL 152 CO -0.07 0.16 0.17 0.58 0.02 0.00 0.00 177.57 178.43 1pkx h VAL 153 N 0.54 1.25 -0.43 2.57 2.07 -1.73 -0.65 116.25 119.87 1pkx h VAL 153 Ca 0.15 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1pkx h VAL 153 Cb 0.05 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1pkx h VAL 153 CO -0.02 0.35 0.03 0.58 0.02 0.00 0.00 177.57 178.52 1pkx h VAL 154 N 0.95 1.25 -0.00 2.57 2.07 -1.25 -2.08 116.25 119.76 1pkx h VAL 154 Ca 0.20 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pkx h VAL 154 Cb 0.34 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1pkx h VAL 154 CO -0.00 0.33 -0.00 0.28 0.02 0.00 0.00 177.57 178.20 1pkx h SER 155 N 0.58 -0.01 -0.46 0.57 0.02 -0.78 -0.90 113.55 112.58 1pkx h SER 155 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1pkx h SER 155 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1pkx h SER 155 CO 0.02 -0.00 0.29 0.74 -1.14 0.00 0.00 176.83 176.73 1pkx h THR 156 N -0.00 1.14 -0.55 -2.27 2.02 -1.08 -1.67 112.91 110.50 1pkx h THR 156 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1pkx h THR 156 Cb 0.01 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1pkx h THR 156 CO -0.01 0.14 0.30 -0.08 0.37 0.00 0.00 175.52 176.24 1pkx h GLU 157 N 0.62 0.77 -0.07 6.66 4.81 -1.20 -1.37 114.58 124.80 1pkx h GLU 157 Ca 0.17 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1pkx h GLU 157 Cb -0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1pkx h GLU 157 CO -0.03 0.60 -0.31 0.52 -0.73 0.00 0.00 179.01 179.06 1pkx h MET 158 N 0.74 0.13 -0.01 1.92 2.86 -0.84 -1.73 114.93 117.99 1pkx h MET 158 Ca 0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1pkx h MET 158 Cb 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1pkx h MET 158 CO -0.03 0.43 -0.03 0.00 1.06 0.00 0.00 176.91 178.34 1pkx n GLN 159 N -4.14 1.30 0.14 1.72 10.64 -0.66 -3.84 117.38 122.54 1pkx n GLN 159 Ca -0.01 -0.56 0.12 0.00 -1.83 0.00 0.00 57.00 54.72 1pkx n GLN 159 Cb 0.38 -1.49 0.06 0.00 -0.86 0.00 0.00 30.24 28.33 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 1.35 0.00 -4.95 2.61 4.64 -0.29 -3.48 113.55 113.43 1pkx h SER 160 Ca 0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1pkx h SER 160 Cb 0.33 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.27 1pkx h SER 160 CO 0.00 0.00 -0.66 -0.94 -0.87 0.00 0.00 176.83 174.36 1pkx s SER 161 N -5.56 0.78 0.12 4.97 1.04 -1.25 -5.01 113.70 108.78 1pkx s SER 161 Ca 0.02 -1.14 0.13 0.00 0.48 0.00 0.00 55.95 55.44 1pkx s SER 161 Cb 0.08 0.19 0.60 0.00 0.10 0.00 0.00 66.02 66.99 1pkx s SER 161 CO 0.75 -0.62 1.39 -1.84 0.98 0.00 0.00 173.24 173.91 1pkx n GLU 162 N -0.11 0.07 0.23 4.02 0.28 -1.26 -0.93 120.64 122.93 1pkx n GLU 162 Ca -0.08 0.45 0.12 0.00 -0.16 0.00 0.00 57.16 57.49 1pkx n GLU 162 Cb 0.63 -1.67 0.48 0.00 1.43 0.00 0.00 31.44 32.30 1pkx n GLU 162 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1pkx h SER 163 N 0.00 0.00 -6.63 -1.84 4.64 -1.95 -3.46 113.55 104.31 1pkx h SER 163 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1pkx h SER 163 Cb 0.13 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.08 1pkx h SER 163 CO 0.00 0.17 -0.84 0.29 -0.87 0.00 0.00 176.83 175.57 1pkx n LYS 164 N -3.29 -3.46 -4.05 4.77 5.02 -0.11 -4.93 118.16 112.11 1pkx n LYS 164 Ca 0.01 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.60 1pkx n LYS 164 Cb 0.42 -4.96 -0.07 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.62 0.03 0.82 4.39 3.68 -1.25 -4.90 116.67 115.81 1pkx s ASP 165 Ca 0.51 -1.05 -0.12 0.00 2.13 0.00 0.00 52.55 54.02 1pkx s ASP 165 Cb -0.27 0.47 0.10 0.00 -1.45 0.00 0.00 42.92 41.77 1pkx s ASP 165 CO 0.91 -0.97 1.17 0.42 0.13 0.00 0.00 175.17 176.83 1pkx s THR 166 N -4.05 2.05 0.40 1.71 -4.23 -1.26 -3.98 115.64 106.28 1pkx s THR 166 Ca 0.26 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1pkx s THR 166 Cb 0.03 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 1pkx s THR 166 CO 0.07 0.00 0.63 -0.94 -0.54 0.00 0.00 174.62 173.84 1pkx s SER 167 N -4.64 6.14 0.25 3.99 1.04 -1.26 -4.97 113.70 114.26 1pkx s SER 167 Ca 0.64 0.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 1pkx s SER 167 Cb -0.09 -1.91 0.30 0.00 0.10 0.00 0.00 66.02 64.42 1pkx s SER 167 CO 0.49 -0.47 1.79 0.25 0.98 0.00 0.00 173.24 176.28 1pkx h LEU 168 N 0.55 0.88 -0.93 2.42 5.85 -1.93 -1.77 115.31 120.39 1pkx h LEU 168 Ca -0.48 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1pkx h LEU 168 Cb 1.23 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1pkx h LEU 168 CO 0.60 0.85 0.49 -0.08 -0.34 0.00 0.00 178.44 179.97 1pkx h GLU 169 N 0.90 1.25 -0.50 1.25 4.57 -1.97 -0.78 114.58 119.31 1pkx h GLU 169 Ca 0.20 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1pkx h GLU 169 Cb 0.31 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1pkx h GLU 169 CO -0.00 0.91 0.01 1.15 -1.18 0.00 0.00 179.01 179.90 1pkx h THR 170 N 1.26 1.26 -0.34 0.32 2.02 -1.79 -2.74 112.91 112.90 1pkx h THR 170 Ca 0.32 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1pkx h THR 170 Cb 0.02 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1pkx h THR 170 CO -0.05 0.37 0.06 0.03 0.37 0.00 0.00 175.52 176.30 1pkx h ARG 171 N 0.74 0.50 -0.49 6.66 3.08 -0.74 -0.72 114.38 123.40 1pkx h ARG 171 Ca 0.14 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1pkx h ARG 171 Cb 0.50 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1pkx h ARG 171 CO 0.02 0.48 0.12 0.00 -1.07 0.00 0.00 179.97 179.53 1pkx h ARG 172 N 0.49 0.79 -0.25 0.04 3.08 -0.96 -0.34 114.38 117.23 1pkx h ARG 172 Ca 0.11 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1pkx h ARG 172 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1pkx h ARG 172 CO -0.00 0.76 -0.31 1.96 -1.07 0.00 0.00 179.97 181.32 1pkx h GLN 173 N 0.68 0.51 -0.40 0.04 1.08 -1.17 -1.97 115.11 113.88 1pkx h GLN 173 Ca 0.16 -0.22 -0.12 0.00 -1.45 0.00 0.00 58.65 57.02 1pkx h GLN 173 Cb 0.33 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1pkx h GLN 173 CO 0.00 0.76 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.37 1pkx h LEU 174 N 0.44 0.88 -0.85 1.46 3.38 -0.90 -2.42 115.31 117.29 1pkx h LEU 174 Ca 0.06 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1pkx h LEU 174 Cb 0.75 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1pkx h LEU 174 CO 0.06 1.09 0.22 0.00 0.09 0.00 0.00 178.44 179.90 1pkx h ALA 175 N 0.82 1.07 -0.66 1.53 0.00 -0.90 -1.29 119.26 119.82 1pkx h ALA 175 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1pkx h ALA 175 Cb 0.76 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1pkx h ALA 175 CO 0.06 0.63 0.39 1.25 0.00 0.00 0.00 179.25 181.58 1pkx h LEU 176 N 1.03 0.81 -0.61 0.00 5.85 -1.25 -1.56 115.31 119.57 1pkx h LEU 176 Ca 0.23 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1pkx h LEU 176 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1pkx h LEU 176 CO -0.01 0.64 0.34 0.11 -0.34 0.00 0.00 178.44 179.19 1pkx h LYS 177 N 0.90 0.85 -0.35 1.25 1.57 -0.97 -1.60 116.57 118.22 1pkx h LYS 177 Ca 0.24 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1pkx h LYS 177 Cb -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1pkx h LYS 177 CO -0.04 0.64 0.02 0.00 -0.57 0.00 0.00 179.45 179.51 1pkx h ALA 178 N 1.16 0.47 -0.04 3.86 0.00 -0.84 -0.59 119.26 123.29 1pkx h ALA 178 Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1pkx h ALA 178 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pkx h ALA 178 CO -0.04 0.21 -0.37 0.74 0.00 0.00 0.00 179.25 179.80 1pkx h PHE 179 N 0.43 0.08 -0.25 0.00 0.04 -1.23 -0.71 116.94 115.30 1pkx h PHE 179 Ca 0.10 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 1pkx h PHE 179 Cb 0.41 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1pkx h PHE 179 CO 0.03 0.44 -0.42 1.15 -0.60 0.00 0.00 178.31 178.91 1pkx h THR 180 N 0.06 1.30 -0.16 -1.55 2.02 -1.06 -0.46 112.91 113.06 1pkx h THR 180 Ca 0.01 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 1pkx h THR 180 Cb 0.69 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1pkx h THR 180 CO 0.05 0.51 -0.00 -0.74 0.37 0.00 0.00 175.52 175.71 1pkx h HIS 181 N 0.50 0.31 -0.09 3.16 -0.00 -0.46 -1.56 115.15 117.00 1pkx h HIS 181 Ca 0.04 -0.05 -0.17 0.00 -0.00 0.00 0.00 60.37 60.18 1pkx h HIS 181 Cb 0.94 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1pkx h HIS 181 CO 0.04 0.50 -0.68 1.79 -0.00 0.00 0.00 177.93 179.58 1pkx h THR 182 N 0.02 1.37 -0.67 6.26 1.35 -1.15 -1.85 112.91 118.26 1pkx h THR 182 Ca 0.04 -2.06 0.01 0.00 -0.55 0.00 0.00 66.41 63.86 1pkx h THR 182 Cb 0.38 2.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 1pkx h THR 182 CO 0.01 0.62 0.43 0.00 -0.25 0.00 0.00 175.52 176.33 1pkx h ALA 183 N 0.98 0.85 -0.22 6.62 0.00 -1.01 -1.83 119.26 124.64 1pkx h ALA 183 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1pkx h ALA 183 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1pkx h ALA 183 CO 0.12 0.24 -0.28 1.96 0.00 0.00 0.00 179.25 181.29 1pkx h GLN 184 N 0.88 0.44 -0.19 0.00 4.20 -1.14 -1.49 115.11 117.80 1pkx h GLN 184 Ca 0.25 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1pkx h GLN 184 Cb -0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1pkx h GLN 184 CO -0.07 0.69 0.05 -0.92 -0.67 0.00 0.00 178.83 177.90 1pkx h TYR 185 N 0.39 0.32 0.00 2.96 3.20 -0.77 -2.34 116.97 120.72 1pkx h TYR 185 Ca 0.05 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1pkx h TYR 185 Cb 0.70 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1pkx h TYR 185 CO 0.02 0.42 -0.40 -0.44 -1.64 0.00 0.00 178.16 176.13 1pkx h ASP 186 N 0.12 0.00 -0.58 -2.11 5.19 -1.22 -1.75 116.42 116.06 1pkx h ASP 186 Ca 0.06 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1pkx h ASP 186 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1pkx h ASP 186 CO 0.00 0.40 0.06 -0.08 -3.12 0.00 0.00 179.24 176.50 1pkx h GLU 187 N 0.00 0.99 -0.31 3.56 4.22 -1.14 0.51 114.58 122.41 1pkx h GLU 187 Ca -0.00 -0.28 -0.11 0.00 0.08 0.00 0.00 59.36 59.04 1pkx h GLU 187 Cb 0.89 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1pkx h GLU 187 CO 0.05 0.95 -0.28 0.00 -2.18 0.00 0.00 179.01 177.55 1pkx h ALA 188 N 1.00 0.93 0.09 2.92 0.00 -1.14 -1.99 119.26 121.07 1pkx h ALA 188 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pkx h ALA 188 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pkx h ALA 188 CO 0.02 0.61 -0.04 0.82 0.00 0.00 0.00 179.25 180.66 1pkx h ILE 189 N 0.54 1.14 -0.35 0.00 2.04 -0.89 -2.35 117.51 117.63 1pkx h ILE 189 Ca 0.07 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1pkx h ILE 189 Cb 0.76 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1pkx h ILE 189 CO 0.06 0.22 0.19 0.77 0.00 0.00 0.00 178.15 179.38 1pkx h SER 190 N -0.53 0.42 -0.66 1.72 4.64 -0.92 -0.39 113.55 117.83 1pkx h SER 190 Ca -0.01 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1pkx h SER 190 Cb 0.45 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1pkx h SER 190 CO 0.02 0.35 0.10 -0.78 -0.87 0.00 0.00 176.83 175.65 1pkx h ASP 191 N 0.49 1.06 -0.30 4.97 3.58 -1.32 -0.05 116.42 124.84 1pkx h ASP 191 Ca 0.13 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 1pkx h ASP 191 Cb 0.03 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1pkx h ASP 191 CO -0.02 1.05 0.09 0.22 -2.88 0.00 0.00 179.24 177.70 1pkx h TYR 192 N 1.03 0.50 -0.64 0.28 3.20 -0.79 -1.72 116.97 118.82 1pkx h TYR 192 Ca 0.20 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1pkx h TYR 192 Cb 0.45 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1pkx h TYR 192 CO 0.03 0.52 0.29 0.74 -1.64 0.00 0.00 178.16 178.11 1pkx h PHE 193 N 0.33 0.91 -0.29 -3.82 -1.00 -0.77 -0.11 116.94 112.19 1pkx h PHE 193 Ca 0.10 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1pkx h PHE 193 Cb 0.26 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1pkx h PHE 193 CO 0.01 0.67 0.12 0.00 -1.61 0.00 0.00 178.31 177.50 1pkx h ARG 194 N 0.91 0.43 -0.23 1.51 3.08 -0.72 0.38 114.38 119.73 1pkx h ARG 194 Ca 0.22 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1pkx h ARG 194 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1pkx h ARG 194 CO -0.03 0.43 -0.26 0.87 -1.07 0.00 0.00 179.97 179.92 1pkx h LYS 195 N 0.32 0.45 0.05 0.04 1.57 -0.84 0.76 116.57 118.93 1pkx h LYS 195 Ca 0.10 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 1pkx h LYS 195 Cb 0.16 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1pkx h LYS 195 CO -0.01 0.67 -1.74 1.96 -0.57 0.00 0.00 179.45 179.76 1pkx h GLN 196 N 0.40 0.11 -0.00 3.15 1.08 -0.95 -3.38 115.11 115.52 1pkx h GLN 196 Ca 0.06 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1pkx h GLN 196 Cb 0.66 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1pkx h GLN 196 CO 0.05 0.82 -0.25 0.66 -0.95 0.00 0.00 178.83 179.15 1pkx n TYR 197 N -3.24 0.00 -2.19 2.96 4.01 0.12 -4.72 117.16 114.09 1pkx n TYR 197 Ca -0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.58 1pkx n TYR 197 Cb 1.05 0.00 0.09 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 -0.86 1.31 -4.70 7.72 2.88 0.24 -5.02 113.62 115.19 1pkx n SER 198 Ca 0.02 -2.69 -0.42 0.00 -1.33 0.00 0.00 58.87 54.45 1pkx n SER 198 Cb 0.12 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.25 4.18 0.00 -1.46 2.20 -1.09 -1.27 119.74 121.04 1pkx s LYS 199 Ca 0.35 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1pkx s LYS 199 Cb 0.38 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1pkx s LYS 199 CO -0.13 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1pkx n GLY 200 N 3.99 1.60 0.50 5.54 0.00 0.11 -4.86 105.19 112.08 1pkx n GLY 200 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.15 0.36 1.61 0.31 -0.40 -4.83 118.33 113.54 1pkx n VAL 201 Ca 0.00 0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.65 1pkx n VAL 201 Cb 0.00 -1.33 0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.66 2.36 -3.89 4.52 3.41 -0.99 -1.01 113.62 115.36 1pkx n SER 202 Ca -0.01 -1.66 -0.11 0.00 -0.26 0.00 0.00 58.87 56.83 1pkx n SER 202 Cb 0.03 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.08 0.26 -0.15 4.33 -0.44 -1.14 -1.56 119.66 119.88 1pkx s GLN 203 Ca 0.19 -0.22 -0.04 0.00 -2.50 0.00 0.00 55.36 52.79 1pkx s GLN 203 Cb 0.12 0.10 0.07 0.00 -1.64 0.00 0.00 33.01 31.66 1pkx s GLN 203 CO 0.17 -0.05 0.19 1.41 0.50 0.00 0.00 175.29 177.51 1pkx s MET 204 N -0.74 0.12 0.44 1.67 1.75 0.84 0.09 119.30 123.47 1pkx s MET 204 Ca -0.08 0.36 -0.24 0.00 -1.25 0.00 0.00 55.69 54.47 1pkx s MET 204 Cb -0.05 -0.82 -0.08 0.00 2.84 0.00 0.00 34.83 36.72 1pkx s MET 204 CO 0.00 -0.50 1.25 -2.14 -0.65 0.00 0.00 175.02 172.99 1pkx s PRO 205 N 2.30 3.80 0.09 4.11 0.02 -1.26 -0.92 135.00 143.15 1pkx s PRO 205 Ca 0.04 2.01 0.10 0.00 0.02 0.00 0.00 61.00 63.18 1pkx s PRO 205 Cb -0.14 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1pkx s PRO 205 CO -0.09 -0.58 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.24 1pkx s LEU 206 N -2.76 2.37 0.27 -5.54 1.43 -0.45 -4.86 118.68 109.15 1pkx s LEU 206 Ca 0.61 