#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajc s PRO 2 N 0.00 4.34 -0.04 -0.78 0.02 -1.26 -4.99 135.00 132.29 1ajc s PRO 2 Ca 0.00 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 1ajc s PRO 2 Cb 0.00 -3.55 0.03 0.00 0.02 0.00 0.00 34.50 31.00 1ajc s PRO 2 CO 0.00 -0.46 0.07 -1.21 -0.33 0.00 0.00 177.00 175.07 1ajc s GLU 3 N 2.20 -0.01 -0.13 5.54 0.41 -1.26 -5.13 118.70 120.31 1ajc s GLU 3 Ca 0.57 0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 55.13 1ajc s GLU 3 Cb -0.26 -0.29 -0.02 0.00 -1.78 0.00 0.00 34.13 31.78 1ajc s GLU 3 CO 0.23 -0.21 1.29 -1.64 -0.49 0.00 0.00 175.26 174.44 1ajc s MET 4 N 1.41 4.25 0.50 1.61 -1.94 -1.26 -4.98 119.30 118.89 1ajc s MET 4 Ca -0.05 1.72 -0.21 0.00 -1.71 0.00 0.00 55.69 55.43 1ajc s MET 4 Cb -0.12 -3.73 -0.07 0.00 2.01 0.00 0.00 34.83 32.91 1ajc s MET 4 CO -0.04 -0.66 1.11 -1.25 -0.01 0.00 0.00 175.02 174.17 1ajc s PRO 5 N 3.25 3.61 -0.08 2.03 0.04 -1.26 -5.00 135.00 137.60 1ajc s PRO 5 Ca 0.57 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.25 1ajc s PRO 5 Cb -0.24 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1ajc s PRO 5 CO 0.18 -0.63 -0.24 0.14 0.04 0.00 0.00 177.00 176.49 1ajc s VAL 6 N -1.74 2.15 -0.73 -0.36 -7.23 -1.26 -4.74 120.40 106.48 1ajc s VAL 6 Ca 0.68 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 1ajc s VAL 6 Cb -0.23 -1.80 -0.14 0.00 0.56 0.00 0.00 36.38 34.76 1ajc s VAL 6 CO 0.28 0.56 2.54 0.18 -0.31 0.00 0.00 175.10 178.35 1ajc n LEU 7 N 3.15 1.34 0.23 1.32 4.32 -0.12 -4.78 117.00 122.46 1ajc n LEU 7 Ca -0.18 -0.14 0.09 0.00 -0.02 0.00 0.00 56.01 55.76 1ajc n LEU 7 Cb 0.52 -1.25 0.52 0.00 -1.62 0.00 0.00 43.42 41.59 1ajc n LEU 7 CO 0.27 -1.14 0.83 -0.33 -1.22 0.00 0.00 177.39 175.80 1ajc h GLU 8 N 15.68 0.00 -0.39 3.23 4.39 -1.96 -3.41 114.58 132.12 1ajc h GLU 8 Ca -0.15 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.78 1ajc h GLU 8 Cb 1.29 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.72 1ajc h GLU 8 CO 1.26 0.23 0.17 1.21 -1.16 0.00 0.00 179.01 180.72 1ajc s ASN 9 N -6.30 -0.45 -0.34 1.42 3.84 -1.26 -5.03 114.94 106.81 1ajc s ASN 9 Ca -0.01 0.33 0.11 0.00 0.21 0.00 0.00 52.86 53.50 1ajc s ASN 9 Cb 0.12 1.40 0.45 0.00 -0.55 0.00 0.00 41.25 42.67 1ajc s ASN 9 CO 0.64 -0.08 1.10 0.54 -2.79 0.00 0.00 177.10 176.50 1ajc n ARG 10 N 5.37 2.72 -3.14 0.43 1.74 -1.26 -4.91 116.66 117.61 1ajc n ARG 10 Ca -0.07 -3.99 -0.24 0.00 -0.77 0.00 0.00 57.85 52.79 1ajc n ARG 10 Cb 0.54 -1.94 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1ajc n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ajc s ALA 11 N -3.51 3.71 -0.42 7.54 0.00 -1.26 -4.75 121.76 123.07 1ajc s ALA 11 Ca 0.41 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1ajc s ALA 11 Cb 0.40 -2.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 1ajc s ALA 11 CO -0.05 -0.21 2.31 0.00 0.00 0.00 0.00 175.76 177.80 1ajc n ALA 12 N -1.96 1.10 0.00 0.00 0.00 0.28 -4.34 120.51 115.60 1ajc n ALA 12 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ajc n ALA 12 Cb 0.57 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1ajc n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ajc n GLN 13 N 8.57 0.00 0.00 0.00 1.13 0.59 -4.81 117.38 122.85 1ajc n GLN 13 Ca 0.40 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1ajc n GLN 13 Cb 0.34 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1ajc n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ajc n GLY 14 N -1.10 2.72 3.46 1.08 0.00 0.57 -5.02 105.19 106.90 1ajc n GLY 14 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ajc n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajc s ASP 15 N 2.00 6.24 0.33 1.61 2.15 -1.20 -4.82 116.67 122.98 1ajc s ASP 15 Ca 0.00 -0.82 0.18 0.00 0.43 0.00 0.00 52.55 52.34 1ajc s ASP 15 Cb 0.00 -2.36 1.19 0.00 -0.30 0.00 0.00 42.92 41.44 1ajc s ASP 15 CO 0.00 -1.14 1.41 -0.38 -0.17 0.00 0.00 175.17 174.89 1ajc n ILE 16 N 5.85 -0.38 0.17 4.11 -0.00 -1.26 -0.11 119.36 127.76 1ajc n ILE 16 Ca -0.04 1.82 0.06 0.00 -0.00 0.00 0.00 62.75 64.60 1ajc n ILE 16 Cb 0.46 -2.95 0.11 0.00 -0.00 0.00 0.00 39.64 37.26 1ajc n ILE 16 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 1ajc h THR 17 N 0.00 0.54 -3.50 1.39 1.35 -1.93 -3.41 112.91 107.35 1ajc h THR 17 Ca 0.75 -1.71 -0.50 0.00 -0.55 0.00 0.00 66.41 64.41 1ajc h THR 17 Cb 1.98 2.22 0.02 0.00 -1.73 0.00 0.00 68.15 70.64 1ajc h THR 17 CO -0.70 0.30 0.05 0.00 -0.25 0.00 0.00 175.52 174.93 1ajc s ALA 18 N -3.10 3.44 0.32 6.62 0.00 0.85 -5.02 121.76 124.86 1ajc s ALA 18 Ca 0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1ajc s ALA 18 Cb 0.07 -2.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.52 1ajc s ALA 18 CO 0.71 -0.14 1.35 -2.30 0.00 0.00 0.00 175.76 175.38 1ajc n PRO 19 N -1.74 2.17 -0.21 0.00 -0.02 -1.26 -1.77 135.00 132.17 1ajc n PRO 19 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1ajc n PRO 19 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1ajc n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajc n GLY 20 N 1.17 0.05 0.30 -1.23 0.00 -1.26 -4.75 105.19 99.47 1ajc n GLY 20 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.27 1ajc n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ajc h GLY 21 N 0.00 0.00 -1.11 -0.02 0.00 -1.49 -2.34 103.07 98.10 1ajc h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ajc h GLY 21 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.51 1ajc n ALA 22 N -2.12 2.59 -1.76 3.60 0.00 -1.26 -0.32 120.51 121.24 1ajc n ALA 22 Ca -0.01 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 52.48 1ajc n ALA 22 Cb 0.19 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1ajc n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ajc s ARG 23 N -2.05 3.57 -0.02 0.00 0.52 -0.88 -4.59 118.95 115.50 1ajc s ARG 23 Ca 0.32 2.15 0.16 0.00 -0.52 0.00 0.00 55.73 57.84 1ajc s ARG 23 Cb 0.20 -2.48 -0.24 0.00 0.52 0.00 0.00 34.95 32.95 1ajc s ARG 23 CO 0.34 -0.82 0.40 0.54 0.02 0.00 0.00 175.30 175.78 1ajc n ARG 24 N -0.49 0.67 -3.90 3.54 1.74 -1.26 -0.30 116.66 116.66 1ajc n ARG 24 Ca 0.07 -0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.67 1ajc n ARG 24 Cb 0.45 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 1ajc n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ajc s LEU 25 N -3.93 4.37 0.00 0.55 1.43 -1.26 -4.48 118.68 115.36 1ajc s LEU 25 Ca -0.04 0.43 0.13 0.00 -1.03 0.00 0.00 54.13 53.61 1ajc s LEU 25 Cb 0.11 -2.23 0.18 0.00 0.03 0.00 0.00 46.19 44.28 1ajc s LEU 25 CO 0.67 0.37 1.03 0.35 0.23 0.00 0.00 176.35 179.00 1ajc n THR 26 N 1.67 0.32 -3.38 5.49 -2.24 -1.26 -5.01 114.28 109.87 1ajc n THR 26 Ca -0.17 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1ajc n THR 26 Cb 0.54 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1ajc n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajc n GLY 27 N 0.71 0.59 3.73 3.38 0.00 -1.26 -5.14 105.19 107.20 1ajc n GLY 27 Ca 