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1pkx s LEU 206 Cb -0.35 -1.33 0.48 0.00 0.03 0.00 0.00 46.19 45.03 1pkx s LEU 206 CO 0.43 0.21 1.85 0.08 0.23 0.00 0.00 176.35 179.16 1pkx h ARG 207 N 4.23 1.00 -2.25 1.70 0.11 -1.85 -3.37 114.38 113.95 1pkx h ARG 207 Ca -0.49 -0.06 0.20 0.00 0.10 0.00 0.00 59.98 59.73 1pkx h ARG 207 Cb 1.16 -0.23 -0.07 0.00 1.11 0.00 0.00 29.97 31.94 1pkx h ARG 207 CO 0.43 0.66 0.59 1.52 0.10 0.00 0.00 179.97 183.27 1pkx s TYR 208 N -5.99 -0.04 0.00 4.08 -0.85 -1.26 -4.85 117.35 108.43 1pkx s TYR 208 Ca -0.12 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1pkx s TYR 208 Cb 0.21 0.64 0.00 0.00 0.38 0.00 0.00 41.96 43.19 1pkx s TYR 208 CO 0.81 -0.75 0.00 0.41 -1.52 0.00 0.00 175.55 174.49 1pkx n GLY 209 N -0.56 0.79 0.31 5.49 0.00 0.05 -4.00 105.19 107.27 1pkx n GLY 209 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.46 -3.93 1.61 1.85 -1.96 -3.41 114.93 109.55 1pkx h MET 210 Ca 0.00 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.94 1pkx h MET 210 Cb 0.00 -0.10 -0.17 0.00 0.43 0.00 0.00 31.60 31.75 1pkx h MET 210 CO 0.00 0.31 -0.57 -0.80 -0.40 0.00 0.00 176.91 175.45 1pkx s ASN 211 N -6.69 0.26 0.39 1.39 0.01 -1.26 -4.94 114.94 104.10 1pkx s ASN 211 Ca -0.08 -0.65 0.20 0.00 -0.71 0.00 0.00 52.86 51.62 1pkx s ASN 211 Cb 0.18 0.21 1.17 0.00 0.41 0.00 0.00 41.25 43.22 1pkx s ASN 211 CO 0.73 -0.52 1.71 -0.65 -1.51 0.00 0.00 177.10 176.86 1pkx h PRO 212 N 3.58 0.31 0.00 -0.60 0.11 -1.95 -0.73 132.00 132.72 1pkx h PRO 212 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1pkx h PRO 212 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pkx h PRO 212 CO 0.54 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 1pkx n HIS 213 N -4.72 0.17 -3.04 0.65 1.44 -1.26 -4.50 115.22 103.96 1pkx n HIS 213 Ca 0.29 0.06 -0.45 0.00 -2.01 0.00 0.00 57.72 55.62 1pkx n HIS 213 Cb 1.03 -0.59 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 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 -3.04 3.46 0.04 -1.40 -0.21 -0.28 -4.99 119.66 113.25 1pkx s GLN 214 Ca 0.10 -1.76 0.04 0.00 0.02 0.00 0.00 55.36 53.77 1pkx s GLN 214 Cb 0.14 -4.64 -0.02 0.00 1.00 0.00 0.00 33.01 29.49 1pkx s GLN 214 CO 0.44 -1.63 -0.12 -0.08 -2.12 0.00 0.00 175.29 171.77 1pkx s THR 215 N 2.26 0.90 0.84 -0.19 -1.32 -1.26 -0.77 115.64 116.10 1pkx s THR 215 Ca 0.25 -1.02 -0.11 0.00 -1.21 0.00 0.00 61.69 59.61 1pkx s THR 215 Cb -0.10 -0.86 0.19 0.00 -1.51 0.00 0.00 72.50 70.21 1pkx s THR 215 CO -0.05 -0.13 1.14 -0.81 -2.21 0.00 0.00 174.62 172.56 1pkx n PRO 216 N 1.75 -0.84 -3.58 7.08 -0.04 -1.26 -5.07 135.00 133.03 1pkx n PRO 216 Ca -0.19 -2.12 -0.14 0.00 -0.04 0.00 0.00 63.50 61.00 1pkx n PRO 216 Cb 0.55 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.89 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 -3.71 -1.32 0.16 0.55 0.00 -1.26 -4.72 121.76 111.46 1pkx s ALA 217 Ca 0.68 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 1pkx s ALA 217 Cb -0.02 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.49 1pkx s ALA 217 CO 0.47 -0.48 0.55 1.14 0.00 0.00 0.00 175.76 177.44 1pkx s GLN 218 N -2.30 1.24 -0.07 0.00 -2.07 -1.26 -1.33 119.66 113.86 1pkx s GLN 218 Ca -0.06 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 52.96 1pkx s GLN 218 Cb -0.01 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.45 1pkx s GLN 218 CO -0.01 -0.53 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.09 1pkx s LEU 219 N -2.77 2.55 0.20 2.60 2.96 -0.09 -4.91 118.68 119.21 1pkx s LEU 219 Ca 0.02 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 1pkx s LEU 219 Cb -0.00 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.18 1pkx s LEU 219 CO -0.12 0.27 0.47 -0.72 -1.32 0.00 0.00 176.35 174.93 1pkx s TYR 220 N -0.30 0.06 0.08 5.38 -0.85 -1.26 -0.11 117.35 120.35 1pkx s TYR 220 Ca 0.02 -0.42 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1pkx s TYR 220 Cb -0.13 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1pkx s TYR 220 CO 0.03 -0.89 -0.07 -0.08 -1.52 0.00 0.00 175.55 173.01 1pkx s THR 221 N -3.92 0.67 -2.43 -3.49 -1.32 -0.60 -5.01 115.64 99.54 1pkx s THR 221 Ca 0.13 -1.67 0.23 0.00 -1.21 0.00 0.00 61.69 59.17 1pkx s THR 221 Cb -0.00 -1.35 0.43 0.00 -1.51 0.00 0.00 72.50 70.07 1pkx s THR 221 CO -0.00 -0.71 1.51 0.18 -2.21 0.00 0.00 174.62 173.39 1pkx n LEU 222 N 0.44 2.24 -4.93 9.08 7.99 -1.26 -4.86 117.00 125.69 1pkx n LEU 222 Ca -0.16 -0.91 -0.25 0.00 -0.01 0.00 0.00 56.01 54.68 1pkx n LEU 222 Cb 0.59 -0.12 0.03 0.00 -0.11 0.00 0.00 43.42 43.81 1pkx n LEU 222 CO 0.27 0.45 0.49 -1.10 -1.51 0.00 0.00 177.39 176.00 1pkx s GLN 223 N -1.76 2.81 0.57 3.23 -1.52 -1.26 -4.98 119.66 116.75 1pkx s GLN 223 Ca 0.34 -0.18 0.29 0.00 -1.95 0.00 0.00 55.36 53.86 1pkx s GLN 223 Cb 0.19 -2.32 1.70 0.00 -0.22 0.00 0.00 33.01 32.37 1pkx s GLN 223 CO 0.29 -0.71 2.20 -1.35 -0.25 0.00 0.00 175.29 175.47 1pkx h PRO 224 N -0.13 0.00 -2.68 2.91 0.11 -1.98 -3.44 132.00 126.79 1pkx h PRO 224 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1pkx h PRO 224 Cb 1.27 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.16 1pkx h PRO 224 CO 0.59 0.04 -0.16 0.21 -0.21 0.00 0.00 178.00 178.47 1pkx s LYS 225 N -4.52 0.66 0.52 1.05 2.20 -1.26 -4.23 119.74 114.16 1pkx s LYS 225 Ca -0.04 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.63 1pkx s LYS 225 Cb 0.15 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.72 1pkx s LYS 225 CO 0.56 -0.15 1.21 -0.51 -0.36 0.00 0.00 175.35 176.10 1pkx s LEU 226 N -0.55 3.86 0.00 5.43 1.43 -0.18 -4.91 118.68 123.76 1pkx s LEU 226 Ca -0.07 2.39 0.30 0.00 -1.03 0.00 0.00 54.13 55.73 1pkx s LEU 226 Cb -0.03 -4.39 1.47 0.00 0.03 0.00 0.00 46.19 43.27 1pkx s LEU 226 CO 0.03 -1.25 2.01 -0.81 0.23 0.00 0.00 176.35 176.56 1pkx n PRO 227 N -0.99 0.60 -4.10 1.29 -0.04 -1.26 -4.77 135.00 125.73 1pkx n PRO 227 Ca 0.10 -0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 1pkx n PRO 227 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.46 4.83 -0.17 0.52 1.01 -1.26 -1.39 121.20 122.28 1pkx s ILE 228 Ca 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1pkx s ILE 228 Cb 0.20 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1pkx s ILE 228 CO 0.45 0.56 -0.20 -0.89 0.00 0.00 0.00 174.94 174.85 1pkx s THR 229 N -0.45 2.08 -0.35 2.92 2.01 -0.27 -4.97 115.64 116.61 1pkx s THR 229 Ca 0.10 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1pkx s THR 229 Cb -0.12 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1pkx s THR 229 CO 0.02 0.54 1.20 -0.69 -0.69 0.00 0.00 174.62 175.00 1pkx s VAL 230 N 1.14 4.26 -0.12 3.82 1.01 -1.26 -1.38 120.40 127.86 1pkx s VAL 230 Ca 0.01 1.40 0.21 0.00 0.00 0.00 0.00 61.98 63.60 1pkx s VAL 230 Cb -0.14 -4.34 -0.20 0.00 0.00 0.00 0.00 36.38 31.70 1pkx s VAL 230 CO -0.09 -0.61 0.63 0.18 0.00 0.00 0.00 175.10 175.21 1pkx n LEU 231 N 7.50 0.37 -3.55 3.92 4.77 -0.17 -4.98 117.00 124.87 1pkx n LEU 231 Ca 0.13 0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 56.09 1pkx n LEU 231 Cb 0.47 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1pkx n LEU 231 CO 0.64 0.05 0.38 0.21 -1.33 0.00 0.00 177.39 177.34 1pkx s ASN 232 N -5.10 -0.60 0.74 -1.43 2.47 -1.17 -4.95 114.94 104.91 1pkx s ASN 232 Ca -0.05 0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1pkx s ASN 232 Cb 0.11 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 1pkx s ASN 232 CO 0.85 -0.60 0.00 0.61 -3.72 0.00 0.00 177.10 174.24 1pkx n GLY 233 N 0.92 0.41 3.03 1.21 0.00 -1.22 -1.34 105.19 108.21 1pkx n GLY 233 Ca -0.19 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.74 -1.12 0.52 4.61 0.00 -1.26 -4.90 121.76 117.87 1pkx s ALA 234 Ca 0.00 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 1pkx s ALA 234 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 1pkx s ALA 234 CO 0.00 -1.09 1.22 -1.25 0.00 0.00 0.00 175.76 174.65 1pkx s PRO 235 N 2.57 3.38 0.49 0.00 0.04 -1.26 -4.93 135.00 135.28 1pkx s PRO 235 Ca 0.08 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.08 1pkx s PRO 235 Cb -0.14 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.23 1pkx s PRO 235 CO -0.15 -0.90 0.50 0.41 0.04 0.00 0.00 177.00 176.90 1pkx n GLY 236 N 0.51 2.44 0.10 0.56 0.00 -1.26 -4.72 105.19 102.82 1pkx n GLY 236 Ca 0.10 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 1pkx n GLY 236 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pkx h PHE 237 N 0.41 -0.16 -0.20 1.61 3.04 -1.80 -1.73 116.94 118.10 1pkx h PHE 237 Ca -0.27 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.55 1pkx h PHE 237 Cb 1.09 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1pkx h PHE 237 CO 0.00 -0.09 -0.39 0.82 -2.02 0.00 0.00 178.31 176.63 1pkx h ILE 238 N -0.19 1.30 -0.58 1.41 2.04 -1.90 -2.13 117.51 117.47 1pkx h ILE 238 Ca -0.02 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.40 1pkx h ILE 238 Cb 0.14 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 1pkx h ILE 238 CO 0.03 0.47 0.20 0.78 0.00 0.00 0.00 178.15 179.63 1pkx h ASN 239 N 0.38 0.18 -0.42 1.72 -0.26 -1.90 -1.00 115.58 114.28 1pkx h ASN 239 Ca 0.04 0.08 -0.09 0.00 -0.56 0.00 0.00 56.30 55.77 1pkx h ASN 239 Cb 0.85 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 1pkx h ASN 239 CO 0.07 0.11 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.43 1pkx h LEU 240 N 0.37 0.83 -0.69 1.61 3.38 -0.99 0.30 115.31 120.12 1pkx h LEU 240 Ca 0.29 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1pkx h LEU 240 Cb 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1pkx h LEU 240 CO -0.30 0.93 0.23 0.00 0.09 0.00 0.00 178.44 179.39 1pkx h ASP 242 N 1.00 -0.16 -0.71 0.00 3.32 -0.95 -3.10 116.42 115.82 1pkx h ASP 242 Ca 0.22 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1pkx h ASP 242 Cb 0.27 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1pkx h ASP 242 CO -0.01 0.21 0.45 0.00 -1.72 0.00 0.00 179.24 178.18 1pkx h ALA 243 N 0.23 0.93 -0.05 3.45 0.00 -0.32 0.16 119.26 123.66 1pkx h ALA 243 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1pkx h ALA 243 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pkx h ALA 243 CO 0.03 0.25 -0.67 -0.07 0.00 0.00 0.00 179.25 178.79 1pkx h LEU 244 N 0.89 0.24 -0.02 0.00 3.38 -1.28 -0.40 115.31 118.12 1pkx h LEU 244 Ca 0.28 -0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 1pkx h LEU 244 Cb -0.01 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.69 1pkx h LEU 244 CO -0.10 0.84 -0.83 0.78 0.09 0.00 0.00 178.44 179.22 1pkx h ASN 245 N 0.14 0.77 -0.76 -0.43 2.35 -1.44 -3.02 115.58 113.19 1pkx h ASN 245 Ca -0.01 -0.73 -0.04 0.00 -0.55 0.00 0.00 56.30 54.97 1pkx h ASN 245 Cb 1.20 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 1pkx h ASN 245 CO 0.10 1.39 0.32 0.00 -1.65 0.00 0.00 177.43 177.60 1pkx h ALA 246 N 0.39 1.12 -0.22 -0.83 0.00 -0.92 -1.89 119.26 116.90 1pkx h ALA 246 Ca -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1pkx h ALA 246 Cb 1.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1pkx h ALA 246 CO 0.16 0.64 0.08 2.35 0.00 0.00 0.00 179.25 182.48 1pkx h TRP 247 N 1.12 0.14 -0.70 0.00 2.91 -1.11 -2.26 115.95 116.04 1pkx h TRP 247 Ca 0.26 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.26 1pkx h TRP 247 Cb 0.18 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 1pkx h TRP 247 CO 0.02 0.07 0.32 1.96 -1.03 0.00 0.00 178.44 179.77 1pkx h GLN 248 N 0.18 1.01 0.25 2.65 4.20 -1.35 -1.04 115.11 121.00 1pkx h GLN 248 Ca 0.10 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1pkx h GLN 248 Cb 0.06 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1pkx h GLN 248 CO -0.10 0.79 -0.12 1.25 -0.67 0.00 0.00 178.83 179.98 1pkx h LEU 249 N 1.00 -0.28 -0.63 1.46 6.46 -0.94 -0.52 115.31 121.86 1pkx h LEU 249 Ca 0.24 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 1pkx h LEU 249 Cb 0.13 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1pkx h LEU 249 CO -0.03 -0.20 -0.47 -0.37 -0.62 0.00 0.00 178.44 176.75 1pkx h VAL 250 N -0.33 1.31 -0.27 1.05 -1.51 -1.27 -0.86 116.25 114.37 1pkx h VAL 250 Ca -0.03 -1.68 0.01 0.00 -1.23 0.00 0.00 66.70 63.77 1pkx h VAL 250 Cb 0.26 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1pkx h VAL 250 CO 0.06 0.52 0.16 0.50 -1.23 0.00 0.00 177.57 177.58 1pkx h LYS 251 N 0.42 0.33 -0.53 5.19 3.64 -1.10 0.14 116.57 124.66 1pkx h LYS 251 Ca 0.02 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1pkx h LYS 251 Cb 0.98 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1pkx h LYS 251 CO 0.09 0.22 0.04 0.93 -2.27 0.00 0.00 179.45 178.46 1pkx h GLU 252 N 0.34 0.87 -0.48 1.90 5.08 -0.86 -0.87 114.58 120.55 1pkx h GLU 252 Ca 0.11 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1pkx h GLU 252 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1pkx h GLU 252 CO -0.04 0.84 0.08 -0.07 -1.00 0.00 0.00 179.01 178.82 1pkx h LEU 253 N 0.81 0.76 0.12 1.33 3.38 -0.66 -0.93 115.31 120.13 1pkx h LEU 253 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1pkx h LEU 253 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1pkx h LEU 253 CO 0.01 0.83 -0.19 0.50 0.09 0.00 0.00 178.44 179.68 1pkx h LYS 254 N 0.67 -0.36 -0.63 1.13 1.63 -0.44 -1.13 116.57 117.45 1pkx h LYS 254 Ca 0.15 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1pkx h LYS 254 Cb 0.39 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.06 1pkx h LYS 254 CO 0.01 -0.24 0.39 0.93 -3.45 0.00 0.00 179.45 177.09 1pkx h GLU 255 N -0.37 0.75 -0.28 1.90 5.08 -1.10 0.28 114.58 120.84 1pkx h GLU 255 Ca 0.02 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1pkx h GLU 255 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1pkx h GLU 255 CO -0.09 0.49 -0.46 0.00 -1.00 0.00 0.00 179.01 177.95 1pkx h ALA 256 N 1.27 0.66 -0.00 3.43 0.00 -0.95 -3.37 119.26 120.29 1pkx h ALA 256 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1pkx h ALA 256 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1pkx h ALA 256 CO -0.10 0.67 -0.26 1.28 0.00 0.00 0.00 179.25 180.84 1pkx n LEU 257 N -4.02 0.70 0.00 0.00 4.77 -0.45 -4.98 117.00 113.03 1pkx n LEU 257 Ca -0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1pkx n LEU 257 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1pkx n LEU 257 CO 0.48 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1pkx n GLY 258 N 1.00 0.46 3.59 -0.72 0.00 0.99 -5.00 105.19 105.51 1pkx n GLY 258 Ca 0.02 0.00 -0.34 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 -2.24 3.75 0.27 -0.61 1.01 -1.26 -5.06 121.20 117.06 1pkx s ILE 259 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1pkx s ILE 259 Cb 0.00 -2.53 -0.14 0.00 0.01 0.00 0.00 42.46 39.80 1pkx s ILE 259 CO 0.00 0.60 1.14 -2.65 0.00 0.00 0.00 174.94 174.03 1pkx n PRO 260 N 2.21 1.56 -4.28 2.79 -0.02 -1.26 -4.39 135.00 131.61 1pkx n PRO 260 Ca -0.18 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 1pkx n PRO 260 Cb 0.53 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.79 1.76 0.03 3.55 0.00 -1.26 -0.45 121.76 124.60 1pkx s ALA 261 Ca 0.62 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1pkx s ALA 261 Cb -0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1pkx s ALA 261 CO 0.58 0.23 0.02 0.00 0.00 0.00 0.00 175.76 176.58 1pkx s ALA 262 N -1.79 0.17 0.01 0.00 0.00 -0.18 -1.05 121.76 118.91 1pkx s ALA 262 Ca 0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1pkx s ALA 262 Cb -0.07 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1pkx s ALA 262 CO 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 175.76 175.61 1pkx s ALA 263 N -2.58 -0.18 -0.25 0.00 0.00 -0.41 -1.42 121.76 116.92 1pkx s ALA 263 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1pkx s ALA 263 Cb -0.02 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.28 1pkx s ALA 263 CO -0.05 -0.19 -0.10 0.45 0.00 0.00 0.00 175.76 175.87 1pkx s SER 264 N -1.37 4.21 0.01 0.00 0.15 -0.26 -1.50 113.70 114.94 1pkx s SER 264 Ca -0.15 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.22 1pkx s SER 264 Cb -0.08 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1pkx s SER 264 CO 0.01 -0.18 0.07 -0.36 1.20 0.00 0.00 173.24 173.97 1pkx s PHE 265 N 1.18 3.24 -0.20 3.44 0.40 -0.00 0.13 117.98 126.17 1pkx s PHE 265 Ca -0.07 0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.33 1pkx s PHE 265 Cb -0.19 -1.71 0.07 0.00 0.51 0.00 0.00 43.02 41.70 1pkx s PHE 265 CO -0.06 0.53 0.46 0.21 0.70 0.00 0.00 175.22 177.06 1pkx s LYS 266 N -1.82 0.42 -1.42 0.44 2.47 -0.78 -0.67 119.74 118.38 1pkx s LYS 266 Ca 0.23 0.94 -0.05 0.00 -1.56 0.00 0.00 55.97 55.54 1pkx s LYS 266 Cb -0.12 0.14 0.03 0.00 -1.46 0.00 0.00 37.83 36.42 1pkx s LYS 266 CO 0.15 -0.19 0.69 0.72 0.16 0.00 0.00 175.35 176.88 1pkx n HIS 267 N 4.66 -1.92 -2.29 4.03 8.25 -1.26 -2.85 115.22 123.85 1pkx n HIS 267 Ca -0.18 0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 57.90 1pkx n HIS 267 Cb 0.54 -4.00 -0.02 0.00 1.12 0.00 0.00 29.99 27.62 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 -0.86 -3.88 1.59 0.31 -1.26 -4.96 118.33 104.85 1pkx n VAL 268 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1pkx n VAL 268 Cb 0.63 -2.85 -0.09 0.00 -0.91 0.00 0.00 33.84 30.62 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 -2.15 0.09 0.08 4.52 0.01 -1.13 -4.19 113.70 110.92 1pkx s SER 269 Ca 0.00 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.57 1pkx s SER 269 Cb 0.00 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 1pkx s SER 269 CO 0.00 -0.51 0.91 -2.16 0.41 0.00 0.00 173.24 171.89 1pkx s PRO 270 N -2.40 4.63 0.28 12.44 0.04 -1.26 -1.86 135.00 146.86 1pkx s PRO 270 Ca -0.07 1.34 0.23 0.00 0.04 0.00 0.00 61.00 62.54 1pkx s PRO 270 Cb -0.02 -3.39 0.11 0.00 0.04 0.00 0.00 34.50 31.24 1pkx s PRO 270 CO -0.03 0.19 1.23 0.00 0.04 0.00 0.00 177.00 178.43 1pkx h ALA 271 N 5.78 0.66 -1.80 8.56 0.00 -0.64 -3.48 119.26 128.35 1pkx h ALA 271 Ca -0.43 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.62 1pkx h ALA 271 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1pkx h ALA 271 CO 0.72 0.00 0.61 0.20 0.00 0.00 0.00 179.25 180.78 1pkx s GLY 272 N -4.32 -0.33 -0.19 0.00 0.00 -1.13 -4.29 107.32 97.06 1pkx s GLY 272 Ca 0.02 1.57 -0.28 0.00 0.00 0.00 0.00 44.72 46.03 1pkx s GLY 272 CO 0.75 0.65 0.83 0.00 0.00 0.00 0.00 173.10 175.33 1pkx s ALA 273 N -2.20 -1.85 0.22 3.20 0.00 -1.26 -1.10 121.76 118.77 1pkx s ALA 273 Ca 0.04 1.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.47 1pkx s ALA 273 Cb -0.01 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.36 1pkx s ALA 273 CO -0.04 -0.32 0.79 0.00 0.00 0.00 0.00 175.76 176.18 1pkx s ALA 274 N -0.41 -1.41 0.23 0.00 0.00 -0.51 -1.04 121.76 118.62 1pkx s ALA 274 Ca -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1pkx s ALA 274 Cb -0.03 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1pkx s ALA 274 CO 0.02 -1.00 0.13 0.14 0.00 0.00 0.00 175.76 175.06 1pkx s VAL 275 N -3.68 4.22 -0.83 0.00 -7.23 -0.12 -1.01 120.40 111.75 1pkx s VAL 275 Ca 0.10 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1pkx s VAL 275 Cb -0.04 -3.24 -0.06 0.00 0.56 0.00 0.00 36.38 33.60 1pkx s VAL 275 CO 0.03 -0.28 2.00 0.61 -0.31 0.00 0.00 175.10 177.15 1pkx n GLY 276 N -0.86 2.95 3.71 2.32 0.00 0.40 -4.50 105.19 109.20 1pkx n GLY 276 Ca -0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 3.70 4.48 0.21 -0.61 -1.09 -1.26 -4.74 121.20 121.89 1pkx s ILE 277 Ca 0.38 1.78 -0.30 0.00 -2.23 0.00 0.00 60.65 60.28 1pkx s ILE 277 Cb 0.10 -4.14 -0.16 0.00 -1.58 0.00 0.00 42.46 36.68 1pkx s ILE 277 CO -0.02 0.10 0.91 -2.65 -1.23 0.00 0.00 174.94 172.06 1pkx n PRO 278 N 4.22 0.83 -3.19 2.79 -0.02 -1.26 -4.85 135.00 133.51 1pkx n PRO 278 Ca 0.08 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 1pkx n PRO 278 Cb 0.48 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.22 4.44 0.84 2.45 1.43 -1.26 -5.07 118.68 122.73 1pkx s LEU 279 Ca 0.66 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1pkx s LEU 279 Cb -0.84 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1pkx s LEU 279 CO 0.57 0.13 1.16 -0.94 0.23 0.00 0.00 176.35 177.49 1pkx s SER 280 N -0.36 4.23 0.18 2.29 1.04 -1.26 -4.82 113.70 115.00 1pkx s SER 280 Ca 0.31 0.86 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 1pkx s SER 280 Cb -0.19 -1.39 0.13 0.00 0.10 0.00 0.00 66.02 64.67 1pkx s SER 280 CO 0.18 -2.09 1.81 -0.33 0.98 0.00 0.00 173.24 173.79 1pkx h GLU 281 N -1.18 0.61 -0.14 4.02 5.08 -1.99 -1.53 114.58 119.44 1pkx h GLU 281 Ca -0.47 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 1pkx h GLU 281 Cb 1.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1pkx h GLU 281 CO 0.65 0.40 -0.47 -0.44 -1.00 0.00 0.00 179.01 178.15 1pkx h ASP 282 N 0.63 0.40 -0.51 1.42 3.32 -1.99 -2.31 116.42 117.37 1pkx h ASP 282 Ca 0.23 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1pkx h ASP 282 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1pkx h ASP 282 CO -0.11 0.81 0.21 -0.33 -1.72 0.00 0.00 179.24 178.10 1pkx h GLU 283 N 0.30 0.76 -0.03 3.56 5.08 -1.82 -0.74 114.58 121.68 1pkx h GLU 283 Ca 0.02 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1pkx h GLU 283 Cb 0.94 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1pkx h GLU 283 CO 0.08 0.66 -0.11 0.00 -1.00 0.00 0.00 179.01 178.64 1pkx h ALA 284 N 1.06 1.76 -0.33 3.43 0.00 -1.10 -0.02 119.26 124.06 1pkx h ALA 284 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1pkx h ALA 284 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pkx h ALA 284 CO -0.02 0.18 -0.23 0.87 0.00 0.00 0.00 179.25 180.05 1pkx h LYS 285 N 0.04 0.74 -0.40 0.00 1.57 -0.78 -0.79 116.57 116.96 1pkx h LYS 285 Ca 0.01 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1pkx h LYS 285 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1pkx h LYS 285 CO 0.02 0.97 0.03 0.28 -0.57 0.00 0.00 179.45 180.18 1pkx h VAL 286 N 0.52 1.21 -0.01 0.50 2.07 0.08 -1.93 116.25 118.69 1pkx h VAL 286 Ca 0.07 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1pkx h VAL 286 Cb 0.79 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1pkx h VAL 286 CO 0.06 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 1pkx n MET 288 N -0.61 -7.43 -0.40 0.00 0.00 -0.64 -4.86 117.12 103.18 1pkx n MET 288 Ca 0.20 0.80 0.03 0.00 0.00 0.00 0.00 57.70 58.73 1pkx n MET 288 Cb 0.23 -5.75 0.04 0.00 0.00 0.00 0.00 33.22 27.73 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 -4.74 0.51 0.23 2.03 0.24 -0.39 -4.85 118.33 111.36 1pkx n VAL 289 Ca -0.05 -0.63 0.06 0.00 -2.04 0.00 0.00 64.34 61.68 1pkx n VAL 289 Cb 0.58 0.31 0.54 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.02 0.00 0.00 6.34 3.20 -1.81 -1.38 116.97 123.34 1pkx h TYR 290 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1pkx h TYR 290 Cb 1.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1pkx h TYR 290 CO 0.08 0.16 0.00 -0.40 -1.64 0.00 0.00 178.16 176.36 1pkx n ASP 291 N -4.25 0.32 -0.32 -2.11 5.75 -1.26 -1.82 116.55 112.85 1pkx n ASP 291 Ca -0.02 0.59 0.03 0.00 -0.01 0.00 0.00 54.79 55.37 1pkx n ASP 291 Cb 0.23 -0.65 0.07 0.00 -1.03 0.00 0.00 41.12 39.75 1pkx n ASP 291 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pkx n LEU 292 N -1.86 2.38 -0.33 -2.12 4.77 -0.54 -4.87 117.00 114.44 1pkx n LEU 292 Ca 0.02 -1.90 -0.04 0.00 -0.03 0.00 0.00 56.01 54.06 1pkx n LEU 292 Cb 0.17 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1pkx n LEU 292 CO 0.14 0.59 0.44 0.00 -1.33 0.00 0.00 177.39 177.24 1pkx n TYR 293 N 0.06 -0.14 0.36 -1.77 9.36 -0.76 -0.40 117.16 123.87 1pkx n TYR 293 Ca 0.06 1.01 0.06 0.00 3.32 0.00 0.00 57.90 62.35 1pkx n TYR 293 Cb 0.32 -0.70 0.27 0.00 -0.63 0.00 0.00 39.34 38.61 1pkx n TYR 293 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1pkx n LYS 294 N -5.12 0.03 0.00 2.98 4.76 -1.26 -2.32 118.16 117.22 1pkx n LYS 294 Ca 0.05 0.34 0.10 0.00 -2.87 0.00 0.00 58.31 55.94 1pkx n LYS 294 Cb 0.28 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1pkx n LYS 294 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1pkx n THR 295 N -1.62 0.00 -1.64 -0.18 -2.24 0.46 -4.99 114.28 104.07 1pkx n THR 295 Ca 0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 1pkx n THR 295 Cb 0.13 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.46 3.50 -4.31 3.22 4.77 -0.98 -4.82 117.00 116.92 1pkx n LEU 296 Ca 0.04 0.96 -0.16 0.00 -0.03 0.00 0.00 56.01 56.82 1pkx n LEU 296 Cb 0.33 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.91 1pkx n LEU 296 CO 0.41 -1.39 -0.26 0.42 -1.33 0.00 0.00 177.39 175.24 1pkx s THR 297 N -1.35 0.55 0.17 -5.08 -4.23 -1.26 -4.99 115.64 99.46 1pkx s THR 297 Ca 0.68 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 1pkx s THR 297 Cb -0.48 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 70.86 1pkx s THR 297 CO 0.53 -0.03 1.64 -0.65 -0.54 0.00 0.00 174.62 175.58 1pkx h PRO 298 N 2.41 -0.08 -0.15 3.99 0.11 -1.96 0.21 132.00 136.52 1pkx h PRO 298 Ca -0.38 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 1pkx h PRO 298 Cb 1.24 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1pkx h PRO 298 CO 0.61 -0.05 -0.46 0.97 -0.21 0.00 0.00 178.00 178.85 1pkx h ILE 299 N -0.08 1.32 -0.04 4.15 6.09 -1.90 -1.19 117.51 125.87 1pkx h ILE 299 Ca 0.21 -1.66 -0.15 0.00 -1.37 0.00 0.00 64.86 61.89 1pkx h ILE 299 Cb 0.40 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 1pkx h ILE 299 CO -0.49 0.51 -0.65 0.77 -3.07 0.00 0.00 178.15 175.22 1pkx h SER 300 N 0.31 0.18 -0.23 2.19 4.64 -1.83 -2.05 113.55 116.76 1pkx h SER 300 Ca 0.02 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1pkx h SER 300 Cb 0.94 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1pkx h SER 300 CO 0.08 0.78 -0.37 0.00 -0.87 0.00 0.00 176.83 176.44 1pkx h ALA 301 N 1.22 0.72 -0.46 5.18 0.00 -0.38 -1.38 119.26 124.16 1pkx h ALA 301 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1pkx h ALA 301 Cb 1.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1pkx h ALA 301 CO 0.09 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.18 1pkx h ALA 302 N 0.94 0.60 -0.08 0.00 0.00 -1.03 -1.76 119.26 117.93 1pkx h ALA 302 Ca 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1pkx h ALA 302 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pkx h ALA 302 CO 0.08 0.23 -0.48 -0.92 0.00 0.00 0.00 179.25 178.17 1pkx h TYR 303 N 0.61 0.25 -0.65 0.00 3.20 -1.20 -0.83 116.97 118.35 1pkx h TYR 303 Ca 0.15 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1pkx h TYR 303 Cb 0.22 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1pkx h TYR 303 CO 0.01 0.65 0.11 0.00 -1.64 0.00 0.00 178.16 177.29 1pkx h ALA 304 N 1.34 0.97 -0.30 1.82 0.00 -1.01 0.16 119.26 122.24 1pkx h ALA 304 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1pkx h ALA 304 Cb 0.91 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pkx h ALA 304 CO 0.07 0.65 -0.48 0.00 0.00 0.00 0.00 179.25 179.49 1pkx h ARG 305 N 1.00 0.82 0.06 0.00 3.08 -1.10 -1.05 114.38 117.19 1pkx h ARG 305 Ca 0.20 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1pkx h ARG 305 Cb 0.42 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1pkx h ARG 305 CO 0.01 1.11 -0.03 0.00 -1.07 0.00 0.00 179.97 179.99 1pkx h ALA 306 N 0.80 -0.08 0.00 0.04 0.00 -0.73 -2.81 119.26 116.48 1pkx h ALA 306 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pkx h ALA 306 Cb 1.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pkx h ALA 306 CO 0.11 -0.50 -0.09 -0.09 0.00 0.00 0.00 179.25 178.68 1pkx h ARG 307 N -0.18 0.00 -0.00 0.00 2.43 -1.03 -3.27 114.38 112.33 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 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1pkx h ARG 307 CO 0.01 0.09 -0.08 0.41 -1.51 0.00 0.00 179.97 178.89 1pkx n GLY 308 N 0.55 -1.39 0.05 2.80 0.00 -0.40 -3.95 105.19 102.85 1pkx n GLY 308 Ca 0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 3.10 0.04 -1.87 4.61 0.00 -1.55 -3.40 119.26 120.19 1pkx h ALA 309 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1pkx h ALA 309 Cb 0.46 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.94 1pkx h ALA 309 CO 0.00 -0.45 -0.62 0.34 0.00 0.00 0.00 179.25 178.53 1pkx s ASP 310 N -5.25 0.90 0.42 0.00 -1.08 -1.26 -4.75 116.67 105.66 1pkx s ASP 310 Ca -0.13 -1.00 0.11 0.00 -0.52 0.00 0.00 52.55 51.01 1pkx s ASP 310 Cb 0.06 0.79 0.96 0.00 -1.46 0.00 0.00 42.92 43.27 1pkx s ASP 310 CO 0.67 -0.31 2.00 0.03 0.52 0.00 0.00 175.17 178.08 1pkx h ARG 311 N 7.65 0.46 -0.13 4.34 3.08 -1.79 -2.00 114.38 125.99 1pkx h ARG 311 Ca -0.03 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1pkx h ARG 311 Cb 1.