0.09 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1ajc n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajc s ASP 28 N 0.84 7.51 0.00 1.61 2.15 -1.26 -4.97 116.67 122.55 1ajc s ASP 28 Ca 0.00 1.82 0.22 0.00 0.43 0.00 0.00 52.55 55.03 1ajc s ASP 28 Cb 0.00 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1ajc s ASP 28 CO 0.00 -0.04 1.09 0.00 -0.17 0.00 0.00 175.17 176.05 1ajc n GLN 29 N 2.61 0.27 -0.30 4.34 1.13 -1.26 -4.54 117.38 119.64 1ajc n GLN 29 Ca 0.02 -0.21 0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1ajc n GLN 29 Cb 0.49 -1.50 0.29 0.00 0.11 0.00 0.00 30.24 29.63 1ajc n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ajc h THR 30 N 0.51 0.39 -0.03 5.09 2.02 -2.00 -0.93 112.91 117.96 1ajc h THR 30 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1ajc h THR 30 Cb 0.55 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ajc h THR 30 CO 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 1ajc h ALA 31 N 1.74 0.05 -0.96 6.16 0.00 -2.01 -2.60 119.26 121.64 1ajc h ALA 31 Ca 0.54 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1ajc h ALA 31 Cb 1.06 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1ajc h ALA 31 CO -0.59 -0.23 0.61 0.00 0.00 0.00 0.00 179.25 179.04 1ajc h ALA 32 N 0.61 1.64 -0.39 0.00 0.00 -1.56 -1.07 119.26 118.49 1ajc h ALA 32 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ajc h ALA 32 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ajc h ALA 32 CO 0.00 0.12 -0.03 -0.07 0.00 0.00 0.00 179.25 179.27 1ajc h LEU 33 N 0.88 0.71 -0.88 0.00 4.07 -1.15 -2.62 115.31 116.33 1ajc h LEU 33 Ca 0.48 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 58.14 1ajc h LEU 33 Cb 0.58 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.08 1ajc h LEU 33 CO -0.25 0.87 0.57 0.03 -1.08 0.00 0.00 178.44 178.58 1ajc h ARG 34 N 0.54 1.10 0.00 1.13 3.08 -0.90 0.28 114.38 119.60 1ajc h ARG 34 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ajc h ARG 34 Cb 0.52 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ajc h ARG 34 CO 0.03 0.73 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 1ajc n ASP 35 N -4.51 0.00 -0.03 7.04 8.00 -0.50 -1.81 116.55 124.74 1ajc n ASP 35 Ca 0.10 0.35 0.10 0.00 0.71 0.00 0.00 54.79 56.06 1ajc n ASP 35 Cb 0.06 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 1ajc n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ajc n SER 36 N -1.42 0.97 -4.61 -2.24 7.64 0.93 -4.43 113.62 110.47 1ajc n SER 36 Ca 0.04 -0.90 -0.40 0.00 1.01 0.00 0.00 58.87 58.62 1ajc n SER 36 Cb 0.13 0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 64.09 1ajc n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ajc s LEU 37 N -2.97 4.05 -0.10 -3.43 1.43 -0.75 -4.68 118.68 112.24 1ajc s LEU 37 Ca 0.09 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1ajc s LEU 37 Cb 0.16 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1ajc s LEU 37 CO 0.82 -0.28 0.30 -0.55 0.23 0.00 0.00 176.35 176.87 1ajc s SER 38 N 1.56 -0.28 -0.02 2.29 0.15 -1.26 -5.02 113.70 111.11 1ajc s SER 38 Ca 0.20 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.44 1ajc s SER 38 Cb -0.16 0.56 0.23 0.00 -1.71 0.00 0.00 66.02 64.94 1ajc s SER 38 CO 0.09 -0.16 1.18 -0.90 1.20 0.00 0.00 173.24 174.65 1ajc n ASP 39 N 2.64 2.68 -4.72 5.45 5.68 -1.26 -1.35 116.55 125.68 1ajc n ASP 39 Ca -0.14 -2.15 -0.34 0.00 -0.50 0.00 0.00 54.79 51.66 1ajc n ASP 39 Cb 0.58 -0.19 0.10 0.00 -1.14 0.00 0.00 41.12 40.46 1ajc n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1ajc s LYS 40 N -1.26 2.08 0.45 0.11 -2.85 -1.26 -4.84 119.74 112.18 1ajc s LYS 40 Ca 0.18 1.75 -0.24 0.00 -1.00 0.00 0.00 55.97 56.66 1ajc s LYS 40 Cb 0.11 -1.83 -0.07 0.00 -2.06 0.00 0.00 37.83 33.98 1ajc s LYS 40 CO 0.09 -1.88 1.22 -2.14 0.10 0.00 0.00 175.35 172.75 1ajc s PRO 41 N -3.95 3.74 -0.11 1.78 0.02 -1.26 -4.51 135.00 130.71 1ajc s PRO 41 Ca 0.74 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 63.54 1ajc s PRO 41 Cb -0.29 -2.49 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 1ajc s PRO 41 CO 0.46 -0.61 0.39 0.00 -0.33 0.00 0.00 177.00 176.91 1ajc s ALA 42 N -1.43 3.57 -0.05 -1.55 0.00 -0.71 -4.96 121.76 116.63 1ajc s ALA 42 Ca 0.63 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1ajc s ALA 42 Cb -0.33 -2.49 -0.31 0.00 0.00 0.00 0.00 23.12 19.99 1ajc s ALA 42 CO 0.40 0.13 0.85 -0.22 0.00 0.00 0.00 175.76 176.92 1ajc h LYS 43 N 6.33 0.31 -5.64 0.00 3.64 -0.63 -3.38 116.57 117.19 1ajc h LYS 43 Ca -0.43 -0.52 -0.48 0.00 -1.27 0.00 0.00 60.65 57.94 1ajc h LYS 43 Cb 1.18 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 1ajc h LYS 43 CO 0.73 1.25 -0.73 -0.80 -2.27 0.00 0.00 179.45 177.63 1ajc s ASN 44 N -7.02 2.75 -0.03 4.20 0.01 -1.08 -3.53 114.94 110.24 1ajc s ASN 44 Ca -0.14 -1.05 -0.00 0.00 -0.71 0.00 0.00 52.86 50.95 1ajc s ASN 44 Cb 0.02 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.54 1ajc s ASN 44 CO 0.83 -0.17 0.02 -0.63 -1.51 0.00 0.00 177.10 175.63 1ajc s ILE 45 N -2.92 0.07 -0.16 0.60 1.01 -0.73 -1.41 121.20 117.65 1ajc s ILE 45 Ca 0.25 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1ajc s ILE 45 Cb -0.00 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.29 1ajc s ILE 45 CO 0.09 0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 174.33 1ajc s ILE 46 N 1.17 1.97 -0.29 2.92 1.01 -0.00 -0.63 121.20 127.35 1ajc s ILE 46 Ca -0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.68 1ajc s ILE 46 Cb -0.13 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.62 1ajc s ILE 46 CO -0.02 0.53 -0.03 -0.22 0.00 0.00 0.00 174.94 175.19 1ajc s LEU 47 N 1.18 3.78 -0.33 2.97 2.96 -0.20 -1.09 118.68 127.95 1ajc s LEU 47 Ca 0.01 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.43 1ajc s LEU 47 Cb -0.14 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1ajc s LEU 47 CO -0.09 -0.24 0.34 -0.76 -1.32 0.00 0.00 176.35 174.28 1ajc s LEU 48 N 1.19 4.35 -0.26 -0.68 2.01 0.92 -0.92 118.68 125.30 1ajc s LEU 48 Ca -0.06 -0.15 -0.06 0.00 0.01 0.00 0.00 54.13 53.86 1ajc s LEU 48 Cb -0.20 -2.32 -0.01 0.00 0.01 0.00 0.00 46.19 43.67 1ajc s LEU 48 CO -0.03 -0.29 0.05 -0.63 1.01 0.00 0.00 176.35 176.47 1ajc s ILE 49 N 1.98 3.98 -0.48 -0.59 -1.09 0.63 -1.80 121.20 123.83 1ajc s ILE 49 Ca 0.11 -0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 57.94 1ajc s ILE 49 Cb -0.16 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.86 1ajc s ILE 49 CO 0.11 0.27 0.51 -0.83 -1.23 0.00 0.00 174.94 173.77 1ajc s GLY 50 N 1.55 1.89 -0.49 6.18 0.00 0.35 -1.70 107.32 115.10 1ajc s GLY 50 Ca 0.05 -1.85 -0.26 0.00 0.00 0.00 0.00 44.72 42.66 1ajc s GLY 50 CO 0.02 1.27 2.42 0.99 0.00 0.00 0.00 173.10 177.79 1ajc s ASP 51 N 2.52 4.42 0.00 1.64 1.11 -1.01 -1.60 116.67 123.75 1ajc s ASP 51 Ca 0.10 1.09 0.00 0.00 0.18 0.00 0.00 52.55 53.92 1ajc s ASP 51 Cb -0.21 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1ajc s ASP 51 CO 0.10 -2.90 0.00 