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1pkx h ARG 311 CO 0.24 0.30 -0.53 0.52 -1.07 0.00 0.00 179.97 179.44 1pkx h MET 312 N 0.47 0.37 0.00 0.04 2.86 -1.96 -2.80 114.93 113.92 1pkx h MET 312 Ca 0.24 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1pkx h MET 312 Cb 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1pkx h MET 312 CO -0.07 0.81 -0.44 0.77 1.06 0.00 0.00 176.91 179.04 1pkx h SER 313 N 0.29 0.00 0.76 1.22 0.02 -1.86 -3.19 113.55 110.79 1pkx h SER 313 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1pkx h SER 313 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1pkx h SER 313 CO 0.09 0.44 -0.07 -1.20 -1.14 0.00 0.00 176.83 174.95 1pkx n SER 314 N -3.24 0.12 -4.62 3.07 7.64 -0.79 -4.72 113.62 111.08 1pkx n SER 314 Ca 0.02 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1pkx n SER 314 Cb 0.69 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.84 1.43 0.00 1.43 2.19 -1.07 -1.23 117.98 117.89 1pkx s PHE 315 Ca 0.19 0.34 0.00 0.00 0.33 0.00 0.00 56.93 57.79 1pkx s PHE 315 Cb 0.19 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.87 1pkx s PHE 315 CO 0.53 -4.07 0.00 0.41 1.83 0.00 0.00 175.22 173.92 1pkx n GLY 316 N 5.28 0.51 3.80 13.12 0.00 -0.09 -4.98 105.19 122.84 1pkx n GLY 316 Ca 0.25 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.91 4.47 -0.20 1.61 -4.77 -0.37 -3.59 116.67 110.91 1pkx s ASP 317 Ca 0.00 1.29 -0.03 0.00 -3.30 0.00 0.00 52.55 50.51 1pkx s ASP 317 Cb 0.00 -2.02 -0.01 0.00 -1.09 0.00 0.00 42.92 39.80 1pkx s ASP 317 CO 0.00 -1.98 -0.07 0.12 0.70 0.00 0.00 175.17 173.94 1pkx s PHE 318 N -3.16 2.92 0.07 2.11 2.19 0.16 0.10 117.98 122.36 1pkx s PHE 318 Ca 0.61 -0.95 -0.18 0.00 0.33 0.00 0.00 56.93 56.74 1pkx s PHE 318 Cb -0.14 -2.05 -0.07 0.00 -1.31 0.00 0.00 43.02 39.46 1pkx s PHE 318 CO 0.54 -0.51 0.53 0.08 1.83 0.00 0.00 175.22 177.69 1pkx s VAL 319 N 1.27 4.81 -0.02 3.12 1.01 -0.05 -0.82 120.40 129.71 1pkx s VAL 319 Ca 0.03 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1pkx s VAL 319 Cb -0.14 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1pkx s VAL 319 CO -0.03 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.47 1pkx s ALA 320 N -1.15 1.09 -0.00 5.51 0.00 -0.56 -0.67 121.76 125.97 1pkx s ALA 320 Ca 0.29 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1pkx s ALA 320 Cb -0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1pkx s ALA 320 CO 0.18 0.21 -0.18 -0.51 0.00 0.00 0.00 175.76 175.46 1pkx s LEU 321 N -0.01 2.06 0.25 0.00 1.43 -0.87 -1.29 118.68 120.25 1pkx s LEU 321 Ca -0.00 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 52.98 1pkx s LEU 321 Cb -0.08 -0.91 0.56 0.00 0.03 0.00 0.00 46.19 45.79 1pkx s LEU 321 CO 0.01 0.20 1.60 0.77 0.23 0.00 0.00 176.35 179.16 1pkx h SER 322 N 5.53 0.00 -3.06 2.29 4.64 -1.39 -3.37 113.55 118.20 1pkx h SER 322 Ca -0.38 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.42 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 0.47 0.02 -0.64 -1.81 -0.87 0.00 0.00 176.83 174.00 1pkx s ASP 323 N -4.92 2.60 0.18 4.97 1.11 -1.26 -4.74 116.67 114.61 1pkx s ASP 323 Ca 0.08 -1.28 -0.33 0.00 0.18 0.00 0.00 52.55 51.20 1pkx s ASP 323 Cb 0.11 -0.13 -0.14 0.00 1.07 0.00 0.00 42.92 43.82 1pkx s ASP 323 CO 0.65 -0.47 1.40 0.52 1.18 0.00 0.00 175.17 178.45 1pkx n VAL 324 N -0.64 0.53 -2.20 -1.27 0.31 -1.26 -4.46 118.33 109.34 1pkx n VAL 324 Ca -0.04 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 1pkx n VAL 324 Cb 0.65 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 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 1.66 5.06 0.17 0.00 1.47 -1.26 -1.37 116.67 122.40 1pkx s ASP 326 Ca 0.64 -0.88 -0.14 0.00 1.18 0.00 0.00 52.55 53.35 1pkx s ASP 326 Cb -0.33 0.21 0.05 0.00 -0.34 0.00 0.00 42.92 42.51 1pkx s ASP 326 CO 0.28 -1.23 1.81 0.58 0.68 0.00 0.00 175.17 177.29 1pkx h VAL 327 N 0.35 1.15 -0.80 2.11 2.07 -1.94 -2.23 116.25 116.96 1pkx h VAL 327 Ca -0.32 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1pkx h VAL 327 Cb 1.29 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1pkx h VAL 327 CO 0.45 0.15 0.50 -0.65 0.02 0.00 0.00 177.57 178.03 1pkx h PRO 328 N 0.69 0.90 -0.19 1.57 0.11 -1.96 0.70 132.00 133.82 1pkx h PRO 328 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1pkx h PRO 328 Cb -0.03 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1pkx h PRO 328 CO -0.04 0.60 0.06 1.15 -0.21 0.00 0.00 178.00 179.56 1pkx h THR 329 N 0.93 1.18 -0.74 -1.15 2.02 -1.87 -1.01 112.91 112.28 1pkx h THR 329 Ca 0.34 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1pkx h THR 329 Cb 0.11 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1pkx h THR 329 CO -0.15 0.18 0.49 0.00 0.37 0.00 0.00 175.52 176.41 1pkx h ALA 330 N 0.88 1.47 -0.41 6.16 0.00 -1.03 -1.06 119.26 125.27 1pkx h ALA 330 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1pkx h ALA 330 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pkx h ALA 330 CO -0.00 0.49 -0.23 0.87 0.00 0.00 0.00 179.25 180.38 1pkx h LYS 331 N 1.00 0.84 -0.47 0.00 1.57 -0.54 0.12 116.57 119.10 1pkx h LYS 331 Ca 0.27 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1pkx h LYS 331 Cb -0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1pkx h LYS 331 CO -0.06 0.99 0.22 0.82 -0.57 0.00 0.00 179.45 180.86 1pkx h ILE 332 N 0.73 1.19 -0.40 1.86 2.04 -0.35 -3.02 117.51 119.56 1pkx h ILE 332 Ca 0.10 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 1pkx h ILE 332 Cb 0.77 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1pkx h ILE 332 CO 0.06 0.21 -0.28 0.40 0.00 0.00 0.00 178.15 178.54 1pkx h ILE 333 N 0.62 1.28 -0.81 -0.67 2.04 -1.10 -3.25 117.51 115.62 1pkx h ILE 333 Ca 0.16 -1.44 0.19 0.00 1.00 0.00 0.00 64.86 64.77 1pkx h ILE 333 Cb 0.12 1.32 -0.12 0.00 -0.74 0.00 0.00 36.82 37.41 1pkx h ILE 333 CO -0.02 0.48 0.24 -1.28 0.00 0.00 0.00 178.15 177.57 1pkx h SER 334 N 0.71 0.08 -0.38 1.72 0.87 -0.63 -1.66 113.55 114.26 1pkx h SER 334 Ca 0.08 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1pkx h SER 334 Cb 0.86 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1pkx h SER 334 CO 0.08 -0.05 0.00 -2.11 -0.53 0.00 0.00 176.83 174.21 1pkx n ARG 335 N -5.15 2.06 -4.43 2.24 1.85 -1.20 -4.90 116.66 107.12 1pkx n ARG 335 Ca 0.17 -1.44 -0.25 0.00 -1.00 0.00 0.00 57.85 55.33 1pkx n ARG 335 Cb 0.55 -1.38 -0.09 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.54 1.98 -0.27 2.89 0.41 -0.63 -5.00 118.70 116.55 1pkx s GLU 336 Ca 0.26 -1.87 -0.21 0.00 -0.41 0.00 0.00 54.97 52.75 1pkx s GLU 336 Cb 0.15 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.67 1pkx s GLU 336 CO 0.16 0.10 0.68 0.08 -0.49 0.00 0.00 175.26 175.79 1pkx s VAL 337 N -2.58 4.92 0.00 2.63 1.01 -1.26 -4.99 120.40 120.14 1pkx s VAL 337 Ca 0.34 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 1pkx s VAL 337 Cb 0.02 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1pkx s VAL 337 CO 0.18 -0.07 0.08 -0.55 0.00 0.00 0.00 175.10 174.74 1pkx s SER 338 N 1.52 0.08 0.15 3.32 0.15 -1.26 -0.91 113.70 116.75 1pkx s SER 338 Ca 0.28 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.79 1pkx s SER 338 Cb -0.15 0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.23 1pkx s SER 338 CO 0.10 -0.32 1.18 0.44 1.20 0.00 0.00 173.24 175.84 1pkx h ASP 339 N 4.55 0.00 0.00 5.45 3.45 -0.40 -3.46 116.42 126.02 1pkx h ASP 339 Ca -0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1pkx h ASP 339 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1pkx h ASP 339 CO 0.41 0.75 0.00 0.61 -1.57 0.00 0.00 179.24 179.44 1pkx n GLY 340 N 1.34 -2.61 3.20 2.75 0.00 -1.21 -4.14 105.19 104.52 1pkx n GLY 340 Ca -0.03 -1.27 -0.13 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 -2.01 0.05 -0.02 -0.61 2.07 -0.62 -0.87 121.20 119.20 1pkx s ILE 341 Ca 0.00 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 1pkx s ILE 341 Cb 0.00 -0.54 -0.00 0.00 0.13 0.00 0.00 42.46 42.05 1pkx s ILE 341 CO 0.00 -0.24 -0.13 -0.51 -1.91 0.00 0.00 174.94 172.15 1pkx s ILE 342 N -1.08 1.02 0.26 2.00 2.07 0.16 0.01 121.20 125.63 1pkx s ILE 342 Ca -0.11 -0.52 -0.21 0.00 -1.41 0.00 0.00 60.65 58.39 1pkx s ILE 342 Cb -0.05 -0.87 0.03 0.00 0.13 0.00 0.00 42.46 41.69 1pkx s ILE 342 CO 0.03 0.30 0.68 0.00 -1.91 0.00 0.00 174.94 174.04 1pkx s ALA 343 N -0.10 -1.22 -0.43 1.50 0.00 -0.60 -2.04 121.76 118.86 1pkx s ALA 343 Ca 0.01 -0.21 0.26 0.00 0.00 0.00 0.00 51.96 52.03 1pkx s ALA 343 Cb -0.07 0.87 0.88 0.00 0.00 0.00 0.00 23.12 24.80 1pkx s ALA 343 CO 0.00 -0.98 1.77 -1.00 0.00 0.00 0.00 175.76 175.55 1pkx h PRO 344 N 2.02 0.00 -1.73 0.00 0.13 -1.75 0.17 132.00 130.85 1pkx h PRO 344 Ca -0.22 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.31 1pkx h PRO 344 Cb 1.26 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1pkx h PRO 344 CO 0.27 0.00 0.99 0.20 -0.23 0.00 0.00 178.00 179.23 1pkx s GLY 345 N -3.81 -0.29 -0.07 1.56 0.00 -1.26 -4.57 107.32 98.86 1pkx s GLY 345 Ca 0.06 0.39 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 1pkx s GLY 345 CO 0.54 4.73 0.18 -0.19 0.00 0.00 0.00 173.10 178.35 1pkx s TYR 346 N -2.02 -0.21 0.44 1.90 1.51 -1.26 -1.22 117.35 116.48 1pkx s TYR 346 Ca 0.27 0.53 -0.24 0.00 -1.01 0.00 0.00 57.07 56.61 1pkx s TYR 346 Cb 0.02 0.00 -0.08 0.00 -0.11 0.00 0.00 41.96 41.80 1pkx s TYR 346 CO -0.04 -0.15 1.26 -1.21 -1.11 0.00 0.00 175.55 174.30 1pkx s GLU 347 N 0.74 3.80 0.29 -0.62 2.02 -0.47 -4.80 118.70 119.64 1pkx s GLU 347 Ca -0.05 2.03 0.02 0.00 0.02 0.00 0.00 54.97 56.99 1pkx s GLU 347 Cb -0.07 -2.58 0.61 0.00 0.10 0.00 0.00 34.13 32.19 1pkx s GLU 347 CO -0.04 -0.59 1.80 1.49 0.02 0.00 0.00 175.26 177.94 1pkx h GLU 348 N 2.33 0.82 -0.20 1.61 4.81 -2.00 -0.05 114.58 121.90 1pkx h GLU 348 Ca -0.50 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.54 1pkx h GLU 348 Cb 1.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1pkx h GLU 348 CO 0.61 0.55 -0.46 1.49 -0.73 0.00 0.00 179.01 180.46 1pkx h GLU 349 N 0.85 0.51 -0.52 1.92 4.81 -1.96 -2.30 114.58 117.89 1pkx h GLU 349 Ca 0.52 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1pkx h GLU 349 Cb 0.66 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1pkx h GLU 349 CO -0.32 0.87 0.02 0.00 -0.73 0.00 0.00 179.01 178.85 1pkx h ALA 350 N 1.09 1.06 -0.47 2.92 0.00 -1.44 -2.13 119.26 120.28 1pkx h ALA 350 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1pkx h ALA 350 Cb 0.97 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1pkx h ALA 350 CO 0.09 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 1pkx h LEU 351 N 0.81 0.83 -1.00 0.00 5.85 -0.72 -1.51 115.31 119.56 1pkx h LEU 351 Ca 0.16 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1pkx h LEU 351 Cb 0.45 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1pkx h LEU 351 CO 0.02 0.95 -0.48 0.00 -0.34 0.00 0.00 178.44 178.58 1pkx h THR 352 N 0.69 1.27 0.03 1.05 1.03 -1.33 -0.40 112.91 115.26 1pkx h THR 352 Ca 0.13 -1.68 -0.00 0.00 -0.01 0.00 0.00 66.41 64.85 1pkx h THR 352 Cb 0.53 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 1pkx h THR 352 CO 0.03 0.47 -0.02 0.40 -0.01 0.00 0.00 175.52 176.39 1pkx h ILE 353 N 0.00 1.26 -0.77 0.00 2.04 -1.18 -3.23 117.51 115.63 1pkx h ILE 353 Ca -0.00 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1pkx h ILE 353 Cb 0.89 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1pkx h ILE 353 CO 0.06 0.24 0.31 -0.07 0.00 0.00 0.00 178.15 178.70 1pkx h LEU 354 N -0.46 1.06 -2.50 1.44 3.38 -1.14 -3.07 115.31 114.02 1pkx h LEU 354 Ca -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pkx h LEU 354 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pkx h LEU 354 CO 0.01 0.94 -0.02 0.28 0.09 0.00 0.00 178.44 179.74 1pkx h SER 355 N 1.11 0.00 1.41 -0.43 0.02 -1.13 -2.18 113.55 112.35 1pkx h SER 355 Ca 0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1pkx h SER 355 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1pkx h SER 355 CO -0.02 0.02 -0.28 0.11 -1.14 0.00 0.00 176.83 175.52 1pkx h LYS 356 N 0.00 0.00 -6.92 3.45 6.56 -1.55 -3.32 116.57 114.79 1pkx h LYS 356 Ca -0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1pkx h LYS 356 Cb 0.08 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 31.91 1pkx h LYS 356 CO 0.00 0.28 0.18 1.63 -2.06 0.00 0.00 179.45 179.49 1pkx n LYS 357 N -3.24 0.80 -3.76 3.15 5.02 -0.82 -2.03 118.16 117.29 1pkx n LYS 357 Ca 0.02 0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 56.41 1pkx n LYS 357 Cb 0.57 -2.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.45 -4.64 -3.57 1.97 5.02 -1.26 -1.78 118.16 112.45 1pkx n LYS 358 Ca 0.14 0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 56.75 1pkx n LYS 358 Cb 0.48 -5.07 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 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 -3.73 0.00 4.39 5.15 -1.17 -1.16 115.26 115.71 1pkx n ASN 359 Ca -0.29 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1pkx n ASN 359 Cb 0.67 -3.07 0.00 0.00 -0.53 0.00 0.00 39.78 36.86 1pkx n ASN 359 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pkx n GLY 360 N -1.25 0.72 1.00 8.20 0.00 -0.73 -4.96 105.19 108.16 1pkx n GLY 360 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 3.14 -4.68 1.61 3.02 -0.31 -4.45 115.26 113.60 1pkx n ASN 361 Ca 0.00 -1.95 -0.46 0.00 -0.03 0.00 0.00 54.58 52.14 1pkx n ASN 361 Cb 0.00 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 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 1.33 2.34 -2.16 3.10 9.36 -0.94 -4.20 117.16 126.00 1pkx n TYR 362 Ca 0.16 0.12 -0.43 0.00 3.32 0.00 0.00 57.90 61.07 1pkx n TYR 362 Cb 0.57 -2.61 -0.02 0.00 -0.63 0.00 0.00 39.34 36.64 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 5.04 1.99 -0.05 0.00 1.01 -0.45 -1.59 120.40 126.35 1pkx s VAL 364 Ca 0.69 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1pkx s VAL 364 Cb -0.24 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1pkx s VAL 364 CO 0.28 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 174.91 1pkx s LEU 365 N 1.21 2.12 -0.21 3.92 1.43 0.10 -0.99 118.68 126.26 1pkx s LEU 365 Ca 0.02 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1pkx s LEU 365 Cb -0.14 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1pkx s LEU 365 CO -0.10 0.27 -0.00 -1.58 0.23 0.00 0.00 176.35 175.16 1pkx s GLN 366 N -0.30 3.56 -0.13 1.70 0.74 -0.48 -1.56 119.66 123.19 1pkx s GLN 366 Ca 0.01 -0.54 -0.05 0.00 0.05 0.00 0.00 55.36 54.82 1pkx s GLN 366 Cb -0.13 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1pkx s GLN 366 CO 0.02 -0.05 0.04 1.41 -0.55 0.00 0.00 175.29 176.17 1pkx s MET 367 N 1.15 3.48 -0.37 1.67 -2.45 0.61 -1.11 119.30 122.27 1pkx s MET 367 Ca 0.03 -0.34 -0.28 0.00 -1.25 0.00 0.00 55.69 53.84 1pkx s MET 367 Cb -0.14 -3.02 -0.01 0.00 1.25 0.00 0.00 34.83 32.90 1pkx s MET 367 CO 0.01 0.53 1.67 0.34 1.05 0.00 0.00 175.02 178.62 1pkx s ASP 368 N -0.37 6.01 0.55 1.11 2.15 -0.49 -4.29 116.67 121.34 1pkx s ASP 368 Ca 0.08 1.09 0.23 0.00 0.43 0.00 0.00 52.55 54.38 1pkx s ASP 368 Cb -0.12 -2.53 1.46 0.00 -0.30 0.00 0.00 42.92 41.43 1pkx s ASP 368 CO 0.02 -1.65 2.13 -0.61 -0.17 0.00 0.00 175.17 174.89 1pkx h GLN 369 N 12.24 0.00 -0.00 4.34 4.15 -1.91 -2.28 115.11 131.65 1pkx h GLN 369 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1pkx h GLN 369 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1pkx h GLN 369 CO 1.06 0.00 -0.22 -1.13 -1.93 0.00 0.00 178.83 176.61 1pkx n SER 370 N -4.25 0.39 -4.72 -0.69 3.41 -1.26 -4.90 113.62 101.60 1pkx n SER 370 Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 1pkx n SER 370 Cb 0.23 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.80 3.25 -0.04 7.33 5.04 -0.86 -5.02 117.35 124.24 1pkx s TYR 371 Ca 0.18 1.03 0.04 0.00 -2.44 0.00 0.00 57.07 55.89 1pkx s TYR 371 Cb 0.19 -3.66 -0.00 0.00 0.35 0.00 0.00 41.96 38.84 1pkx s TYR 371 CO 0.57 -2.23 -0.15 0.15 -1.34 0.00 0.00 175.55 172.55 1pkx s LYS 372 N 0.75 1.59 0.61 4.97 1.02 -1.26 -5.06 119.74 122.36 1pkx s LYS 372 Ca 0.62 -0.