0.61 1.18 0.00 0.00 175.17 174.17 1ajc n GLY 52 N 6.01 0.82 3.38 0.21 0.00 -1.23 -1.14 105.19 113.24 1ajc n GLY 52 Ca 0.37 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1ajc n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ajc n MET 53 N -2.35 2.95 -1.95 1.61 0.00 -0.63 -3.90 117.12 112.86 1ajc n MET 53 Ca 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 57.70 54.41 1ajc n MET 53 Cb 0.00 -3.46 0.17 0.00 0.00 0.00 0.00 33.22 29.93 1ajc n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ajc n GLY 54 N 5.13 -0.87 0.34 -5.12 0.00 -1.26 -4.42 105.19 98.99 1ajc n GLY 54 Ca 0.49 -1.80 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1ajc n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ajc h ASP 55 N -1.31 0.70 -0.81 1.61 3.32 -1.92 -1.53 116.42 116.47 1ajc h ASP 55 Ca -0.37 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1ajc h ASP 55 Cb 1.11 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1ajc h ASP 55 CO 0.29 0.48 0.36 -1.28 -1.72 0.00 0.00 179.24 177.37 1ajc h SER 56 N 0.81 1.10 0.05 6.45 0.87 -1.92 -1.10 113.55 119.81 1ajc h SER 56 Ca 0.28 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 1ajc h SER 56 Cb 0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1ajc h SER 56 CO -0.08 0.95 -0.43 -0.33 -0.53 0.00 0.00 176.83 176.41 1ajc h GLU 57 N 1.17 0.47 -0.09 2.24 3.07 -1.59 -1.72 114.58 118.13 1ajc h GLU 57 Ca 0.28 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1ajc h GLU 57 Cb 0.17 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1ajc h GLU 57 CO -0.03 0.81 -0.04 0.82 -1.40 0.00 0.00 179.01 179.17 1ajc h ILE 58 N 0.38 1.31 -0.41 3.13 2.04 -1.00 -2.23 117.51 120.75 1ajc h ILE 58 Ca 0.03 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1ajc h ILE 58 Cb 0.91 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1ajc h ILE 58 CO 0.08 0.29 0.06 0.74 0.00 0.00 0.00 178.15 179.32 1ajc h THR 59 N -0.17 1.20 -0.57 -0.27 2.02 -1.19 -0.39 112.91 113.54 1ajc h THR 59 Ca 0.02 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1ajc h THR 59 Cb 0.47 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1ajc h THR 59 CO 0.01 0.27 0.03 0.00 0.37 0.00 0.00 175.52 176.20 1ajc h ALA 60 N 1.47 0.77 -0.17 6.16 0.00 -1.25 -1.50 119.26 124.74 1ajc h ALA 60 Ca 0.13 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1ajc h ALA 60 Cb 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ajc h ALA 60 CO 0.00 0.57 -0.73 0.00 0.00 0.00 0.00 179.25 179.09 1ajc h ALA 61 N 0.98 0.37 0.63 0.00 0.00 -1.00 -2.88 119.26 117.36 1ajc h ALA 61 Ca 0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1ajc h ALA 61 Cb 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ajc h ALA 61 CO 0.02 0.69 -0.30 -0.09 0.00 0.00 0.00 179.25 179.57 1ajc h ARG 62 N 0.54 -0.81 -0.78 0.00 2.43 -1.03 -0.70 114.38 114.03 1ajc h ARG 62 Ca -0.04 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1ajc h ARG 62 Cb 1.35 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.99 1ajc h ARG 62 CO 0.15 -0.49 -0.46 0.09 -1.51 0.00 0.00 179.97 177.74 1ajc n ASN 63 N -5.39 -0.83 0.01 -3.80 3.02 -0.57 0.58 115.26 108.28 1ajc n ASN 63 Ca -0.12 1.58 -0.12 0.00 -0.03 0.00 0.00 54.58 55.89 1ajc n ASN 63 Cb 0.36 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.17 1ajc n ASN 63 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ajc h TYR 64 N 0.00 0.02 0.16 3.10 5.03 -1.54 -0.12 116.97 123.62 1ajc h TYR 64 Ca 0.12 -0.00 -0.30 0.00 2.58 0.00 0.00 58.73 61.14 1ajc h TYR 64 Cb 0.32 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.61 1ajc h TYR 64 CO -0.99 0.21 -1.33 0.00 -1.32 0.00 0.00 178.16 174.73 1ajc h ALA 65 N 0.81 0.03 -0.00 1.82 0.00 -0.61 -1.15 119.26 120.16 1ajc h ALA 65 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ajc h ALA 65 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ajc h ALA 65 CO -0.00 0.91 -0.21 0.39 0.00 0.00 0.00 179.25 180.34 1ajc n GLU 66 N -3.58 4.37 0.00 0.00 -0.58 0.19 -4.82 120.64 116.23 1ajc n GLU 66 Ca -0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 1ajc n GLU 66 Cb 1.05 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 1ajc n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ajc n GLY 67 N 1.00 0.40 0.38 0.62 0.00 -0.06 -3.41 105.19 104.12 1ajc n GLY 67 Ca 0.01 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1ajc n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajc h ALA 68 N 0.00 1.98 -0.45 4.61 0.00 -1.80 0.45 119.26 124.04 1ajc h ALA 68 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ajc h ALA 68 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ajc h ALA 68 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1ajc n GLY 69 N -1.48 1.61 2.55 0.00 0.00 -1.26 -4.84 105.19 101.76 1ajc n GLY 69 Ca 0.16 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1ajc n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajc n GLY 70 N 1.02 -2.04 3.16 -0.02 0.00 0.16 -0.56 105.19 106.91 1ajc n GLY 70 Ca 0.17 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1ajc n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ajc s PHE 71 N -2.69 -0.50 -0.30 1.61 5.36 -1.26 -4.61 117.98 115.60 1ajc s PHE 71 Ca 0.51 1.09 -0.24 0.00 -0.96 0.00 0.00 56.93 57.33 1ajc s PHE 71 Cb -0.03 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1ajc s PHE 71 CO 0.37 -0.32 0.82 -0.06 -1.46 0.00 0.00 175.22 174.57 1ajc s PHE 72 N 1.60 3.22 -0.75 10.12 0.08 -1.26 -4.92 117.98 126.07 1ajc s PHE 72 Ca -0.07 0.90 0.10 0.00 0.12 0.00 0.00 56.93 57.98 1ajc s PHE 72 Cb -0.10 -3.23 0.50 0.00 -0.57 0.00 0.00 43.02 39.62 1ajc s PHE 72 CO -0.11 -0.55 1.32 1.63 -0.10 0.00 0.00 175.22 177.41 1ajc n LYS 73 N 6.22 0.05 0.00 0.44 4.01 -1.26 -2.16 118.16 125.47 1ajc n LYS 73 Ca 0.05 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.33 1ajc n LYS 73 Cb 0.48 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 1ajc n LYS 73 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ajc n GLY 74 N -1.04 -0.18 0.41 0.72 0.00 -1.26 -4.40 105.19 99.43 1ajc n GLY 74 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.23 1ajc n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ajc h ILE 75 N 0.00 0.63 -0.02 -0.61 2.04 -1.80 -1.81 117.51 115.94 1ajc h ILE 75 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ajc h ILE 75 Cb 0.00 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1ajc h ILE 75 CO 0.00 0.07 -0.34 0.47 0.00 0.00 0.00 178.15 178.35 1ajc n ASP 76 N -4.54 2.25 -0.01 1.72 8.00 -0.92 -4.40 116.55 118.66 1ajc n ASP 76 Ca 0.21 -1.63 0.14 0.00 0.71 0.00 0.00 54.79 54.23 1ajc n ASP 76 Cb 0.76 0.35 0.66 0.00 -0.02 0.00 0.00 41.12 42.88 1ajc n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajc n ALA 77 N 0.33 2.52 -2.45 2.24 0.00 -0.68 -4.80 120.51 117.66 1ajc n ALA 77 Ca 0.10 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1ajc n ALA 77 Cb 0.49 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1ajc n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajc s LEU 78 N -2.74 3.83 0.15 0.00 1.02 -1.26 -0.95 118.68 118.74 1ajc s LEU 78 Ca 0.22 1.09 -0.17 0.00 0.02 0.00 0.00 54.13 55.29 1ajc s LEU 78 Cb 0.20 -3.54 0.06 0.00 0.02 0.00 0.00 46.19 42.93 1ajc s LEU 78 CO 0.50 -1.11 1.71 1.55 0.02 0.00 0.00 176.35 179.02 1ajc h PRO 79 N 9.30 0.09 -5.44 1.29 0.13 -1.85 -3.43 132.00 132.09 1ajc h PRO 79 Ca -0.25 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.27 1ajc h PRO 79 Cb 1.09 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 1ajc h PRO 79 CO 1.05 0.06 -0.15 -0.51 -0.23 0.00 0.00 178.00 178.22 1ajc s LEU 80 N -10.45 4.14 0.10 1.56 2.01 -1.09 -5.00 118.68 109.95 1ajc s LEU 80 Ca -0.13 0.55 0.06 0.00 0.01 0.00 0.00 54.13 54.62 1ajc s LEU 80 Cb 0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 43.72 1ajc s LEU 80 CO 0.70 -0.12 -0.16 0.42 1.01 0.00 0.00 176.35 178.20 1ajc s THR 81 N 1.48 1.37 0.00 5.49 -4.23 -1.26 -1.02 115.64 117.47 1ajc s THR 81 Ca 0.20 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1ajc s THR 81 Cb -0.15 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1ajc s THR 81 CO 0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1ajc n GLY 82 N 0.92 2.99 2.88 3.99 0.00 -0.35 -4.06 105.19 111.56 1ajc n GLY 82 Ca -0.18 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 1ajc n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ajc s GLN 83 N 0.27 0.33 0.03 1.61 1.11 -0.99 -2.72 119.66 119.31 1ajc s GLN 83 Ca 0.00 -0.04 0.05 0.00 0.01 0.00 0.00 55.36 55.38 1ajc s GLN 83 Cb 0.00 -0.40 -0.02 0.00 -1.01 0.00 0.00 33.01 31.58 1ajc s GLN 83 CO 0.00 -0.02 -0.14 1.52 0.01 0.00 0.00 175.29 176.66 1ajc s TYR 84 N 0.45 1.24 0.28 0.91 -0.85 -0.90 -1.33 117.35 117.15 1ajc s TYR 84 Ca -0.04 -0.34 -0.15 0.00 -0.52 0.00 0.00 57.07 56.02 1ajc s TYR 84 Cb -0.08 -0.75 -0.08 0.00 0.38 0.00 0.00 41.96 41.43 1ajc s TYR 84 CO -0.01 0.03 0.70 0.95 -1.52 0.00 0.00 175.55 175.70 1ajc s THR 85 N -0.78 4.71 -0.30 -3.49 -4.23 -0.32 -2.88 115.64 108.35 1ajc s THR 85 Ca 0.02 0.93 0.19 0.00 -1.18 0.00 0.00 61.69 61.66 1ajc s THR 85 Cb -0.07 -3.66 0.48 0.00 1.34 0.00 0.00 72.50 70.58 1ajc s THR 85 CO 0.01 -0.08 1.07 0.00 -0.54 0.00 0.00 174.62 175.08 1ajc n HIS 86 N -0.09 0.86 -2.21 3.99 1.44 -1.26 -0.63 115.22 117.31 1ajc n HIS 86 Ca 0.02 -2.42 -0.33 0.00 -2.01 0.00 0.00 57.72 52.98 1ajc n HIS 86 Cb 0.53 -0.12 -0.01 0.00 0.12 0.00 0.00 29.99 30.51 1ajc n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1ajc s TYR 87 N -3.09 3.11 0.01 -1.40 1.13 -1.26 -4.31 117.35 111.53 1ajc s TYR 87 Ca 0.26 1.51 0.00 0.00 -1.41 0.00 0.00 57.07 57.43 1ajc s TYR 87 Cb 0.40 -2.96 0.00 0.00 -1.10 0.00 0.00 41.96 38.30 1ajc s TYR 87 CO -0.01 -0.88 0.01 0.00 -2.51 0.00 0.00 175.55 172.16 1ajc n ALA 88 N -1.76 0.01 -2.65 9.51 0.00 0.01 -4.87 120.51 120.76 1ajc n ALA 88 Ca 0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1ajc n ALA 88 Cb 0.53 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 1ajc n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajc s LEU 89 N 0.00 2.27 -0.30 0.00 1.43 0.81 -0.61 118.68 122.28 1ajc s LEU 89 Ca 0.01 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1ajc s LEU 89 Cb -0.00 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1ajc s LEU 89 CO 0.01 -0.02 0.85 0.21 0.23 0.00 0.00 176.35 177.63 1ajc s ASN 90 N -1.72 6.75 0.37 2.29 3.84 0.14 -3.77 114.94 122.84 1ajc s ASN 90 Ca 0.01 0.80 0.14 0.00 0.21 0.00 0.00 52.86 54.02 1ajc s ASN 90 Cb -0.10 -2.44 0.96 0.00 -0.55 0.00 0.00 41.25 39.13 1ajc s ASN 90 CO 0.03 -0.65 1.79 0.50 -2.79 0.00 0.00 177.10 175.97 1ajc h LYS 91 N 8.04 0.52 0.10 0.43 3.64 -1.92 0.41 116.57 127.79 1ajc h LYS 91 Ca -0.23 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1ajc h LYS 91 Cb 1.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1ajc h LYS 91 CO 0.91 0.34 -0.05 0.87 -2.27 0.00 0.00 179.45 179.26 1ajc h LYS 92 N 0.53 -0.13 0.00 1.90 1.79 -1.94 -3.38 116.57 115.33 1ajc h LYS 92 Ca 0.56 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.88 1ajc h LYS 92 Cb 1.21 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1ajc h LYS 92 CO -0.31 -0.09 -0.75 1.79 -1.08 0.00 0.00 179.45 179.02 1ajc h THR 93 N -0.81 1.51 0.00 -0.16 1.35 -1.98 -3.47 112.91 109.34 1ajc h THR 93 Ca -0.01 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1ajc h THR 93 Cb 0.11 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1ajc h THR 93 CO 0.02 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1ajc n GLY 94 N 0.67 0.61 3.94 5.82 0.00 0.14 -5.01 105.19 111.37 1ajc n GLY 94 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1ajc n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajc s LYS 95 N -0.17 2.11 0.37 1.61 1.02 -1.25 -4.67 119.74 118.76 1ajc s LYS 95 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 1ajc s LYS 95 Cb 0.00 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 1ajc s LYS 95 CO 0.00 -1.25 1.19 -2.14 -0.92 0.00 0.00 175.35 172.23 1ajc s PRO 96 N -5.20 4.17 -0.37 -1.68 0.02 -1.26 0.28 135.00 130.96 1ajc s PRO 96 Ca 0.61 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1ajc s PRO 96 Cb -0.10 -2.80 0.10 0.00 0.02 0.00 0.00 34.50 31.72 1ajc s PRO 96 CO 0.44 -0.24 0.12 0.34 -0.33 0.00 0.00 177.00 177.33 1ajc s ASP 97 N -0.99 4.98 0.54 2.53 -1.08 0.22 -4.63 116.67 118.24 1ajc s ASP 97 Ca 0.54 -2.07 0.17 0.00 -0.52 0.00 0.00 52.55 50.68 1ajc s ASP 97 Cb -0.32 -1.72 0.95 0.00 -1.46 0.00 0.00 42.92 40.37 1ajc s ASP 97 CO 0.41 -0.45 1.49 1.88 0.52 0.00 0.00 175.17 179.02 1ajc h TYR 98 N 7.82 0.00 -3.33 -5.34 0.05 -1.94 0.06 116.97 114.28 1ajc h TYR 98 Ca -0.09 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.16 1ajc h TYR 98 Cb 1.03 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 38.39 1ajc h TYR 98 CO 0.51 0.00 -0.78 0.08 -1.05 0.00 0.00 178.16 176.92 1ajc s VAL 99 N -3.78 0.88 0.54 -2.88 1.01 -1.26 -4.20 120.40 110.71 1ajc s VAL 99 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1ajc s VAL 99 Cb 0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1ajc s VAL 99 CO 0.16 0.03 0.87 0.28 0.00 0.00 0.00 175.10 176.43 1ajc s THR 100 N 1.72 4.51 0.46 3.92 -1.32 -1.26 -4.73 115.64 118.94 1ajc s THR 100 Ca 0.00 0.28 0.08 0.00 -1.21 0.00 0.00 61.69 60.84 1ajc s THR 100 Cb -0.16 -3.75 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1ajc s THR 100 CO -0.07 -0.80 0.55 1.51 -2.21 0.00 0.00 174.62 173.60 1ajc s ASP 101 N -4.18 5.28 0.24 8.08 -4.77 -1.26 -4.91 116.67 115.15 1ajc s ASP 101 Ca 0.51 -0.67 -0.06 0.00 -3.30 0.00 0.00 52.55 49.02 1ajc s ASP 101 Cb -0.10 -0.34 0.29 0.00 -1.09 0.00 0.00 42.92 41.67 1ajc s ASP 101 CO 0.47 -0.88 1.87 0.28 0.70 0.00 0.00 175.17 177.60 1ajc h SER 102 N 0.66 0.90 0.13 2.11 0.02 -1.99 -3.01 113.55 112.37 1ajc h SER 102 Ca -0.38 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1ajc h SER 102 Cb 1.