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.90 1pkx s LYS 372 Cb -0.37 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1pkx s LYS 372 CO 0.33 0.22 1.09 -1.25 -0.92 0.00 0.00 175.35 174.82 1pkx s PRO 373 N 0.04 3.12 0.63 -1.68 0.04 -1.26 -5.03 135.00 130.86 1pkx s PRO 373 Ca -0.03 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1pkx s PRO 373 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1pkx s PRO 373 CO 0.02 -0.99 1.14 -0.51 0.04 0.00 0.00 177.00 176.69 1pkx s ASP 374 N -2.54 5.17 0.24 6.66 1.01 -1.26 -4.94 116.67 121.01 1pkx s ASP 374 Ca 0.66 2.13 -0.02 0.00 0.71 0.00 0.00 52.55 56.03 1pkx s ASP 374 Cb -0.19 -2.57 0.28 0.00 1.01 0.00 0.00 42.92 41.45 1pkx s ASP 374 CO 0.37 -1.60 1.69 -0.33 0.21 0.00 0.00 175.17 175.52 1pkx h GLU 375 N 0.38 0.74 -6.20 8.23 5.08 -1.97 -3.45 114.58 117.40 1pkx h GLU 375 Ca -0.48 -0.25 -0.58 0.00 -1.00 0.00 0.00 59.36 57.05 1pkx h GLU 375 Cb 1.26 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1pkx h GLU 375 CO 0.54 0.84 -0.07 1.21 -1.00 0.00 0.00 179.01 180.54 1pkx s ASN 376 N -6.72 7.01 0.02 1.42 3.84 -1.26 -0.12 114.94 119.13 1pkx s ASN 376 Ca -0.09 1.20 0.03 0.00 0.21 0.00 0.00 52.86 54.21 1pkx s ASN 376 Cb 0.14 -2.34 -0.02 0.00 -0.55 0.00 0.00 41.25 38.49 1pkx s ASN 376 CO 0.82 0.28 -0.09 -1.83 -2.79 0.00 0.00 177.10 173.49 1pkx s GLU 377 N -1.13 0.65 0.10 0.43 -1.05 0.33 -4.88 118.70 113.15 1pkx s GLU 377 Ca 0.28 -0.53 0.08 0.00 -0.15 0.00 0.00 54.97 54.65 1pkx s GLU 377 Cb -0.19 -0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.89 1pkx s GLU 377 CO 0.18 0.14 -0.21 0.54 0.95 0.00 0.00 175.26 176.86 1pkx s VAL 378 N -0.70 1.74 0.03 1.83 0.11 -1.26 -1.03 120.40 121.12 1pkx s VAL 378 Ca -0.01 -1.56 -0.03 0.00 -2.93 0.00 0.00 61.98 57.44 1pkx s VAL 378 Cb -0.06 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1pkx s VAL 378 CO 0.00 -0.06 0.04 0.00 -3.33 0.00 0.00 175.10 171.76 1pkx s ARG 379 N -1.93 0.49 -0.17 1.54 1.70 -0.06 -4.99 118.95 115.54 1pkx s ARG 379 Ca 0.07 -0.76 -0.04 0.00 -0.47 0.00 0.00 55.73 54.54 1pkx s ARG 379 Cb -0.10 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1pkx s ARG 379 CO 0.04 -0.11 -0.04 0.99 -1.08 0.00 0.00 175.30 175.11 1pkx s THR 380 N -2.36 3.79 -0.10 4.99 2.01 -1.26 -0.96 115.64 121.74 1pkx s THR 380 Ca -0.07 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1pkx s THR 380 Cb -0.03 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1pkx s THR 380 CO -0.04 0.48 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.09 1pkx s LEU 381 N 0.60 1.07 -1.47 4.42 2.96 -0.37 -4.79 118.68 121.09 1pkx s LEU 381 Ca -0.03 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1pkx s LEU 381 Cb -0.14 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 45.84 1pkx s LEU 381 CO 0.02 -0.13 0.66 0.33 -1.32 0.00 0.00 176.35 175.92 1pkx n PHE 382 N 4.96 -1.86 -0.21 5.38 7.35 -1.26 -1.14 117.46 130.69 1pkx n PHE 382 Ca -0.12 0.81 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1pkx n PHE 382 Cb 0.50 -3.78 0.00 0.00 0.35 0.00 0.00 39.48 36.56 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 -1.73 2.00 3.98 7.13 0.00 -1.26 -5.00 105.19 110.32 1pkx n GLY 383 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 3.83 -0.13 0.99 1.43 -0.29 -5.08 118.68 119.44 1pkx s LEU 384 Ca 0.00 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1pkx s LEU 384 Cb 0.00 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1pkx s LEU 384 CO 0.00 -0.56 -0.19 -1.00 0.23 0.00 0.00 176.35 174.83 1pkx s HIS 385 N -2.31 2.68 -0.23 0.29 3.76 -1.26 -1.24 115.29 116.99 1pkx s HIS 385 Ca 0.47 -1.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.31 1pkx s HIS 385 Cb -0.10 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 1pkx s HIS 385 CO 0.33 -0.43 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.27 1pkx s LEU 386 N 0.55 3.04 0.03 0.89 1.43 -0.14 -4.97 118.68 119.51 1pkx s LEU 386 Ca -0.12 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1pkx s LEU 386 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1pkx s LEU 386 CO 0.04 -0.02 -0.17 -0.55 0.23 0.00 0.00 176.35 175.88 1pkx s SER 387 N 1.52 3.89 0.08 2.29 0.15 -1.26 -0.88 113.70 119.49 1pkx s SER 387 Ca 0.06 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.07 1pkx s SER 387 Cb -0.14 -0.67 0.08 0.00 -1.71 0.00 0.00 66.02 63.57 1pkx s SER 387 CO -0.01 0.27 0.89 0.00 1.20 0.00 0.00 173.24 175.58 1pkx s GLN 388 N -1.36 1.05 0.18 5.44 -2.07 -0.20 -5.00 119.66 117.70 1pkx s GLN 388 Ca 0.15 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.90 1pkx s GLN 388 Cb -0.11 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.16 1pkx s GLN 388 CO 0.05 -0.47 1.02 0.21 -1.32 0.00 0.00 175.29 174.78 1pkx s LYS 389 N -3.27 4.69 1.04 9.60 2.20 -1.26 -0.52 119.74 132.23 1pkx s LYS 389 Ca 0.08 1.58 -0.12 0.00 -0.36 0.00 0.00 55.97 57.15 1pkx s LYS 389 Cb -0.01 -3.30 0.21 0.00 -1.51 0.00 0.00 37.83 33.22 1pkx s LYS 389 CO -0.04 0.24 1.07 -0.98 -0.36 0.00 0.00 175.35 175.28 1pkx s ARG 390 N -0.52 0.06 -0.90 4.03 1.70 0.83 -4.87 118.95 119.28 1pkx s ARG 390 Ca 0.46 0.74 -0.22 0.00 -0.47 0.00 0.00 55.73 56.23 1pkx s ARG 390 Cb -0.27 -1.68 0.07 0.00 -0.57 0.00 0.00 34.95 32.51 1pkx s ARG 390 CO 0.33 -3.04 1.27 1.21 -1.08 0.00 0.00 175.30 173.99 1pkx s ASN 391 N -3.06 6.44 -0.43 -2.89 3.84 -1.26 -4.80 114.94 112.77 1pkx s ASN 391 Ca 0.66 -1.39 0.05 0.00 0.21 0.00 0.00 52.86 52.39 1pkx s ASN 391 Cb -0.21 -2.50 0.61 0.00 -0.55 0.00 0.00 41.25 38.60 1pkx s ASN 391 CO 0.60 -1.43 1.82 0.59 -2.79 0.00 0.00 177.10 175.88 1pkx n ASN 392 N 8.18 3.80 -4.75 -4.21 3.02 -1.26 -5.00 115.26 115.04 1pkx n ASN 392 Ca 0.21 -3.67 -0.41 0.00 -0.03 0.00 0.00 54.58 50.67 1pkx n ASN 392 Cb 0.49 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1pkx n ASN 392 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pkx s GLY 393 N -1.67 2.38 -0.09 7.41 0.00 -1.26 -4.96 107.32 109.12 1pkx s GLY 393 Ca 0.55 1.45 -0.16 0.00 0.00 0.00 0.00 44.72 46.56 1pkx s GLY 393 CO 0.07 2.36 0.40 0.14 0.00 0.00 0.00 173.10 176.07 1pkx s VAL 394 N -0.26 5.18 -0.44 1.40 1.01 -1.26 -5.04 120.40 120.98 1pkx s VAL 394 Ca 0.59 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 1pkx s VAL 394 Cb -0.45 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.32 1pkx s VAL 394 CO 0.49 0.42 0.26 -0.69 0.00 0.00 0.00 175.10 175.58 1pkx s VAL 395 N 0.04 3.55 0.19 2.92 1.01 -1.26 -4.83 120.40 122.02 1pkx s VAL 395 Ca 0.22 -2.08 0.04 0.00 0.00 0.00 0.00 61.98 60.17 1pkx s VAL 395 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1pkx s VAL 395 CO 0.09 -0.73 0.16 -0.90 0.00 0.00 0.00 175.10 173.72 1pkx n ASP 396 N 4.57 -0.37 -0.32 3.32 5.68 -1.26 -4.82 116.55 123.35 1pkx n ASP 396 Ca -0.03 -2.25 -0.02 0.00 -0.50 0.00 0.00 54.79 51.99 1pkx n ASP 396 Cb 0.41 0.95 0.13 0.00 -1.14 0.00 0.00 41.12 41.46 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 1.21 -0.85 0.11 5.09 -1.96 -2.73 116.57 117.45 1pkx h LYS 397 Ca -0.13 -0.11 0.13 0.00 0.09 0.00 0.00 60.65 60.62 1pkx h LYS 397 Cb 0.68 -0.25 -0.09 0.00 0.10 0.00 0.00 32.23 32.67 1pkx h LYS 397 CO 0.20 0.85 0.46 0.77 -2.09 0.00 0.00 179.45 179.64 1pkx h SER 398 N 1.23 0.60 -0.87 7.07 0.02 -1.98 -1.72 113.55 117.90 1pkx h SER 398 Ca 0.32 0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.50 1pkx h SER 398 Cb -0.04 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 1pkx h SER 398 CO -0.06 0.29 0.57 0.25 -1.14 0.00 0.00 176.83 176.74 1pkx h LEU 399 N 0.70 0.55 -1.54 5.07 5.85 -1.80 -0.22 115.31 123.92 1pkx h LEU 399 Ca 0.44 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1pkx h LEU 399 Cb 0.55 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1pkx h LEU 399 CO -0.32 0.26 0.00 0.49 -0.34 0.00 0.00 178.44 178.54 1pkx n PHE 400 N -4.54 0.34 0.97 1.25 3.72 -0.66 -4.39 117.46 114.15 1pkx n PHE 400 Ca 0.18 -0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1pkx n PHE 400 Cb 0.54 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.74 0.00 -3.86 4.37 3.41 -0.10 -4.09 113.62 114.10 1pkx n SER 401 Ca 0.17 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1pkx n SER 401 Cb 0.42 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.27 6.30 -4.69 4.04 4.05 -1.26 -4.98 115.26 117.45 1pkx n ASN 402 Ca 0.10 -3.33 -0.42 0.00 0.45 0.00 0.00 54.58 51.37 1pkx n ASN 402 Cb 0.16 -1.33 -0.03 0.00 1.23 0.00 0.00 39.78 39.81 1pkx n ASN 402 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1pkx s VAL 403 N -1.87 4.03 -1.40 3.44 1.01 -1.26 -2.42 120.40 121.94 1pkx s VAL 403 Ca 0.37 1.38 0.18 0.00 0.00 0.00 0.00 61.98 63.90 1pkx s VAL 403 Cb 0.10 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1pkx s VAL 403 CO 0.03 -0.00 0.86 0.55 0.00 0.00 0.00 175.10 176.54 1pkx n VAL 404 N 4.64 0.00 -2.15 2.92 3.14 -0.36 -4.94 118.33 121.57 1pkx n VAL 404 Ca 0.12 -0.25 -0.26 0.00 -2.96 0.00 0.00 64.34 60.98 1pkx n VAL 404 Cb 0.45 1.15 0.08 0.00 -1.06 0.00 0.00 33.84 34.46 1pkx n VAL 404 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1pkx s THR 405 N -2.21 2.21 -1.39 1.55 -4.23 -1.25 -4.95 115.64 105.37 1pkx s THR 405 Ca 0.12 -0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.32 1pkx s THR 405 Cb 0.14 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1pkx s THR 405 CO 0.52 0.00 2.28 2.29 -0.54 0.00 0.00 174.62 179.17 1pkx n LYS 406 N -3.01 3.80 0.00 3.99 0.00 -1.26 -4.30 118.16 117.38 1pkx n LYS 406 Ca 0.08 -3.12 0.00 0.00 -0.00 0.00 0.00 58.31 55.28 1pkx n LYS 406 Cb 0.61 -2.88 0.00 0.00 -0.00 0.00 0.00 35.03 32.76 1pkx n LYS 406 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pkx n ASN 407 N 3.54 0.00 -1.29 -5.58 4.05 -1.26 -5.03 115.26 109.68 1pkx n ASN 407 Ca 0.56 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.67 1pkx n ASN 407 Cb 0.31 0.00 0.31 0.00 1.23 0.00 0.00 39.78 41.63 1pkx n ASN 407 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1pkx n LYS 408 N 0.00 3.63 -2.99 1.20 5.02 -1.26 -4.78 118.16 118.98 1pkx n LYS 408 Ca 0.00 -2.84 -0.43 0.00 -2.02 0.00 0.00 58.31 53.02 1pkx n LYS 408 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 1pkx n LYS 408 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1pkx s ASP 409 N -1.27 6.34 -0.41 4.39 -4.77 -1.26 -4.96 116.67 114.73 1pkx s ASP 409 Ca 0.45 -0.35 -0.11 0.00 -3.30 0.00 0.00 52.55 49.24 1pkx s ASP 409 Cb 0.33 -2.37 0.06 0.00 -1.09 0.00 0.00 42.92 39.85 1pkx s ASP 409 CO 0.16 -0.97 0.27 -0.22 0.70 0.00 0.00 175.17 175.10 1pkx s LEU 410 N 3.28 5.10 0.58 2.11 2.96 -1.26 -5.04 118.68 126.41 1pkx s LEU 410 Ca 0.26 -1.26 -0.18 0.00 -0.22 0.00 0.00 54.13 52.73 1pkx s LEU 410 Cb -0.14 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 1pkx s LEU 410 CO 0.19 -0.50 0.78 -2.65 -1.32 0.00 0.00 176.35 172.85 1pkx n PRO 411 N 5.02 0.73 -0.31 0.98 -0.02 -1.26 -4.71 135.00 135.43 1pkx n PRO 411 Ca -0.11 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1pkx n PRO 411 Cb 0.44 -1.96 0.30 0.00 -0.02 0.00 0.00 33.50 32.26 1pkx n PRO 411 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pkx h GLU 412 N 0.39 0.84 -0.24 -0.52 4.39 -1.99 -0.51 114.58 116.95 1pkx h GLU 412 Ca -0.47 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.05 1pkx h GLU 412 Cb 1.38 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pkx h GLU 412 CO 0.49 0.56 -0.40 0.66 -1.16 0.00 0.00 179.01 179.16 1pkx h SER 413 N 0.87 0.59 -0.56 1.42 4.64 -2.00 -1.96 113.55 116.56 1pkx h SER 413 Ca 0.45 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1pkx h SER 413 Cb 0.52 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1pkx h SER 413 CO -0.21 0.93 -0.07 0.00 -0.87 0.00 0.00 176.83 176.61 1pkx h ALA 414 N 1.10 0.80 -0.37 5.18 0.00 -1.53 -1.88 119.26 122.56 1pkx h ALA 414 Ca 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1pkx h ALA 414 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1pkx h ALA 414 CO 0.08 0.67 -0.06 1.25 0.00 0.00 0.00 179.25 181.19 1pkx h LEU 415 N 0.93 0.59 -0.13 0.00 5.85 -0.96 -0.88 115.31 120.71 1pkx h LEU 415 Ca 0.15 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1pkx h LEU 415 Cb 0.63 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1pkx h LEU 415 CO 0.04 0.70 0.03 -0.09 -0.34 0.00 0.00 178.44 178.78 1pkx h ARG 416 N 0.57 0.21 0.00 1.25 2.43 -1.01 -2.13 114.38 115.69 1pkx h ARG 416 Ca 0.11 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1pkx h ARG 416 Cb 0.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1pkx h ARG 416 CO 0.02 0.39 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.15 1pkx h ASP 417 N -0.00 0.00 0.52 -3.80 3.32 -1.07 -1.50 116.42 113.88 1pkx h ASP 417 Ca 0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 1pkx h ASP 417 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1pkx h ASP 417 CO 0.00 0.28 -0.94 -0.07 -1.72 0.00 0.00 179.24 176.79 1pkx h LEU 418 N 0.00 0.36 -0.39 1.55 3.38 -1.10 -1.55 115.31 117.56 1pkx h LEU 418 Ca -0.00 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1pkx h LEU 418 Cb 0.69 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1pkx h LEU 418 CO 0.04 1.12 -0.27 0.40 0.09 0.00 0.00 178.44 179.81 1pkx h ILE 419 N 0.14 1.28 -0.22 1.22 2.04 -0.95 -0.31 117.51 120.71 1pkx h ILE 419 Ca -0.07 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1pkx h ILE 419 Cb 1.59 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1pkx h ILE 419 CO 0.15 0.48 0.07 0.58 0.00 0.00 0.00 178.15 179.43 1pkx h VAL 420 N 0.68 1.19 -0.61 1.67 2.07 -1.27 -1.75 116.25 118.24 1pkx h VAL 420 Ca 0.08 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1pkx h VAL 420 Cb 0.85 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1pkx h VAL 420 CO 0.07 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.97 1pkx h ALA 421 N 0.90 1.06 -0.19 1.67 0.00 -1.21 -1.69 119.26 119.79 1pkx h ALA 421 Ca 0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1pkx h ALA 421 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pkx h ALA 421 CO -0.00 0.61 -0.55 1.15 0.00 0.00 0.00 179.25 180.46 1pkx h THR 422 N 0.92 1.31 -0.34 0.00 2.02 -0.99 -1.52 112.91 114.30 1pkx h THR 422 Ca 0.19 -1.77 -0.10 0.00 0.77 0.00 0.00 66.41 65.50 1pkx h THR 422 Cb 0.38 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1pkx h THR 422 CO 0.01 0.56 -0.19 0.40 0.37 0.00 0.00 175.52 176.66 1pkx h ILE 423 N 0.42 1.26 -0.03 3.11 2.04 -1.28 -1.78 117.51 121.25 1pkx h ILE 423 Ca -0.01 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1pkx h ILE 423 Cb 1.17 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1pkx h ILE 423 CO 0.12 0.41 0.02 0.00 0.00 0.00 0.00 178.15 178.69 1pkx h ALA 424 N 1.22 0.04 -0.19 1.87 0.00 -1.17 -2.47 119.26 118.55 1pkx h ALA 424 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pkx h ALA 424 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pkx h ALA 424 CO 0.05 -0.46 -0.06 -0.39 0.00 0.00 0.00 179.25 178.39 1pkx h VAL 425 N 0.03 1.16 -0.21 0.00 -1.51 -1.09 -1.11 116.25 113.52 1pkx h VAL 425 Ca 0.01 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.87 1pkx h VAL 425 Cb 0.01 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1pkx h VAL 425 CO -0.00 0.22 0.20 0.50 -1.23 0.00 0.00 177.57 177.25 1pkx h LYS 426 N 0.28 0.00 -0.13 5.19 3.64 -0.85 -1.74 116.57 122.96 1pkx h LYS 426 Ca 0.06 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1pkx h LYS 426 Cb 0.30 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1pkx h LYS 426 CO 0.01 0.00 -0.24 0.66 -2.27 0.00 0.00 179.45 177.61 1pkx n TYR 427 N -3.98 0.43 -4.76 1.91 4.01 -0.45 -4.78 117.16 109.54 1pkx n TYR 427 Ca 0.02 -1.40 -0.33 0.00 -0.16 0.00 0.00 57.90 56.03 1pkx n TYR 427 Cb 0.33 -0.32 -0.13 0.00 -0.31 0.00 0.00 39.34 38.91 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 -3.15 3.21 0.29 -0.72 2.01 -0.65 -4.29 115.64 112.34 1pkx s THR 428 Ca 0.39 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 1pkx s THR 428 Cb 0.36 -2.32 -0.12 0.00 0.01 0.00 0.00 72.50 70.43 1pkx s THR 428 CO -0.02 0.55 1.49 0.00 -0.69 0.00 0.00 174.62 175.95 1pkx n GLN 429 N 3.03 2.43 -2.29 4.92 1.13 -1.26 -4.43 117.38 120.91 1pkx n GLN 429 Ca -0.18 0.86 -0.32 0.00 -1.94 0.00 0.00 57.00 55.42 1pkx n GLN 429 Cb 0.53 -2.58 -0.02 0.00 0.11 0.00 0.00 30.24 28.27 1pkx n GLN 429 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1pkx s SER 430 N 0.27 6.52 0.70 1.08 0.01 -0.51 -1.12 113.70 120.66 1pkx s SER 430 Ca 0.63 1.55 -0.11 0.00 1.31 0.00 0.00 55.95 59.33 1pkx s SER 430 Cb -0.55 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.19 1pkx s SER 430 CO 0.52 -0.66 1.09 0.54 0.41 0.00 0.00 173.24 175.14 1pkx s ASN 431 N -3.25 5.46 0.00 2.44 6.03 -0.56 -3.32 114.94 121.75 1pkx s ASN 431 Ca 0.58 1.12 0.00 0.00 -1.03 0.00 0.00 52.86 53.54 1pkx s ASN 431 Cb -0.10 -1.93 -0.00 0.00 -3.03 0.00 0.00 41.25 36.19 1pkx s ASN 431 CO 0.35 -1.33 -0.01 -0.44 -2.03 0.00 0.00 177.10 173.65 1pkx s SER 432 N -4.36 0.10 -0.04 3.54 0.01 -1.26 -2.37 113.70 109.32 1pkx s SER 432 Ca 0.58 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 1pkx s SER 432 Cb -0.11 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.15 1pkx s SER 432 CO 0.52 -0.04 0.08 -0.69 0.41 0.00 0.00 173.24 173.52 1pkx s VAL 433 N -0.22 -0.04 -0.05 3.43 1.01 -1.14 -1.62 120.40 121.77 1pkx s VAL 433 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1pkx s VAL 433 Cb -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1pkx s VAL 433 CO -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 175.10 175.06 1pkx s TYR 435 N 0.51 3.45 0.05 0.00 1.51 0.24 -1.75 117.35 121.36 1pkx s TYR 435 Ca -0.09 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1pkx s TYR 435 Cb -0.13 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1pkx s TYR 435 CO 0.02 0.46 -0.06 0.00 -1.11 0.00 0.00 175.55 174.85 1pkx s ALA 436 N -0.24 0.58 -0.27 3.71 0.00 0.26 -0.53 121.76 125.27 1pkx s ALA 436 Ca 0.10 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1pkx s ALA 436 Cb -0.12 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1pkx s ALA 436 CO 0.01 -0.11 0.78 0.21 0.00 0.00 0.00 175.76 176.65 1pkx s LYS 437 N -2.20 0.77 -1.36 0.00 2.20 -0.33 -0.79 119.74 118.03 1pkx s LYS 437 Ca -0.05 0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 56.42 1pkx s LYS 437 Cb -0.06 0.37 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1pkx s LYS 437 CO -0.02 -0.09 1.01 0.09 -0.36 0.00 0.00 175.35 175.98 1pkx n ASN 438 N 2.64 -4.11 -0.46 1.43 3.02 -1.26 -2.43 115.26 114.09 1pkx n ASN 438 Ca -0.14 -0.67 -0.06 0.00 -0.03 0.00 0.00 54.58 53.69 1pkx n ASN 438 Cb 0.55 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 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 -1.66 0.76 3.09 7.41 0.00 -1.26 -4.77 105.19 108.77 1pkx n GLY 439 Ca -0.11 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.09 0.57 0.11 1.61 -2.07 -1.02 -0.94 119.66 115.83 1pkx s GLN 440 Ca 0.00 -0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 52.34 1pkx s GLN 440 Cb 0.00 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 32.07 1pkx s GLN 440 CO 0.00 -0.13 1.17 0.08 -1.32 0.00 0.00 175.29 175.09 1pkx s VAL 441 N -2.95 3.93 -0.06 3.63 1.01 -0.20 -1.19 120.40 124.56 1pkx s VAL 441 Ca -0.02 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1pkx s VAL 441 Cb 0.01 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1pkx s VAL 441 CO -0.06 0.17 0.07 2.30 0.00 0.00 0.00 175.10 177.57 1pkx n ILE 442 N 3.30 0.00 -3.60 2.22 -5.35 0.31 -4.70 119.36 111.55 1pkx n ILE 442 Ca 0.07 -0.35 -0.02 0.00 -0.27 0.00 0.00 62.75 62.17 1pkx n ILE 442 Cb 0.46 0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 39.17 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 -1.43 -0.48 0.01 3.28 0.00 -1.02 -3.24 107.32 104.44 1pkx s GLY 443 Ca 0.00 2.64 0.00 0.00 0.00 0.00 0.00 44.72 47.37 1pkx s GLY 443 CO 0.07 2.85 -0.03 -1.50 0.00 0.00 0.00 173.10 174.50 1pkx s ILE 444 N 2.23 0.14 -0.02 0.90 2.07 -1.26 0.81 121.20 126.07 1pkx s ILE 444 Ca -0.07 -0.57 0.05 0.00 -1.41 0.00 0.00 60.65 58.65 1pkx s ILE 444 Cb -0.08 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1pkx s ILE 444 CO -0.18 -0.27 -0.17 -0.83 -1.91 0.00 0.00 174.94 171.57 1pkx s GLY 445 N -0.88 0.86 0.06 1.50 0.00 -0.58 -4.57 107.32 103.71 1pkx s GLY 445 Ca -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1pkx s GLY 445 CO -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 173.10 172.49 1pkx s ALA 446 N -0.30 0.61 -0.19 3.20 0.00 -1.26 -2.87 121.76 120.94 1pkx s ALA 446 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1pkx s ALA 446 Cb -0.08 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1pkx s ALA 446 CO -0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1pkx n GLY 447 N 0.57 0.34 3.86 0.00 0.00 -0.27 -4.86 105.19 104.82 1pkx n GLY 447 Ca -0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.55 1.82 0.00 1.61 -1.52 -1.21 -4.46 119.66 114.34 1pkx s GLN 448 Ca 0.00 0.24 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 1pkx s GLN 448 Cb 0.00 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 1pkx s GLN 448 CO 0.00 -1.72 0.21 1.04 -0.25 0.00 0.00 175.29 174.57 1pkx n GLN 449 N -3.43 3.37 -4.48 2.91 6.02 -1.26 -1.49 117.38 119.02 1pkx n GLN 449 Ca 0.07 -0.21 -0.23 0.00 -0.01 0.00 0.00 57.00 56.63 1pkx n GLN 449 Cb 0.60 -0.69 -0.16 0.00 1.02 0.00 0.00 30.24 31.00 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 -0.54 1.50 0.10 1.08 0.15 -1.26 -5.06 113.70 109.67 1pkx s SER 450 Ca 0.00 -0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.16 1pkx s SER 450 Cb 0.00 -0.62 -0.12 0.00 -1.71 0.00 0.00 66.02 63.57 1pkx s SER 450 CO 0.00 0.03 1.69 -0.09 1.20 0.00 0.00 173.24 176.08 1pkx h ARG 451 N 6.81 -0.24 -0.46 5.44 9.65 -1.97 -2.32 114.38 131.30 1pkx h ARG 451 Ca -0.33 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1pkx h ARG 451 Cb 1.18 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 1pkx h ARG 451 CO 0.48 -0.16 0.30 0.97 2.80 0.00 0.00 179.97 184.36 1pkx h ILE 452 N -0.24 1.12 -0.60 1.20 6.09 -1.98 -1.76 117.51 121.33 1pkx h ILE 452 Ca 0.01 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.24 1pkx h ILE 452 Cb 0.24 0.45 -0.03 0.00 0.47 0.00 0.00 36.82 37.95 1pkx h ILE 452 CO -0.04 0.12 0.31 0.45 -3.07 0.00 0.00 178.15 175.92 1pkx h HIS 453 N 0.63 0.85 -0.21 2.19 3.86 -1.91 -0.94 115.15 119.61 1pkx h HIS 453 Ca 0.17 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1pkx h HIS 453 Cb -0.06 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1pkx h HIS 453 CO 0.00 0.64 -0.30 0.00 0.86 0.00 0.00 177.93 179.13 1pkx h THR 455 N 0.37 1.27 -0.14 0.00 2.02 -0.82 -1.25 112.91 114.35 1pkx h THR 455 Ca 0.05 -1.33 -0.18 0.00 0.77 0.00 0.00 66.41 65.73 1pkx h THR 455 Cb 0.72 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1pkx h THR 455 CO 0.05 0.43 -0.60 0.03 0.37 0.00 0.00 175.52 175.81 1pkx h ARG 456 N 0.55 0.65 -0.57 6.66 3.08 -0.89 -1.70 114.38 122.18 1pkx h ARG 456 Ca 0.08 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 1pkx h ARG 456 Cb 0.72 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1pkx h ARG 456 CO 0.06 1.13 0.14 1.25 -1.07 0.00 0.00 179.97 181.48 1pkx h LEU 457 N 0.32 0.86 -0.73 3.04 6.46 -1.15 -0.94 115.31 123.16 1pkx h LEU 457 Ca -0.03 -0.23 -0.13 0.00 -0.12 0.00 0.00 57.88 57.36 1pkx h LEU 457 Cb 1.23 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1pkx h LEU 457 CO 0.12 0.87 -0.59 0.00 -0.62 0.00 0.00 178.44 178.22 1pkx h ALA 458 N 1.02 0.94 -0.56 1.25 0.00 -1.26 -2.88 119.26 117.77 1pkx h ALA 458 Ca 0.18 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1pkx h ALA 458 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pkx h ALA 458 CO 0.00 0.73 -0.09 0.78 0.00 0.00 0.00 179.25 180.67 1pkx h GLY 459 N 1.61 1.14 1.02 0.00 0.00 -0.90 -2.38 103.07 103.56 1pkx h GLY 459 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.36 1pkx h GLY 459 CO 0.09 0.83 0.20 -0.55 0.00 0.00 0.00 176.54 177.10 1pkx h ASP 460 N 0.94 0.91 -0.57 0.19 3.32 -1.05 -0.44 116.42 119.72 1pkx h ASP 460 Ca 0.15 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1pkx h ASP 460 Cb 0.66 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1pkx h ASP 460 CO 0.05 0.88 0.23 0.11 -1.72 0.00 0.00 179.24 178.78 1pkx h LYS 461 N 0.90 0.90 -0.44 3.56 1.57 -1.40 -0.66 116.57 121.00 1pkx h LYS 461 Ca 0.20 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1pkx h LYS 461 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1pkx h LYS 461 CO -0.01 0.75 0.28 0.00 -0.57 0.00 0.00 179.45 179.90 1pkx h ALA 462 N 1.37 0.56 -0.69 3.86 0.00 -0.84 -0.86 119.26 122.65 1pkx h ALA 462 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pkx h ALA 462 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pkx h ALA 462 CO -0.02 0.03 0.39 -0.91 0.00 0.00 0.00 179.25 178.74 1pkx h ASN 463 N 0.58 0.85 -0.57 0.00 2.35 -0.32 -0.77 115.58 117.70 1pkx h ASN 463 Ca 0.16 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1pkx h ASN 463 Cb -0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1pkx h ASN 463 CO -0.03 0.68 0.07 1.88 -1.65 0.00 0.00 177.43 178.38 1pkx h TYR 464 N 0.94 1.06 -0.33 1.19 0.99 -0.86 0.22 116.97 120.19 1pkx h TYR 464 Ca 0.24 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1pkx h TYR 464 Cb 0.01 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.43 1pkx h TYR 464 CO -0.01 0.92 0.17 2.35 -0.00 0.00 0.00 178.16 181.59 1pkx h TRP 465 N 0.93 0.46 -0.59 4.88 7.01 -0.79 -2.48 115.95 125.37 1pkx h TRP 465 Ca 0.18 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 1pkx h TRP 465 Cb 0.45 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1pkx h TRP 465 CO 0.03 0.38 -0.01 2.35 -2.79 0.00 0.00 178.44 178.39 1pkx h TRP 466 N 0.41 1.13 0.00 2.65 -0.00 -0.75 -2.64 115.95 116.75 1pkx h TRP 466 Ca 0.12 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.89 58.80 1pkx h TRP 466 Cb 0.08 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 28.94 1pkx h TRP 466 CO -0.03 1.00 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.32 1pkx h LEU 467 N 0.94 0.00 0.00 0.65 3.38 -0.35 -0.01 115.31 119.93 1pkx h LEU 467 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pkx h LEU 467 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pkx h LEU 467 CO 0.03 0.02 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1pkx n ARG 468 N -4.02 0.13 0.00 1.13 1.74 -0.95 -1.47 116.66 113.22 1pkx n ARG 468 Ca -0.03 0.17 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 1pkx n ARG 468 Cb 0.11 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.38 0.00 -1.70 -1.55 8.25 -0.02 -4.59 115.22 114.23 1pkx n HIS 469 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1pkx n HIS 469 Cb 0.15 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.44 2.34 -0.32 4.41 -0.00 -0.54 -4.75 115.22 115.91 1pkx n HIS 470 Ca 0.10 0.51 0.19 0.00 -0.00 0.00 0.00 57.72 58.52 1pkx n HIS 470 Cb 0.40 -2.44 0.39 0.00 -0.00 0.00 0.00 29.99 28.34 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 2.92 0.26 0.00 1.57 0.11 -1.93 0.34 132.00 135.27 1pkx h PRO 471 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pkx h PRO 471 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pkx h PRO 471 CO 0.65 0.17 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 1pkx n GLN 472 N -5.14 0.24 0.03 1.05 6.02 -1.26 -2.08 117.38 116.24 1pkx n GLN 472 Ca 0.27 0.31 -0.22 0.00 -0.01 0.00 0.00 57.00 57.35 1pkx n GLN 472 Cb 0.85 -1.84 -0.14 0.00 1.02 0.00 0.00 30.24 30.12 1pkx n GLN 472 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1pkx h VAL 473 N 0.00 0.74 0.00 5.09 2.07 -0.69 -3.32 116.25 120.13 1pkx h VAL 473 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1pkx h VAL 473 Cb 0.58 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1pkx h VAL 473 CO 0.00 0.89 0.00 0.18 0.02 0.00 0.00 177.57 178.66 1pkx n LEU 474 N -3.53 0.70 -0.33 2.57 4.77 -0.52 -2.97 117.00 117.70 1pkx n LEU 474 Ca -0.29 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1pkx n LEU 474 Cb 1.06 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1pkx n LEU 474 CO 0.46 -0.44 0.27 -1.54 -1.33 0.00 0.00 177.39 174.81 1pkx n SER 475 N -2.24 1.60 -4.60 -1.43 3.41 -0.88 -4.99 113.62 104.49 1pkx n SER 475 Ca 0.03 -1.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.97 1pkx n SER 475 Cb 0.29 0.55 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 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 -0.51 1.22 -3.64 4.33 2.81 -1.16 -5.01 117.12 115.15 1pkx n MET 476 Ca 0.08 0.44 -0.25 0.00 -1.81 0.00 0.00 57.70 56.17 1pkx n MET 476 Cb 0.42 -2.04 -0.17 0.00 -0.71 0.00 0.00 33.22 30.71 1pkx n MET 476 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1pkx s LYS 477 N -2.15 0.12 0.41 0.03 2.47 -1.26 -5.11 119.74 114.26 1pkx s LYS 477 Ca 0.66 -0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 55.01 1pkx s LYS 477 Cb -0.52 -1.58 -0.04 0.00 -1.46 0.00 0.00 37.83 34.23 1pkx s LYS 477 CO 0.55 -0.59 0.68 -0.06 0.16 0.00 0.00 175.35 176.09 1pkx s PHE 478 N 2.11 3.53 0.64 4.03 0.40 -1.26 -0.05 117.98 127.38 1pkx s PHE 478 Ca 0.02 0.62 -0.14 0.00 -0.60 0.00 0.00 56.93 56.82 1pkx s PHE 478 Cb -0.15 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1pkx s PHE 478 CO -0.08 -0.09 1.08 -1.59 0.70 0.00 0.00 175.22 175.25 1pkx s LYS 479 N -4.49 3.00 -0.01 0.44 0.00 0.24 -4.57 119.74 114.35 1pkx s LYS 479 Ca 0.44 1.24 -0.32 0.00 0.00 0.00 0.00 55.97 57.34 1pkx s LYS 479 Cb -0.10 -1.99 -0.10 0.00 0.00 0.00 0.00 37.83 35.64 1pkx s LYS 479 CO 0.40 -1.07 1.94 -2.37 0.00 0.00 0.00 175.35 174.25 1pkx n THR 480 N -2.41 0.70 0.00 3.79 5.66 -1.26 -1.62 114.28 119.14 1pkx n THR 480 Ca 0.09 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1pkx n THR 480 Cb 0.53 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 1pkx n THR 480 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pkx n GLY 481 N 4.50 0.74 3.64 1.09 0.00 -1.26 -5.07 105.19 108.82 1pkx n GLY 481 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1pkx n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkx s VAL 482 N -2.00 4.77 0.53 1.61 0.11 -0.64 -5.03 120.40 119.75 1pkx s VAL 482 Ca 0.00 1.52 -0.20 0.00 -2.93 0.00 0.00 61.98 60.37 1pkx s VAL 482 Cb 0.00 -4.18 -0.06 0.00 -1.53 0.00 0.00 36.38 30.61 1pkx s VAL 482 CO 0.00 -0.19 1.14 -0.54 -3.33 0.00 0.00 175.10 172.18 1pkx s LYS 483 N 3.01 3.40 0.45 1.54 3.01 -1.26 -4.90 119.74 125.00 1pkx s LYS 483 Ca 0.36 1.66 0.11 0.00 -1.01 0.00 0.00 55.97 57.09 1pkx s LYS 483 Cb -0.14 -2.07 1.02 0.00 -1.01 0.00 0.00 37.83 35.63 1pkx s LYS 483 CO 0.10 -0.82 2.07 0.07 0.51 0.00 0.00 175.35 177.28 1pkx h ARG 