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1ajc h SER 102 CO 0.49 0.60 -0.15 0.00 -1.14 0.00 0.00 176.83 176.63 1ajc h ALA 103 N 1.38 -0.28 0.19 3.77 0.00 -1.86 -0.86 119.26 121.60 1ajc h ALA 103 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ajc h ALA 103 Cb 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ajc h ALA 103 CO -0.14 -0.68 -0.21 0.00 0.00 0.00 0.00 179.25 178.22 1ajc h ALA 104 N 0.51 -0.42 -0.27 0.00 0.00 -1.65 -2.06 119.26 115.37 1ajc h ALA 104 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ajc h ALA 104 Cb 0.31 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1ajc h ALA 104 CO -0.05 -0.77 0.02 0.66 0.00 0.00 0.00 179.25 179.11 1ajc h SER 105 N -0.45 -0.06 -0.80 0.00 4.64 -1.50 -1.83 113.55 113.56 1ajc h SER 105 Ca 0.01 0.06 0.18 0.00 -0.47 0.00 0.00 61.79 61.56 1ajc h SER 105 Cb 0.43 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 1ajc h SER 105 CO -0.07 0.00 0.54 0.00 -0.87 0.00 0.00 176.83 176.43 1ajc h ALA 106 N 1.22 2.27 -0.00 5.18 0.00 -0.91 -1.50 119.26 125.52 1ajc h ALA 106 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ajc h ALA 106 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ajc h ALA 106 CO -0.20 -0.50 -0.01 1.15 0.00 0.00 0.00 179.25 179.69 1ajc h THR 107 N 0.32 1.52 -0.87 0.00 2.02 -0.64 -2.60 112.91 112.67 1ajc h THR 107 Ca 0.40 -1.54 0.19 0.00 0.77 0.00 0.00 66.41 66.23 1ajc h THR 107 Cb 1.07 2.55 -0.16 0.00 -1.74 0.00 0.00 68.15 69.87 1ajc h THR 107 CO -0.11 0.40 -0.14 0.00 0.37 0.00 0.00 175.52 176.03 1ajc h ALA 108 N 0.35 0.70 0.02 6.16 0.00 -0.60 0.23 119.26 126.13 1ajc h ALA 108 Ca -0.00 0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 1ajc h ALA 108 Cb 0.66 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1ajc h ALA 108 CO 0.00 -0.43 -1.26 0.11 0.00 0.00 0.00 179.25 177.68 1ajc h TRP 109 N 0.02 0.08 0.00 0.00 0.09 -1.61 -0.62 115.95 113.91 1ajc h TRP 109 Ca 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 58.89 59.37 1ajc h TRP 109 Cb 0.74 -0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.98 1ajc h TRP 109 CO -0.61 1.06 -0.43 0.66 0.09 0.00 0.00 178.44 179.21 1ajc h SER 110 N 0.01 0.00 0.00 0.11 4.64 -0.84 -3.18 113.55 114.29 1ajc h SER 110 Ca -0.11 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ajc h SER 110 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1ajc h SER 110 CO 0.12 0.07 -0.58 1.07 -0.87 0.00 0.00 176.83 176.64 1ajc n THR 111 N -2.19 0.00 -0.53 2.95 5.66 0.71 0.12 114.28 121.00 1ajc n THR 111 Ca 0.04 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1ajc n THR 111 Cb 0.44 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1ajc n THR 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ajc n GLY 112 N 1.55 0.96 3.30 1.09 0.00 -0.24 -4.89 105.19 106.96 1ajc n GLY 112 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ajc n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajc s VAL 113 N -3.15 1.93 0.71 1.61 0.11 -1.25 -4.89 120.40 115.46 1ajc s VAL 113 Ca 0.00 -1.25 -0.11 0.00 -2.93 0.00 0.00 61.98 57.69 1ajc s VAL 113 Cb 0.00 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1ajc s VAL 113 CO 0.00 0.34 1.07 -0.54 -3.33 0.00 0.00 175.10 172.64 1ajc s LYS 114 N -1.09 2.83 0.24 1.54 -0.14 -1.26 -3.61 119.74 118.24 1ajc s LYS 114 Ca 0.10 1.01 -0.06 0.00 -1.36 0.00 0.00 55.97 55.66 1ajc s LYS 114 Cb -0.09 -1.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1ajc s LYS 114 CO 0.01 -1.19 0.42 -2.37 -0.76 0.00 0.00 175.35 171.46 1ajc n THR 115 N -3.16 0.00 -3.61 2.17 5.66 -1.26 -4.51 114.28 109.57 1ajc n THR 115 Ca 0.08 -0.83 -0.34 0.00 -3.05 0.00 0.00 64.05 59.91 1ajc n THR 115 Cb 0.53 0.65 -0.05 0.00 -1.55 0.00 0.00 70.33 69.91 1ajc n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1ajc s TYR 116 N -4.31 3.54 0.00 1.09 1.13 -1.25 -0.13 117.35 117.42 1ajc s TYR 116 Ca 0.13 0.71 -0.37 0.00 -1.41 0.00 0.00 57.07 56.13 1ajc s TYR 116 Cb -0.02 -2.11 -0.16 0.00 -1.10 0.00 0.00 41.96 38.57 1ajc s TYR 116 CO 0.10 0.49 1.46 0.09 -2.51 0.00 0.00 175.55 175.17 1ajc n ASN 117 N 0.62 1.93 0.00 -0.18 3.02 -1.26 -1.61 115.26 117.77 1ajc n ASN 117 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1ajc n ASN 117 Cb 0.52 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1ajc n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ajc n GLY 118 N 2.99 2.79 3.77 7.41 0.00 -1.26 -4.93 105.19 115.96 1ajc n GLY 118 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1ajc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajc s ALA 119 N -2.62 3.12 -0.37 4.61 0.00 -0.63 -0.95 121.76 124.91 1ajc s ALA 119 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1ajc s ALA 119 Cb 0.00 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.83 1ajc s ALA 119 CO 0.00 -0.63 0.15 -0.51 0.00 0.00 0.00 175.76 174.78 1ajc s LEU 120 N -2.64 2.68 -0.28 0.00 1.43 -0.62 -3.84 118.68 115.41 1ajc s LEU 120 Ca 0.59 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 1ajc s LEU 120 Cb -0.31 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1ajc s LEU 120 CO 0.39 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1ajc n GLY 121 N 4.25 0.41 3.03 -3.19 0.00 -1.25 -0.64 105.19 107.79 1ajc n GLY 121 Ca 0.03 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1ajc n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajc s VAL 122 N -2.13 0.20 0.32 1.61 -7.23 -1.26 -2.80 120.40 109.11 1ajc s VAL 122 Ca 0.00 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1ajc s VAL 122 Cb 0.00 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.22 1ajc s VAL 122 CO 0.00 -0.68 0.44 -0.90 -0.31 0.00 0.00 175.10 173.64 1ajc n ASP 123 N 1.00 0.63 0.30 4.85 5.68 -0.84 -4.80 116.55 123.37 1ajc n ASP 123 Ca -0.20 -1.52 0.16 0.00 -0.50 0.00 0.00 54.79 52.73 1ajc n ASP 123 Cb 0.57 -0.28 0.94 0.00 -1.14 0.00 0.00 41.12 41.22 1ajc n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1ajc h ILE 124 N -0.43 0.44 -0.34 2.12 3.07 -1.92 0.13 117.51 120.58 1ajc h ILE 124 Ca -0.14 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.18 1ajc h ILE 124 Cb 0.55 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 1ajc h ILE 124 CO 0.16 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 178.69 1ajc n HIS 125 N -3.68 0.72 -1.47 0.16 8.25 -1.26 -4.89 115.22 113.05 1ajc n HIS 125 Ca -0.03 -0.30 -0.16 0.00 -0.26 0.00 0.00 57.72 56.97 1ajc n HIS 125 Cb 0.10 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 1ajc n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ajc n GLU 126 N 0.47 -1.26 -2.81 -0.41 1.02 0.46 -4.98 120.64 113.13 1ajc n GLU 126 Ca 0.13 1.06 -0.41 0.00 -0.02 0.00 0.00 57.16 57.93 1ajc n GLU 126 Cb 0.48 -5.31 -0.04 0.00 -0.02 0.00 0.00 31.44 26.55 1ajc n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ajc s LYS 127 N -3.35 4.61 0.48 3.49 2.36 -1.26 -4.74 119.74 121.33 1ajc s LYS 127 Ca 0.00 1.32 -0.22 0.00 -2.55 0.00 0.00 55.97 54.52 1ajc s LYS 127 Cb 0.00 -3.39 -0.07 0.00 -1.05 0.00 0.00 37.83 33.32 1ajc s LYS 127 CO 0.00 0.19 1.13 -0.51 1.55 0.00 0.00 175.35 177.71 1ajc s ASP 128 N 0.16 6.14 -0.03 1.43 1.01 -1.26 -1.98 116.67 122.13 1ajc s ASP 128 Ca 0.45 2.19 0.01 0.00 0.71 0.00 0.00 52.55 55.91 1ajc s ASP 128 Cb -0.22 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.14 1ajc s ASP 128 CO 0.27 -0.93 -0.02 -1.00 0.21 0.00 0.00 175.17 173.70 1ajc s HIS 129 N -1.67 0.48 0.08 4.23 3.76 -1.12 -4.94 115.29 116.11 1ajc s HIS 129 Ca 0.66 -0.08 -0.31 0.00 -0.15 0.00 0.00 55.06 55.18 1ajc s HIS 129 Cb -0.25 -0.50 -0.09 0.00 1.11 0.00 0.00 32.58 32.86 1ajc s HIS 129 CO 0.30 -0.14 1.72 -1.25 -0.85 0.00 0.00 174.74 174.51 1ajc s PRO 130 N 0.90 4.18 0.76 8.40 0.04 -1.26 -4.88 135.00 143.14 1ajc s PRO 130 Ca -0.10 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1ajc s PRO 130 Cb -0.13 -3.63 0.04 0.00 0.04 0.00 0.00 34.50 30.82 1ajc s PRO 130 CO -0.01 -0.78 1.08 0.95 0.04 0.00 0.00 177.00 178.28 1ajc s THR 131 N 2.79 3.52 0.49 1.26 -4.23 -1.26 -4.66 115.64 113.56 1ajc s THR 131 Ca 0.76 0.49 0.14 0.00 -1.18 0.00 0.00 61.69 61.91 1ajc s THR 131 Cb -0.41 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1ajc s THR 131 CO 0.34 -0.65 2.12 -0.29 -0.54 0.00 0.00 174.62 175.60 1ajc h ILE 132 N -0.98 1.03 -0.24 2.99 6.09 0.62 -1.72 117.51 125.30 1ajc h ILE 132 Ca -0.45 -0.09 -0.18 0.00 -1.37 0.00 0.00 64.86 62.78 1ajc h ILE 132 Cb 1.23 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1ajc h ILE 132 CO 0.56 0.03 -0.55 0.25 -3.07 0.00 0.00 178.15 175.37 1ajc h LEU 133 N 0.10 0.90 -1.30 2.19 6.46 -1.83 -0.43 115.31 121.40 1ajc h LEU 133 Ca 0.03 -0.56 -0.07 0.00 -0.12 0.00 0.00 57.88 57.16 1ajc h LEU 133 Cb 0.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 1ajc h LEU 133 CO -0.00 1.29 -0.28 -0.33 -0.62 0.00 0.00 178.44 178.50 1ajc h GLU 134 N 0.54 0.12 0.08 1.25 5.08 -1.53 -1.83 114.58 118.30 1ajc h GLU 134 Ca 0.00 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 1ajc h GLU 134 Cb 1.16 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.43 1ajc h GLU 134 CO 0.12 0.39 -1.18 0.52 -1.00 0.00 0.00 179.01 177.86 1ajc h MET 135 N 0.11 0.65 0.02 2.33 2.86 -1.19 -1.34 114.93 118.37 1ajc h MET 135 Ca 0.02 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 1ajc h MET 135 Cb 0.55 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1ajc h MET 135 CO 0.04 1.37 -0.04 0.00 1.06 0.00 0.00 176.91 179.34 1ajc h ALA 136 N 0.32 -0.06 -0.99 6.32 0.00 -0.88 -2.06 119.26 121.90 1ajc h ALA 136 Ca -0.17 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ajc h ALA 136 Cb 1.85 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 1ajc h ALA 136 CO 0.23 -0.54 0.65 -0.22 0.00 0.00 0.00 179.25 179.37 1ajc h LYS 137 N -0.09 1.28 -0.39 0.00 3.64 -1.39 -1.57 116.57 118.06 1ajc h LYS 137 Ca 0.01 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ajc h LYS 137 Cb 0.09 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1ajc h LYS 137 CO -0.03 0.85 0.18 0.00 -2.27 0.00 0.00 179.45 178.18 1ajc h ALA 138 N 1.37 1.59 -0.14 5.00 0.00 -0.80 -0.18 119.26 126.09 1ajc h ALA 138 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ajc h ALA 138 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ajc h ALA 138 CO -0.09 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ajc n ALA 139 N -2.48 2.49 -0.98 0.00 0.00 -0.66 -4.89 120.51 114.00 1ajc n ALA 139 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ajc n ALA 139 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ajc n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajc n GLY 140 N 0.70 0.46 3.93 0.00 0.00 -0.08 -5.05 105.19 105.15 1ajc n GLY 140 Ca 0.05 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1ajc n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajc s LEU 141 N 0.00 3.29 0.43 0.99 1.02 -0.81 -4.82 118.68 118.77 1ajc s LEU 141 Ca 0.00 0.56 -0.12 0.00 0.02 0.00 0.00 54.13 54.59 1ajc s LEU 141 Cb 0.00 -3.38 -0.07 0.00 0.02 0.00 0.00 46.19 42.76 1ajc s LEU 141 CO 0.00 -1.04 0.82 0.00 0.02 0.00 0.00 176.35 176.15 1ajc s ALA 142 N -2.91 3.28 -0.00 4.21 0.00 -0.62 -4.25 121.76 121.47 1ajc s ALA 142 Ca 0.53 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1ajc s ALA 142 Cb -0.10 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1ajc s ALA 142 CO 0.43 -0.05 -0.09 0.95 0.00 0.00 0.00 175.76 177.00 1ajc s THR 143 N -2.42 0.70 0.00 0.00 -4.23 -1.26 -1.04 115.64 107.39 1ajc s THR 143 Ca 0.53 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1ajc s THR 143 Cb -0.10 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 1ajc s THR 143 CO 0.31 0.16 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.71 1ajc s GLY 144 N -0.29 0.09 -0.22 3.99 0.00 -0.12 -1.98 107.32 108.78 1ajc s GLY 144 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 1ajc s GLY 144 CO -0.00 -0.10 0.05 0.21 0.00 0.00 0.00 173.10 173.26 1ajc s ASN 145 N -0.14 3.08 0.11 1.64 3.84 0.01 -2.29 114.94 121.18 1ajc s ASN 145 Ca -0.01 -0.95 0.10 0.00 0.21 0.00 0.00 52.86 52.22 1ajc s ASN 145 Cb -0.01 -0.59 -0.04 0.00 -0.55 0.00 0.00 41.25 40.06 1ajc s ASN 145 CO -0.00 -0.33 -0.27 -0.69 -2.79 0.00 0.00 177.10 173.02 1ajc s VAL 146 N 1.86 2.24 -0.03 -5.21 1.01 -0.18 -1.14 120.40 118.95 1ajc s VAL 146 Ca 0.01 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.05 1ajc s VAL 146 Cb -0.17 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.36 1ajc s VAL 146 CO -0.12 0.17 0.91 -0.55 0.00 0.00 0.00 175.10 175.50 1ajc s SER 147 N -1.83 -0.36 0.00 3.32 0.15 -0.39 -1.83 113.70 112.76 1ajc s SER 147 Ca 0.13 0.04 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1ajc s SER 147 Cb -0.10 0.37 0.45 0.00 -1.71 0.00 0.00 66.02 65.03 1ajc s SER 147 CO 0.05 -0.58 1.41 0.35 1.20 0.00 0.00 173.24 175.67 1ajc n THR 148 N -0.15 0.59 -2.64 6.45 -2.24 -1.06 -4.00 114.28 111.23 1ajc n THR 148 Ca -0.08 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1ajc n THR 148 Cb 0.61 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1ajc n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajc n ALA 149 N 1.50 0.00 -2.41 6.98 0.00 -1.26 -1.45 120.51 123.86 1ajc n ALA 149 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1ajc n ALA 149 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 1ajc n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ajc s GLU 150 N 0.57 4.50 0.00 0.00 2.02 -1.26 -0.49 118.70 124.03 1ajc s GLU 150 Ca 0.00 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.07 1ajc s GLU 150 Cb 0.00 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1ajc s GLU 150 CO 0.00 0.27 0.65 1.28 0.02 0.00 0.00 175.26 177.48 1ajc n LEU 151 N 2.87 0.00 -0.45 1.80 7.99 -0.16 0.58 117.00 129.63 1ajc n LEU 151 Ca -0.02 0.21 0.12 0.00 -0.01 0.00 0.00 56.01 56.31 1ajc n LEU 151 Cb 0.50 -0.21 0.16 0.00 -0.11 0.00 0.00 43.42 43.76 1ajc n LEU 151 CO 0.47 -0.21 0.47 0.00 -1.51 0.00 0.00 177.39 176.62 1ajc n GLN 152 N -1.15 1.20 -0.86 3.23 3.00 -1.26 -3.54 117.38 118.00 1ajc n GLN 152 Ca 0.00 -0.91 -0.31 0.00 -0.01 0.00 0.00 57.00 55.77 1ajc n GLN 152 Cb 0.11 -1.48 0.15 0.00 0.00 0.00 0.00 30.24 29.01 1ajc n GLN 152 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ajc s GLY 153 N -2.42 1.71 0.23 1.08 0.00 0.20 -4.72 107.32 103.39 1ajc s GLY 153 Ca 0.22 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.41 1ajc s GLY 153 CO 0.52 0.93 1.72 0.00 0.00 0.00 0.00 173.10 176.27 1ajc h ALA 154 N -1.64 0.94 0.07 3.20 0.00 -1.93 -2.43 119.26 117.47 1ajc h ALA 154 Ca -0.43 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ajc h ALA 154 Cb 1.