484 N 1.32 0.25 -0.02 1.68 0.11 -1.97 -1.67 114.38 114.08 1pkx h ARG 484 Ca -0.50 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.44 1pkx h ARG 484 Cb 1.26 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 1pkx h ARG 484 CO 0.57 0.21 -0.54 0.00 0.10 0.00 0.00 179.97 180.31 1pkx h ALA 485 N 1.84 1.08 -0.01 0.08 0.00 -1.94 -1.44 119.26 118.87 1pkx h ALA 485 Ca 0.07 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 1pkx h ALA 485 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pkx h ALA 485 CO -0.01 0.68 -0.88 0.93 0.00 0.00 0.00 179.25 179.97 1pkx h GLU 486 N 0.04 0.31 -0.43 0.00 3.07 -1.72 -2.76 114.58 113.08 1pkx h GLU 486 Ca -0.00 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.42 1pkx h GLU 486 Cb 0.97 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1pkx h GLU 486 CO 0.07 1.01 -0.17 0.82 -1.40 0.00 0.00 179.01 179.35 1pkx h ILE 487 N 0.18 1.28 -0.16 3.13 2.04 -1.10 0.35 117.51 123.23 1pkx h ILE 487 Ca -0.06 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1pkx h ILE 487 Cb 1.50 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1pkx h ILE 487 CO 0.14 0.44 0.10 0.28 0.00 0.00 0.00 178.15 179.11 1pkx h SER 488 N 0.71 0.16 -0.12 1.72 0.02 -1.26 -1.17 113.55 113.61 1pkx h SER 488 Ca 0.10 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1pkx h SER 488 Cb 0.73 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1pkx h SER 488 CO 0.06 0.12 -0.18 0.78 -1.14 0.00 0.00 176.83 176.46 1pkx h ASN 489 N 0.20 0.51 0.04 3.07 2.35 -1.40 -1.04 115.58 119.31 1pkx h ASN 489 Ca 0.06 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1pkx h ASN 489 Cb -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1pkx h ASN 489 CO -0.02 0.71 -0.21 0.00 -1.65 0.00 0.00 177.43 176.26 1pkx h ALA 490 N 1.34 1.31 0.20 -0.83 0.00 -0.53 -2.13 119.26 118.62 1pkx h ALA 490 Ca 0.08 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 1pkx h ALA 490 Cb 0.59 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pkx h ALA 490 CO 0.04 0.46 -1.43 0.82 0.00 0.00 0.00 179.25 179.14 1pkx h ILE 491 N 0.28 1.31 -0.33 0.00 2.04 -0.81 -2.84 117.51 117.17 1pkx h ILE 491 Ca 0.05 -2.81 -0.10 0.00 1.00 0.00 0.00 64.86 63.00 1pkx h ILE 491 Cb 0.54 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1pkx h ILE 491 CO 0.04 0.84 -0.20 0.44 0.00 0.00 0.00 178.15 179.26 1pkx h ASP 492 N 0.11 0.62 0.26 1.72 3.32 -1.10 -1.78 116.42 119.58 1pkx h ASP 492 Ca -0.22 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 1pkx h ASP 492 Cb 2.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.46 1pkx h ASP 492 CO 0.24 0.83 -0.56 1.56 -1.72 0.00 0.00 179.24 179.58 1pkx h GLN 493 N 0.55 0.31 -0.18 3.56 4.20 -1.48 -2.25 115.11 119.83 1pkx h GLN 493 Ca 0.08 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1pkx h GLN 493 Cb 0.66 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1pkx h GLN 493 CO 0.05 0.79 0.02 -0.92 -0.67 0.00 0.00 178.83 178.10 1pkx h TYR 494 N 0.24 0.34 0.00 2.96 3.20 -1.21 -0.16 116.97 122.33 1pkx h TYR 494 Ca 0.00 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1pkx h TYR 494 Cb 1.06 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1pkx h TYR 494 CO 0.03 0.48 -0.44 -0.39 -1.64 0.00 0.00 178.16 176.20 1pkx h VAL 495 N 0.09 0.78 -0.02 1.81 -1.51 -1.33 -3.26 116.25 112.80 1pkx h VAL 495 Ca 0.05 -2.01 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 1pkx h VAL 495 Cb 0.34 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1pkx h VAL 495 CO 0.01 0.43 -0.22 0.35 -1.23 0.00 0.00 177.57 176.91 1pkx n THR 496 N -3.24 0.00 -2.80 7.19 -2.24 -0.85 -4.97 114.28 107.36 1pkx n THR 496 Ca 0.02 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1pkx n THR 496 Cb 0.69 1.07 0.03 0.00 -2.10 0.00 0.00 70.33 70.01 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 1.35 0.05 0.61 3.38 0.00 -0.62 -4.96 105.19 105.00 1pkx n GLY 497 Ca 0.13 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.92 2.21 0.11 2.61 -2.24 -0.17 -4.70 114.28 108.18 1pkx n THR 498 Ca -0.04 -2.96 0.01 0.00 -2.27 0.00 0.00 64.05 58.79 1pkx n THR 498 Cb 0.56 -0.25 0.33 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.85 1.23 0.00 2.28 2.04 -1.93 -3.47 117.51 118.51 1pkx h ILE 499 Ca 0.04 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1pkx h ILE 499 Cb 1.12 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1pkx h ILE 499 CO 0.07 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.15 1pkx n GLY 500 N -0.63 0.03 4.01 5.37 0.00 -1.26 -4.42 105.19 108.28 1pkx n GLY 500 Ca -0.01 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 1pkx n GLY 500 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkx s GLU 501 N -3.21 2.82 7.98 1.61 0.41 -1.26 -3.83 118.70 123.21 1pkx s GLU 501 Ca 0.00 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 1pkx s GLU 501 Cb 0.00 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1pkx s GLU 501 CO 0.00 -0.29 0.00 -0.25 -0.49 0.00 0.00 175.26 174.23 1pkx n ASP 502 N -1.87 0.00 -0.11 -0.19 8.00 -1.26 -3.28 116.55 117.85 1pkx n ASP 502 Ca 0.08 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1pkx n ASP 502 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.21 -0.92 -1.24 4.39 -2.00 -2.13 114.58 112.47 1pkx h GLU 503 Ca 0.00 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.89 1pkx h GLU 503 Cb 0.00 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 28.53 1pkx h GLU 503 CO 0.00 -0.14 -0.26 -0.44 -1.16 0.00 0.00 179.01 177.01 1pkx h ASP 504 N -0.21 -0.97 -0.86 1.42 3.32 -1.85 -0.03 116.42 117.24 1pkx h ASP 504 Ca 0.18 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.55 1pkx h ASP 504 Cb 0.50 0.60 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1pkx h ASP 504 CO -0.51 -0.30 0.55 0.25 -1.72 0.00 0.00 179.24 177.51 1pkx h LEU 505 N -0.01 0.90 -0.33 1.55 5.85 -1.49 -2.97 115.31 118.81 1pkx h LEU 505 Ca 0.42 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.20 1pkx h LEU 505 Cb 0.66 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1pkx h LEU 505 CO -0.95 0.61 -0.06 0.40 -0.34 0.00 0.00 178.44 178.11 1pkx h ILE 506 N 1.05 0.69 -0.59 4.05 5.03 -0.94 -1.64 117.51 125.16 1pkx h ILE 506 Ca 0.35 -0.01 -0.02 0.00 -0.12 0.00 0.00 64.86 65.06 1pkx h ILE 506 Cb 0.04 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 34.47 1pkx h ILE 506 CO -0.13 0.01 0.28 0.07 -0.68 0.00 0.00 178.15 177.69 1pkx h LYS 507 N 0.03 0.83 0.83 2.37 5.09 -1.48 -2.88 116.57 121.36 1pkx h LYS 507 Ca 0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 60.65 60.75 1pkx h LYS 507 Cb 0.24 -0.16 0.01 0.00 0.10 0.00 0.00 32.23 32.42 1pkx h LYS 507 CO -0.32 0.65 -0.40 2.35 -2.09 0.00 0.00 179.45 179.65 1pkx h TRP 508 N 0.83 -1.03 -0.01 0.07 7.01 -1.18 -2.70 115.95 118.95 1pkx h TRP 508 Ca 0.21 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1pkx h TRP 508 Cb 0.10 0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1pkx h TRP 508 CO 0.01 -0.64 0.20 0.87 -2.79 0.00 0.00 178.44 176.08 1pkx h LYS 509 N -1.17 0.00 -1.49 2.65 1.79 -1.38 -2.27 116.57 114.70 1pkx h LYS 509 Ca -0.11 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.14 1pkx h LYS 509 Cb 0.85 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.40 1pkx h LYS 509 CO 0.19 0.00 0.28 0.00 -1.08 0.00 0.00 179.45 178.84 1pkx n ALA 510 N -1.98 4.49 0.00 3.86 0.00 -1.02 -3.26 120.51 122.60 1pkx n ALA 510 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1pkx n ALA 510 Cb 0.26 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1pkx n ALA 510 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkx n LEU 511 N 0.48 0.00 -4.79 0.00 4.77 -0.85 -4.98 117.00 111.63 1pkx n LEU 511 Ca 0.21 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1pkx n LEU 511 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1pkx n LEU 511 CO 0.26 0.00 0.17 -0.36 -1.33 0.00 0.00 177.39 176.13 1pkx s PHE 512 N -1.39 3.67 0.02 -1.77 0.40 -1.20 0.81 117.98 118.52 1pkx s PHE 512 Ca 0.00 1.03 -0.25 0.00 -0.60 0.00 0.00 56.93 57.12 1pkx s PHE 512 Cb 0.00 -2.44 -0.18 0.00 0.51 0.00 0.00 43.02 40.91 1pkx s PHE 512 CO 0.00 0.46 1.42 1.05 0.70 0.00 0.00 175.22 178.85 1pkx h GLU 513 N 5.38 0.03 -4.82 0.44 9.09 -0.71 -3.39 114.58 120.60 1pkx h GLU 513 Ca -0.47 -0.01 -0.68 0.00 0.05 0.00 0.00 59.36 58.25 1pkx h GLU 513 Cb 1.20 -0.00 -0.30 0.00 -1.65 0.00 0.00 28.75 28.01 1pkx h GLU 513 CO 0.67 0.36 -0.68 -1.83 0.05 0.00 0.00 179.01 177.58 1pkx s GLU 514 N -4.86 2.85 -0.01 1.06 4.04 -1.26 -5.07 118.70 115.46 1pkx s GLU 514 Ca -0.15 -1.00 -0.30 0.00 0.04 0.00 0.00 54.97 53.56 1pkx s GLU 514 Cb 0.03 -3.21 -0.05 0.00 0.02 0.00 0.00 34.13 30.92 1pkx s GLU 514 CO 0.68 -0.48 1.44 0.08 -1.84 0.00 0.00 175.26 175.14 1pkx s VAL 515 N 1.39 3.68 0.73 1.83 1.01 -1.26 -4.64 120.40 123.14 1pkx s VAL 515 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1pkx s VAL 515 Cb -0.18 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1pkx s VAL 515 CO -0.01 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 173.99 1pkx s PRO 516 N 2.67 2.62 -0.12 2.72 0.04 -1.26 -5.05 135.00 136.62 1pkx s PRO 516 Ca 0.65 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 1pkx s PRO 516 Cb -0.32 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1pkx s PRO 516 CO 0.26 -1.30 0.04 -1.21 0.04 0.00 0.00 177.00 174.84 1pkx s GLU 517 N -5.07 3.38 0.30 4.56 2.02 -1.26 -5.07 118.70 117.56 1pkx s GLU 517 Ca 0.59 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.95 1pkx s GLU 517 Cb -0.14 -2.99 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 1pkx s GLU 517 CO 0.55 0.58 1.50 -0.51 0.02 0.00 0.00 175.26 177.40 1pkx s LEU 518 N -0.51 4.36 0.40 1.80 1.43 -1.26 -4.97 118.68 119.92 1pkx s LEU 518 Ca 0.10 2.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.82 1pkx s LEU 518 Cb -0.12 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1pkx s LEU 518 CO 0.02 -0.81 1.09 -0.76 0.23 0.00 0.00 176.35 176.12 1pkx s LEU 519 N -0.97 4.17 0.68 1.79 1.43 -1.26 -5.04 118.68 119.49 1pkx s LEU 519 Ca 0.58 2.15 -0.07 0.00 -1.03 0.00 0.00 54.13 55.76 1pkx s LEU 519 Cb -0.45 -4.11 0.05 0.00 0.03 0.00 0.00 46.19 41.71 1pkx s LEU 519 CO 0.51 -0.55 1.00 0.42 0.23 0.00 0.00 176.35 177.96 1pkx s THR 520 N -1.55 2.61 0.40 5.49 -4.23 -1.26 -4.89 115.64 112.21 1pkx s THR 520 Ca 0.57 -0.17 0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1pkx s THR 520 Cb -0.25 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 70.65 1pkx s THR 520 CO 0.32 -0.13 1.96 -0.33 -0.54 0.00 0.00 174.62 175.90 1pkx h GLU 521 N -0.52 0.27 -0.28 3.99 4.39 -1.99 -1.62 114.58 118.81 1pkx h GLU 521 Ca -0.45 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.07 1pkx h GLU 521 Cb 1.30 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1pkx h GLU 521 CO 0.61 0.35 -0.33 0.00 -1.16 0.00 0.00 179.01 178.47 1pkx h ALA 522 N 1.69 0.42 0.03 3.43 0.00 -1.99 -1.58 119.26 121.26 1pkx h ALA 522 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pkx h ALA 522 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pkx h ALA 522 CO 0.01 0.47 -0.02 0.93 0.00 0.00 0.00 179.25 180.64 1pkx h GLU 523 N 0.46 -0.04 -0.48 0.00 5.08 -1.81 0.13 114.58 117.91 1pkx h GLU 523 Ca 0.04 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1pkx h GLU 523 Cb 0.92 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1pkx h GLU 523 CO 0.08 -0.02 0.19 0.87 -1.00 0.00 0.00 179.01 179.13 1pkx h LYS 524 N -0.05 0.37 -0.66 2.33 1.57 -1.29 -0.26 116.57 118.57 1pkx h LYS 524 Ca -0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1pkx h LYS 524 Cb 0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1pkx h LYS 524 CO 0.01 0.24 0.22 0.87 -0.57 0.00 0.00 179.45 180.22 1pkx h LYS 525 N 0.38 1.02 -0.89 3.15 1.57 -0.98 -0.04 116.57 120.78 1pkx h LYS 525 Ca 0.22 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1pkx h LYS 525 Cb 0.21 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1pkx h LYS 525 CO -0.21 0.88 0.49 1.05 -0.57 0.00 0.00 179.45 181.09 1pkx h GLU 526 N 0.96 1.23 -0.35 3.15 9.09 -0.08 -1.96 114.58 126.62 1pkx h GLU 526 Ca 0.22 -0.14 -0.07 0.00 0.05 0.00 0.00 59.36 59.41 1pkx h GLU 526 Cb 0.27 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1pkx h GLU 526 CO -0.01 0.90 -0.07 2.35 0.05 0.00 0.00 179.01 182.23 1pkx h TRP 527 N 1.24 0.75 0.00 2.06 2.91 -0.56 -2.72 115.95 119.63 1pkx h TRP 527 Ca 0.31 -0.16 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 1pkx h TRP 527 Cb 0.02 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.48 1pkx h TRP 527 CO 0.01 0.82 -0.06 0.28 -1.03 0.00 0.00 178.44 178.46 1pkx h VAL 528 N 0.46 0.67 0.00 2.65 2.07 -0.69 -0.35 116.25 121.06 1pkx h VAL 528 Ca 0.09 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1pkx h VAL 528 Cb 0.57 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1pkx h VAL 528 CO 0.03 0.06 -0.08 -0.33 0.02 0.00 0.00 177.57 177.27 1pkx h GLU 529 N 0.00 0.00 0.00 1.57 5.08 -1.03 -2.51 114.58 117.68 1pkx h GLU 529 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkx h GLU 529 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pkx h GLU 529 CO 0.01 0.08 0.00 0.87 -1.00 0.00 0.00 179.01 178.97 1pkx h LYS 530 N 0.00 0.00 -6.53 2.33 1.57 -1.08 -3.45 116.57 109.41 1pkx h LYS 530 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1pkx h LYS 530 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.76 1pkx h LYS 530 CO 0.01 0.00 0.78 -1.17 -0.57 0.00 0.00 179.45 178.50 1pkx s LEU 531 N -5.32 4.36 0.20 2.94 2.96 -0.95 -5.00 118.68 117.87 1pkx s LEU 531 Ca 0.08 2.36 -0.03 0.00 -0.22 0.00 0.00 54.13 56.32 1pkx s LEU 531 Cb 0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1pkx s LEU 531 CO 0.61 -0.70 0.17 0.42 -1.32 0.00 0.00 176.35 175.52 1pkx s THR 532 N 1.36 0.01 -1.45 3.68 -4.23 -1.26 -3.85 115.64 109.90 1pkx s THR 532 Ca 0.66 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1pkx s THR 532 Cb -0.37 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.12 1pkx s THR 532 CO 0.30 -0.06 1.04 -0.62 -0.54 0.00 0.00 174.62 174.74 1pkx n GLU 533 N -0.26 -6.37 -3.53 3.99 1.02 -0.87 -4.94 120.64 109.68 1pkx n GLU 533 Ca 0.01 0.69 -0.33 0.00 -0.02 0.00 0.00 57.16 57.50 1pkx n GLU 533 Cb 0.65 -5.62 -0.05 0.00 -0.02 0.00 0.00 31.44 26.40 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 -3.34 5.04 0.19 2.62 1.01 0.18 -4.82 120.40 121.28 1pkx s VAL 534 Ca 0.57 0.38 0.09 0.00 0.00 0.00 0.00 61.98 63.02 1pkx s VAL 534 Cb -0.27 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1pkx s VAL 534 CO 0.79 0.10 -0.08 -0.44 0.00 0.00 0.00 175.10 175.47 1pkx s SER 535 N -2.14 4.32 0.01 3.32 0.01 0.03 -0.85 113.70 118.40 1pkx s SER 535 Ca 0.40 -0.57 -0.00 0.00 1.31 0.00 0.00 55.95 57.09 1pkx s SER 535 Cb -0.13 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 1pkx s SER 535 CO 0.21 0.09 -0.00 -0.63 0.41 0.00 0.00 173.24 173.32 1pkx s ILE 536 N -1.75 0.06 -0.01 1.44 1.01 -0.26 -0.57 121.20 121.11 1pkx s ILE 536 Ca 0.26 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1pkx s ILE 536 Cb -0.09 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 1pkx s ILE 536 CO 0.16 -0.28 -0.07 -0.55 0.00 0.00 0.00 174.94 174.21 1pkx s SER 537 N -0.81 0.82 -0.03 3.58 0.15 -0.72 0.07 113.70 116.77 1pkx s SER 537 Ca -0.09 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.50 1pkx s SER 537 Cb -0.06 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1pkx s SER 537 CO -0.00 0.07 -0.24 -0.55 1.20 0.00 0.00 173.24 173.72 1pkx s SER 538 N -0.07 2.79 0.00 5.45 0.15 -0.78 -1.25 113.70 119.99 1pkx s SER 538 Ca 0.01 -0.44 0.19 0.00 0.70 0.00 0.00 55.95 56.42 1pkx s SER 538 Cb -0.04 -0.43 0.85 0.00 -1.71 0.00 0.00 66.02 64.69 1pkx s SER 538 CO -0.00 0.27 1.61 -0.90 1.20 0.00 0.00 173.24 175.43 1pkx n ASP 539 N 2.62 0.00 -3.95 5.45 3.85 -0.64 -4.35 116.55 119.54 1pkx n ASP 539 Ca -0.16 0.42 -0.09 0.00 -0.71 0.00 0.00 54.79 54.25 1pkx n ASP 539 Cb 0.52 -0.47 -0.08 0.00 -1.35 0.00 0.00 41.12 39.75 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 -2.93 0.05 0.74 2.12 0.00 -1.26 -1.21 121.76 119.26 1pkx s ALA 540 Ca 0.11 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1pkx s ALA 540 Cb 0.13 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1pkx s ALA 540 CO 0.34 -0.56 0.97 1.97 0.00 0.00 0.00 175.76 178.48 1pkx n PHE 541 N -0.13 0.66 -2.96 0.00 1.16 -1.24 -4.42 117.46 110.53 1pkx n PHE 541 Ca -0.10 0.39 -0.41 0.00 -1.87 0.00 0.00 57.45 55.46 1pkx n PHE 541 Cb 0.63 -2.07 -0.04 0.00 -1.61 0.00 0.00 39.48 36.38 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 -1.86 3.53 -0.01 2.97 0.08 -1.26 -4.98 117.98 116.45 1pkx s PHE 542 Ca 0.73 1.29 -0.24 0.00 0.12 0.00 0.00 56.93 58.83 1pkx s PHE 542 Cb -0.34 -2.91 -0.17 0.00 -0.57 0.00 0.00 43.02 39.04 1pkx s PHE 542 CO 0.51 -0.04 1.15 -1.35 -0.10 0.00 0.00 175.22 175.39 1pkx h PRO 543 N 6.99 -0.31 -5.49 0.24 0.11 -1.98 -3.43 132.00 128.12 1pkx h PRO 543 Ca -0.37 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.20 1pkx h PRO 543 Cb 1.18 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1pkx h PRO 543 CO 0.78 0.04 -0.60 -0.06 -0.21 0.00 0.00 178.00 177.95 1pkx s PHE 544 N -4.34 2.29 -1.62 0.65 2.99 -1.26 -4.37 117.98 112.33 1pkx s PHE 544 Ca -0.14 -0.78 0.22 0.00 0.00 0.00 0.00 56.93 56.23 1pkx s PHE 544 Cb 0.02 -1.57 1.17 0.00 0.00 0.00 0.00 43.02 42.64 1pkx s PHE 544 CO 0.54 0.27 1.70 2.89 -0.00 0.00 0.00 175.22 180.63 1pkx n ARG 545 N -0.85 0.44 0.01 0.44 1.85 -1.26 -3.32 116.66 113.97 1pkx n ARG 545 Ca -0.04 0.06 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 1pkx n ARG 545 Cb 0.67 -1.50 0.50 0.00 -1.05 0.00 0.00 32.46 31.08 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 0.33 -0.34 2.89 2.03 -1.98 -0.87 116.42 118.48 1pkx h ASP 546 Ca 0.00 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 1pkx h ASP 546 Cb 0.14 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 1pkx h ASP 546 CO 0.00 0.22 0.12 0.78 -1.03 0.00 0.00 179.24 179.34 1pkx h ASN 547 N 0.38 0.48 -0.86 4.15 2.35 -1.94 0.04 115.58 120.18 1pkx h ASN 547 Ca 0.18 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1pkx h ASN 547 Cb 0.22 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1pkx h ASN 547 CO -0.04 0.54 0.46 0.58 -1.65 0.00 0.00 177.43 177.32 1pkx h VAL 548 N 0.40 1.25 -0.29 2.81 2.07 -1.45 0.02 116.25 121.06 1pkx h VAL 548 Ca 0.11 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1pkx h VAL 548 Cb 0.22 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1pkx h VAL 548 CO -0.01 0.29 0.06 0.44 0.02 0.00 0.00 177.57 178.38 1pkx h ASP 549 N 1.22 0.45 -0.75 0.57 3.32 -0.77 -2.21 116.42 118.24 1pkx h ASP 549 Ca 0.30 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1pkx h ASP 549 Cb 0.05 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1pkx h ASP 549 CO -0.05 0.57 0.26 -0.09 -1.72 0.00 0.00 179.24 178.22 1pkx h ARG 550 N 0.31 1.15 -0.46 3.56 9.65 -0.66 -3.02 114.38 124.91 1pkx h ARG 550 Ca 0.09 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1pkx h ARG 550 Cb 0.31 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1pkx h ARG 550 CO 0.00 0.96 0.28 0.00 2.80 0.00 0.00 179.97 184.01 1pkx h ALA 551 N 1.16 0.58 -0.83 2.80 0.00 -0.84 -2.87 119.26 119.27 1pkx h ALA 551 Ca 0.25 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1pkx h ALA 551 Cb 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1pkx h ALA 551 CO -0.01 -0.03 0.54 -0.22 0.00 0.00 0.00 179.25 179.53 1pkx h LYS 552 N 0.56 0.79 0.00 0.00 1.63 -1.27 -1.23 116.57 117.05 1pkx h LYS 552 Ca 0.18 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1pkx h LYS 552 Cb -0.00 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1pkx h LYS 552 CO -0.07 0.52 0.00 2.89 -3.45 0.00 0.00 179.45 179.34 1pkx n ARG 553 N -4.51 0.73 -0.47 1.90 1.85 -1.08 -2.64 116.66 112.43 1pkx n ARG 553 Ca 0.13 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.05 1pkx n ARG 553 Cb 0.29 -1.39 0.15 0.00 -1.05 0.00 0.00 32.46 30.46 1pkx n ARG 553 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1pkx n SER 554 N -0.89 1.76 0.00 2.89 7.64 -0.48 -4.82 113.62 119.72 1pkx n SER 554 Ca 0.13 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1pkx n SER 554 Cb 0.06 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.01 0.86 3.72 0.23 0.00 -1.08 -4.82 105.19 103.10 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 -3.44 3.20 0.00 1.61 1.01 -1.12 -0.64 120.40 121.01 1pkx s VAL 556 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1pkx s VAL 556 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1pkx s VAL 556 CO 0.00 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.21 1pkx n ALA 557 N 3.79 1.22 -3.21 5.51 0.00 -0.03 -4.50 120.51 123.30 1pkx n ALA 557 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 1pkx n ALA 557 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.53 0.16 0.00 0.00 1.51 -1.17 -1.40 117.35 115.93 1pkx s TYR 558 Ca 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 1pkx s TYR 558 Cb 0.00 -0.19 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 1pkx s TYR 558 CO 0.00 -0.05 -0.06 0.42 -1.11 0.00 0.00 175.55 174.75 1pkx s ILE 559 N 0.40 0.45 -0.05 2.71 1.01 -0.22 -1.11 121.20 124.40 1pkx s ILE 559 Ca -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1pkx s ILE 559 Cb -0.06 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1pkx s ILE 559 CO -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 174.94 174.85 1pkx s ALA 560 N -0.29 1.33 -0.10 9.38 0.00 0.11 -1.22 121.76 130.98 1pkx s ALA 560 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1pkx s ALA 560 Cb -0.03 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.69 1pkx s ALA 560 CO -0.00 0.19 0.93 0.00 0.00 0.00 0.00 175.76 176.88 1pkx s ALA 561 N 0.34 -1.88 0.59 0.00 0.00 -0.93 -1.87 121.76 118.01 1pkx s ALA 561 Ca -0.09 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.05 1pkx s ALA 561 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1pkx s ALA 561 CO 0.03 -0.46 1.12 -2.14 0.00 0.00 0.00 175.76 174.32 1pkx s PRO 562 N -1.86 3.11 0.77 0.00 0.02 -1.26 -1.57 135.00 134.21 1pkx s PRO 562 Ca 0.00 1.53 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 1pkx s PRO 562 Cb -0.01 -1.98 0.15 0.00 0.02 0.00 0.00 34.50 32.68 1pkx s PRO 562 CO -0.02 -1.03 1.06 -1.54 -0.33 0.00 0.00 177.00 175.15 1pkx s SER 563 N -2.10 4.06 0.00 2.53 1.04 -0.85 -3.62 113.70 114.76 1pkx s SER 563 Ca 0.71 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1pkx s SER 563 Cb -0.23 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1pkx s SER 563 CO 0.33 -2.07 0.00 0.61 0.98 0.00 0.00 173.24 173.09 1pkx n GLY 564 N -3.01 0.92 3.84 7.32 0.00 -1.26 -4.66 105.19 108.35 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 -0.74 6.67 0.52 1.61 0.15 -1.26 -4.94 113.70 115.71 1pkx s SER 565 Ca 0.00 1.51 0.32 0.00 0.70 0.00 0.00 55.95 58.48 1pkx s SER 565 Cb 0.00 -2.48 1.17 0.00 -1.71 0.00 0.00 66.02 63.00 1pkx s SER 565 CO 0.00 -0.50 1.91 0.00 1.20 0.00 0.00 173.24 175.85 1pkx h ALA 566 N 1.21 1.00 -0.60 5.45 0.00 -1.91 -2.74 119.26 121.67 1pkx h ALA 566 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pkx h ALA 566 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pkx h ALA 566 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1pkx n ALA 567 N -2.08 3.55 -0.26 0.00 0.00 -1.26 -4.62 120.51 115.84 1pkx n ALA 567 Ca 0.01 -1.81 0.06 0.00 0.00 0.00 0.00 53.44 51.71 1pkx n ALA 567 Cb 0.34 -1.07 0.18 0.00 0.00 0.00 0.00 19.45 18.91 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 4.02 -0.15 -0.89 0.00 3.32 -1.79 -0.36 116.42 120.58 1pkx h ASP 568 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1pkx h ASP 568 Cb 1.76 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 41.53 1pkx h ASP 568 CO 0.38 -0.12 0.58 0.11 -1.72 0.00 0.00 179.24 178.48 1pkx h LYS 569 N 0.18 1.11 0.00 3.56 6.56 -1.87 -0.33 116.57 125.80 1pkx h LYS 569 Ca 0.43 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.91 1pkx h LYS 569 Cb 0.77 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1pkx h LYS 569 CO -0.59 0.74 -0.20 0.28 -2.06 0.00 0.00 179.45 177.61 1pkx h VAL 570 N 1.15 0.45 0.01 0.50 2.07 -1.46 -0.96 116.25 118.01 1pkx h VAL 570 Ca 0.34 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1pkx h VAL 570 Cb -0.04 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1pkx h VAL 570 CO -0.10 0.20 -0.01 0.58 0.02 0.00 0.00 177.57 178.26 1pkx h VAL 571 N 0.00 1.55 0.22 2.57 2.07 -0.36 -1.96 116.25 120.34 1pkx h VAL 571 Ca -0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1pkx h VAL 571 Cb 0.84 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1pkx h VAL 571 CO 0.03 0.46 -0.23 0.40 0.02 0.00 0.00 177.57 178.25 1pkx h ILE 572 N -0.80 0.50 -0.71 4.57 2.04 -1.07 -1.06 117.51 120.98 1pkx h ILE 572 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1pkx h ILE 572 Cb 0.76 0.50 -0.10 0.00 -0.74 0.00 0.00 36.82 37.24 1pkx h ILE 572 CO 0.00 0.00 0.17 -0.33 0.00 0.00 0.00 178.15 177.99 1pkx h GLU 573 N -0.49 0.26 -0.68 2.37 5.08 -1.26 0.37 114.58 120.24 1pkx h GLU 573 Ca -0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1pkx h GLU 573 Cb 0.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1pkx h GLU 573 CO -0.06 0.18 0.45 0.00 -1.00 0.00 0.00 179.01 178.58 1pkx h ALA 574 N 1.58 1.64 -0.10 3.43 0.00 -0.69 0.02 119.26 125.14 1pkx h ALA 574 Ca 0.39 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1pkx h ALA 574 Cb 0.65 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pkx h ALA 574 CO -0.49 0.28 -0.17 0.00 0.00 0.00 0.00 179.25 178.88 1pkx h ASP 576 N -0.14 0.69 0.32 0.00 3.32 -0.31 -0.79 116.42 119.51 1pkx h ASP 576 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1pkx h ASP 576 Cb 0.73 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1pkx h ASP 576 CO 0.04 0.40 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.72 1pkx h GLU 577 N 0.76 -0.42 0.00 3.56 4.81 -0.85 -3.23 114.58 119.21 1pkx h GLU 577 Ca 0.40 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1pkx h GLU 577 Cb 0.51 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1pkx h GLU 577 CO -0.16 -0.11 0.00 1.28 -0.73 0.00 0.00 179.01 179.28 1pkx n LEU 578 N -5.15 0.00 0.00 1.64 4.77 -0.43 -4.90 117.00 112.92 1pkx n LEU 578 Ca -0.10 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1pkx n LEU 578 Cb 0.26 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1pkx n LEU 578 CO 0.31 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1pkx n GLY 579 N 0.84 0.52 3.89 -0.72 0.00 -0.42 -5.06 105.19 104.24 1pkx n GLY 579 Ca 0.08 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 5.34 -0.08 -0.61 1.01 -0.51 -4.97 121.20 119.38 1pkx s ILE 580 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1pkx s ILE 580 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1pkx s ILE 580 CO 0.00 0.34 0.25 -0.63 0.00 0.00 0.00 174.94 174.91 1pkx s ILE 581 N -1.32 5.31 -0.09 2.92 1.01 -0.49 -4.23 121.20 124.31 1pkx s ILE 581 Ca 0.28 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1pkx s ILE 581 Cb -0.13 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1pkx s ILE 581 CO 0.17 0.57 -0.17 -0.22 0.00 0.00 0.00 174.94 175.29 1pkx s LEU 582 N -0.82 1.82 -0.31 2.97 2.96 -1.26 -1.05 118.68 122.99 1pkx s LEU 582 Ca 0.18 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1pkx s LEU 582 Cb -0.14 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.50 1pkx s LEU 582 CO 0.07 0.07 0.06 0.00 -1.32 0.00 0.00 176.35 175.24 1pkx s ALA 583 N 0.61 2.97 -0.00 5.97 0.00 -0.36 -1.23 121.76 129.73 1pkx s ALA 583 Ca -0.15 -1.60 -0.19 0.00 0.00 0.00 0.00 51.96 50.02 1pkx s ALA 583 Cb -0.16 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1pkx s ALA 583 CO 0.05 -1.11 0.53 -1.01 0.00 0.00 0.00 175.76 174.22 1pkx s HIS 584 N 1.41 3.70 0.41 0.00 3.76 -1.01 -2.19 115.29 121.36 1pkx s HIS 584 Ca -0.00 1.13 0.04 0.00 -0.15 0.00 0.00 55.06 56.07 1pkx s HIS 584 Cb -0.18 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 1pkx s HIS 584 CO 0.01 0.44 0.05 0.95 -0.85 0.00 0.00 174.74 175.34 1pkx s THR 585 N -0.48 1.24 -0.23 1.30 -4.23 -0.61 -4.55 115.64 108.08 1pkx s THR 585 Ca 0.28 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1pkx s THR 585 Cb -0.18 -2.59 0.44 0.00 1.34 0.00 0.00 72.50 71.52 1pkx s THR 585 CO 0.16 0.00 1.29 -3.20 -0.54 0.00 0.00 174.62 172.33 1pkx n ASN 586 N -1.03 1.93 -3.86 3.99 5.15 -1.26 -2.01 115.26 118.17 1pkx n ASN 586 Ca -0.08 -3.87 -0.30 0.00 -0.60 0.00 0.00 54.58 49.73 1pkx n ASN 586 Cb 0.66 -0.56 -0.14 0.00 -0.53 0.00 0.00 39.78 39.21 1pkx n ASN 586 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1pkx s LEU 587 N -3.24 3.60 0.39 1.20 2.96 -1.26 -5.10 118.68 117.23 1pkx s LEU 587 Ca 0.40 -2.47 -0.24 0.00 -0.22 0.00 0.00 54.13 51.60 1pkx s LEU 587 Cb 0.38 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.65 1pkx s LEU 587 CO -0.05 -0.31 1.02 -0.60 -1.32 0.00 0.00 176.35 175.09 1pkx s ARG 588 N 0.50 4.23 -0.38 1.98 3.52 -1.26 -4.74 118.95 122.81 1pkx s ARG 588 Ca 0.15 1.44 0.10 0.00 -0.13 0.00 0.00 55.73 57.28 1pkx s ARG 588 Cb -0.22 -2.54 0.44 0.00 -1.56 0.00 0.00 34.95 31.06 1pkx s ARG 588 CO -0.06 -0.07 1.08 1.28 -0.81 0.00 0.00 175.30 176.72 1pkx n LEU 589 N -0.04 3.68 -4.76 -0.88 4.77 -0.35 -5.06 117.00 114.36 1pkx n LEU 589 Ca 0.05 -4.64 -0.37 0.00 -0.03 0.00 0.00 56.01 51.03 1pkx n LEU 589 Cb 0.50 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1pkx n LEU 589 CO 0.44 1.97 0.85 -0.36 -1.33 0.00 0.00 177.39 178.96 1pkx s PHE 590 N -3.45 2.65 -0.11 -1.77 0.08 -1.26 -4.58 117.98 109.54 1pkx s PHE 590 Ca 0.42 1.51 -0.05 0.00 0.12 0.00 0.00 56.93 58.92 1pkx s PHE 590 Cb 0.41 -3.45 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1pkx s PHE 590 CO -0.09 -1.88 0.25 -1.58 -0.10 0.00 0.00 175.22 171.82 1pkx s HIS 591 N -1.55 -0.36 0.00 0.36 5.65 -1.26 -5.01 115.29 113.11 1pkx s HIS 591 Ca 0.69 0.85 0.00 0.00 0.25 0.00 0.00 55.06 56.85 1pkx s HIS 591 Cb -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 32.58 31.10 1pkx s HIS 591 CO 0.35 -0.28 0.00 0.72 -0.65 0.00 0.00 174.74 174.88