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ajc h ALA 154 CO 0.44 -0.25 -0.04 1.15 0.00 0.00 0.00 179.25 180.56 1ajc h THR 155 N 0.37 1.11 -0.05 0.00 2.02 -1.91 -2.52 112.91 111.93 1ajc h THR 155 Ca 0.38 -0.65 -0.25 0.00 0.77 0.00 0.00 66.41 66.66 1ajc h THR 155 Cb 0.58 1.54 0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1ajc h THR 155 CO -0.41 0.16 -0.95 1.55 0.37 0.00 0.00 175.52 176.25 1ajc h PRO 156 N -0.39 0.71 0.00 6.66 0.13 -1.85 -3.27 132.00 133.98 1ajc h PRO 156 Ca -0.01 -0.70 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1ajc h PRO 156 Cb 0.34 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1ajc h PRO 156 CO 0.02 1.28 -0.05 0.00 -0.23 0.00 0.00 178.00 179.02 1ajc h ALA 157 N 0.49 1.67 -0.06 -0.56 0.00 -1.48 -2.26 119.26 117.05 1ajc h ALA 157 Ca -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ajc h ALA 157 Cb 1.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ajc h ALA 157 CO 0.19 0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.56 1ajc h ALA 158 N 1.95 1.82 -0.00 0.00 0.00 -1.50 0.69 119.26 122.23 1ajc h ALA 158 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ajc h ALA 158 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ajc h ALA 158 CO 0.01 -0.09 -0.25 1.28 0.00 0.00 0.00 179.25 180.20 1ajc n LEU 159 N -4.15 0.32 0.00 0.00 4.77 -0.85 -4.25 117.00 112.84 1ajc n LEU 159 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ajc n LEU 159 Cb 0.16 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ajc n LEU 159 CO 0.31 0.07 0.10 1.33 -1.33 0.00 0.00 177.39 177.87 1ajc n VAL 160 N -1.40 0.04 -4.17 4.08 0.24 -0.72 -4.30 118.33 112.10 1ajc n VAL 160 Ca 0.08 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 1ajc n VAL 160 Cb 0.33 1.61 -0.11 0.00 -1.47 0.00 0.00 33.84 34.20 1ajc n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ajc s ALA 161 N -0.04 1.10 -0.34 2.33 0.00 0.16 -4.05 121.76 120.92 1ajc s ALA 161 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1ajc s ALA 161 Cb 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 23.12 23.23 1ajc s ALA 161 CO 0.00 0.02 0.16 -1.01 0.00 0.00 0.00 175.76 174.93 1ajc s HIS 162 N -2.06 1.03 0.09 0.00 0.09 -1.21 -3.96 115.29 109.26 1ajc s HIS 162 Ca 0.03 -1.55 0.03 0.00 -0.00 0.00 0.00 55.06 53.57 1ajc s HIS 162 Cb -0.05 -1.25 -0.04 0.00 -0.00 0.00 0.00 32.58 31.24 1ajc s HIS 162 CO 0.01 -0.83 -0.08 0.14 -0.00 0.00 0.00 174.74 173.97 1ajc s VAL 163 N 1.41 0.77 -0.71 -0.90 -7.23 0.18 -4.96 120.40 108.96 1ajc s VAL 163 Ca 0.13 -1.70 0.26 0.00 -1.81 0.00 0.00 61.98 58.86 1ajc s VAL 163 Cb -0.20 -1.40 0.27 0.00 0.56 0.00 0.00 36.38 35.61 1ajc s VAL 163 CO -0.17 -0.68 1.77 0.35 -0.31 0.00 0.00 175.10 176.06 1ajc n THR 164 N 0.40 0.60 -3.71 5.32 -2.24 -1.26 -1.59 114.28 111.80 1ajc n THR 164 Ca -0.15 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1ajc n THR 164 Cb 0.59 -0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 67.99 1ajc n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ajc s SER 165 N -4.31 -0.26 0.53 3.42 0.15 -1.26 -4.14 113.70 107.83 1ajc s SER 165 Ca 0.10 0.65 0.29 0.00 0.70 0.00 0.00 55.95 57.69 1ajc s SER 165 Cb 0.12 0.58 1.43 0.00 -1.71 0.00 0.00 66.02 66.44 1ajc s SER 165 CO 0.54 -0.19 1.92 0.08 1.20 0.00 0.00 173.24 176.79 1ajc h ARG 166 N 7.35 0.03 0.00 5.44 0.11 -1.34 -1.67 114.38 124.30 1ajc h ARG 166 Ca -0.35 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1ajc h ARG 166 Cb 1.16 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1ajc h ARG 166 CO 0.31 0.02 0.00 1.63 0.10 0.00 0.00 179.97 182.03 1ajc n LYS 167 N -4.32 0.17 -1.74 0.08 5.02 -1.26 -4.16 118.16 111.96 1ajc n LYS 167 Ca 0.16 0.13 -0.39 0.00 -2.02 0.00 0.00 58.31 56.19 1ajc n LYS 167 Cb 0.85 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 1ajc n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajc h TYR 169 N 4.71 -0.57 -4.61 0.00 -1.99 -1.88 -1.19 116.97 111.45 1ajc h TYR 169 Ca 0.76 0.01 -0.44 0.00 2.00 0.00 0.00 58.73 61.06 1ajc h TYR 169 Cb 0.30 0.23 -0.11 0.00 2.00 0.00 0.00 36.73 39.15 1ajc h TYR 169 CO 1.71 -0.31 -0.42 0.41 -0.00 0.00 0.00 178.16 179.54 1ajc n GLY 170 N -1.34 3.05 0.32 3.88 0.00 -1.26 -1.83 105.19 108.01 1ajc n GLY 170 Ca -0.07 -1.90 0.17 0.00 0.00 0.00 0.00 46.02 44.22 1ajc n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ajc h PRO 171 N 0.00 0.18 0.43 1.61 0.11 -1.90 -0.01 132.00 132.41 1ajc h PRO 171 Ca -0.22 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1ajc h PRO 171 Cb 1.09 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1ajc h PRO 171 CO 0.33 0.12 -0.35 1.03 -0.21 0.00 0.00 178.00 178.92 1ajc h SER 172 N 0.19 -0.94 -0.43 -2.05 0.87 -1.96 -1.89 113.55 107.34 1ajc h SER 172 Ca 0.62 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 61.12 1ajc h SER 172 Cb 1.34 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.59 1ajc h SER 172 CO -0.69 -0.51 -0.25 0.00 -0.53 0.00 0.00 176.83 174.85 1ajc h ALA 173 N -0.35 0.71 -0.52 6.23 0.00 -1.62 -3.26 119.26 120.44 1ajc h ALA 173 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ajc h ALA 173 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ajc h ALA 173 CO -0.02 0.67 0.27 1.15 0.00 0.00 0.00 179.25 181.32 1ajc h THR 174 N 0.81 1.19 -0.98 0.00 2.02 -0.94 0.87 112.91 115.87 1ajc h THR 174 Ca 0.10 -0.50 0.15 0.00 0.77 0.00 0.00 66.41 66.93 1ajc h THR 174 Cb 0.82 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.71 1ajc h THR 174 CO 0.07 0.20 0.62 0.28 0.37 0.00 0.00 175.52 177.06 1ajc h SER 175 N 0.69 0.81 0.33 4.18 0.02 -1.39 0.15 113.55 118.34 1ajc h SER 175 Ca 0.18 0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.87 1ajc h SER 175 Cb 0.08 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1ajc h SER 175 CO -0.03 0.37 -1.80 -0.08 -1.14 0.00 0.00 176.83 174.16 1ajc h GLU 176 N 0.83 0.15 0.00 3.45 4.81 -1.60 -3.33 114.58 118.90 1ajc h GLU 176 Ca 0.52 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1ajc h GLU 176 Cb 0.71 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1ajc h GLU 176 CO -0.29 0.89 -1.74 1.63 -0.73 0.00 0.00 179.01 178.77 1ajc n LYS 177 N -3.29 0.68 -2.90 1.92 5.02 0.27 -4.63 118.16 115.23 1ajc n LYS 177 Ca -0.23 -0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 55.75 1ajc n LYS 177 Cb 1.05 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 1ajc n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajc h PRO 179 N 2.93 0.12 0.00 0.00 0.13 -1.60 0.69 132.00 134.28 1ajc h PRO 179 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ajc h PRO 179 Cb 0.90 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1ajc h PRO 179 CO 0.63 0.08 0.00 0.78 -0.23 0.00 0.00 178.00 179.26 1ajc h GLY 180 N 0.13 0.00 0.13 1.56 0.00 -1.91 -2.60 103.07 100.38 1ajc h GLY 180 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1ajc h GLY 180 CO -0.05 0.00 -1.94 0.70 0.00 0.00 0.00 176.54 175.25 1ajc n ASN 181 N -2.93 0.12 -4.64 0.19 4.13 0.22 -4.15 115.26 108.20 1ajc n ASN 181 Ca 0.01 0.05 -0.57 0.00 1.68 0.00 0.00 54.58 55.75 1ajc n ASN 181 Cb 0.31 1.63 -0.07 0.00 -1.54 0.00 0.00 39.78 40.11 1ajc n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ajc n ALA 182 N -2.33 -1.23 -0.32 5.41 0.00 -0.09 -0.27 120.51 121.68 1ajc n ALA 182 Ca -0.08 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1ajc n ALA 182 Cb 0.67 -2.05 0.27 0.00 0.00 0.00 0.00 19.45 18.34 1ajc n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ajc h LEU 183 N 5.22 0.85 0.00 0.00 5.85 -1.89 0.95 115.31 126.29 1ajc h LEU 183 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1ajc h LEU 183 Cb 1.35 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ajc h LEU 183 CO 0.84 0.49 0.00 -1.84 -0.34 0.00 0.00 178.44 177.59 1ajc n GLU 184 N -4.55 0.80 -0.08 1.25 0.00 -1.26 -2.38 120.64 114.41 1ajc n GLU 184 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.41 1ajc n GLU 184 Cb 0.32 -1.39 0.13 0.00 0.00 0.00 0.00 31.44 30.50 1ajc n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ajc n LYS 185 N -0.89 1.57 -0.91 3.44 4.01 0.25 -4.97 118.16 120.66 1ajc n LYS 185 Ca 0.15 -2.46 0.00 0.00 -0.51 0.00 0.00 58.31 55.49 1ajc n LYS 185 Cb 0.07 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1ajc n LYS 185 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ajc n GLY 186 N -1.27 0.60 3.97 0.72 0.00 -1.00 -4.91 105.19 103.30 1ajc n GLY 186 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ajc n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ajc s GLY 187 N -1.99 1.77 0.46 -0.02 0.00 -0.71 -4.99 107.32 101.83 1ajc s GLY 187 Ca 0.00 -1.55 0.26 0.00 0.00 0.00 0.00 44.72 43.43 1ajc s GLY 187 CO 0.00 -0.89 1.79 0.50 0.00 0.00 0.00 173.10 174.50 1ajc h LYS 188 N -0.97 0.00 0.00 2.90 1.57 -1.80 -3.39 116.57 114.88 1ajc h LYS 188 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1ajc h LYS 188 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ajc h LYS 188 CO 0.39 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 1ajc n GLY 189 N 0.42 -0.96 3.63 3.86 0.00 0.62 -4.52 105.19 108.23 1ajc n GLY 189 Ca 0.01 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1ajc n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajc s SER 190 N -0.22 1.67 0.15 1.61 1.04 -1.26 -4.71 113.70 111.99 1ajc s SER 190 Ca 0.00 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1ajc s SER 190 Cb 0.00 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.83 1ajc s SER 190 CO 0.00 -3.69 1.81 0.40 0.98 0.00 0.00 173.24 172.75 1ajc h ILE 191 N -2.28 1.11 -0.66 -1.02 2.04 -1.25 0.69 117.51 116.14 1ajc h ILE 191 Ca -0.50 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1ajc h ILE 191 Cb 1.31 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1ajc h ILE 191 CO 0.45 0.11 0.20 0.74 0.00 0.00 0.00 178.15 179.65 1ajc h THR 192 N 0.56 1.24 -0.32 -0.27 2.02 -1.60 0.20 112.91 114.74 1ajc h THR 192 Ca 0.15 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 1ajc h THR 192 Cb -0.06 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1ajc h THR 192 CO -0.03 0.33 -0.23 -0.33 0.37 0.00 0.00 175.52 175.63 1ajc h GLU 193 N 0.97 0.72 -0.69 6.66 5.08 -1.73 -1.56 114.58 124.04 1ajc h GLU 193 Ca 0.22 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1ajc h GLU 193 Cb 0.28 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1ajc h GLU 193 CO -0.01 0.96 0.15 1.96 -1.00 0.00 0.00 179.01 181.07 1ajc h GLN 194 N 0.49 1.11 -0.56 2.33 4.20 -0.52 -2.04 115.11 120.13 1ajc h GLN 194 Ca 0.06 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.52 1ajc h GLN 194 Cb 0.78 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1ajc h GLN 194 CO 0.06 0.99 0.35 1.25 -0.67 0.00 0.00 178.83 180.81 1ajc h LEU 195 N 1.05 0.60 -1.55 1.46 6.46 -0.47 0.15 115.31 123.00 1ajc h LEU 195 Ca 0.22 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1ajc h LEU 195 Cb 0.39 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1ajc h LEU 195 CO 0.01 0.43 0.05 -0.07 -0.62 0.00 0.00 178.44 178.23 1ajc h LEU 196 N 0.71 0.31 0.07 2.25 4.07 -0.83 -2.85 115.31 119.05 1ajc h LEU 196 Ca 0.21 -0.03 -0.26 0.00 0.08 0.00 0.00 57.88 57.88 1ajc h LEU 196 Cb -0.04 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1ajc h LEU 196 CO -0.07 0.32 -1.28 0.78 -1.08 0.00 0.00 178.44 177.11 1ajc h ASN 197 N 0.34 0.24 -0.72 -0.43 2.35 -0.50 -3.30 115.58 113.56 1ajc h ASN 197 Ca 0.08 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1ajc h ASN 197 Cb 0.15 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1ajc h ASN 197 CO -0.00 1.24 0.47 0.00 -1.65 0.00 0.00 177.43 177.49 1ajc h ALA 198 N 0.73 1.66 -6.03 -0.83 0.00 -0.53 -3.48 119.26 110.78 1ajc h ALA 198 Ca -0.14 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1ajc h ALA 198 Cb 1.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1ajc h ALA 198 CO 0.16 0.24 -0.61 -2.13 0.00 0.00 0.00 179.25 176.90 1ajc n ARG 199 N -4.47 -1.59 -2.98 0.00 0.63 -1.16 -4.99 116.66 102.11 1ajc n ARG 199 Ca 0.10 1.27 -0.33 0.00 -0.92 0.00 0.00 57.85 57.97 1ajc n ARG 199 Cb 0.19 -4.00 -0.07 0.00 0.45 0.00 0.00 32.46 29.03 1ajc n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ajc s ALA 200 N -2.79 3.20 0.44 5.13 0.00 -1.26 -4.95 121.76 121.52 1ajc s ALA 200 Ca 0.07 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1ajc s ALA 200 Cb -0.01 -2.96 0.96 0.00 0.00 0.00 0.00 23.12 21.10 1ajc s ALA 200 CO 0.82 0.24 2.08 -0.44 0.00 0.00 0.00 175.76 178.46 1ajc h ASP 201 N 2.25 0.35 -3.56 0.00 3.32 -1.68 -3.41 116.42 113.70 1ajc h ASP 201 Ca -0.48 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.24 1ajc h ASP 201 Cb 1.18 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.31 1ajc h ASP 201 CO 0.63 0.26 -0.74 -0.69 -1.72 0.00 0.00 179.24 176.99 1ajc s VAL 202 N -5.38 0.10 -0.18 -1.35 1.01 -1.05 -0.34 120.40 113.21 1ajc s VAL 202 Ca -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1ajc s VAL 202 Cb 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 36.38 36.44 1ajc s VAL 202 CO 0.72 0.11 0.21 -0.89 0.00 0.00 0.00 175.10 175.25 1ajc s THR 203 N 0.85 -0.31 -0.07 3.92 2.01 -0.98 -0.81 115.64 120.24 1ajc s THR 203 Ca -0.08 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1ajc s THR 203 Cb -0.11 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1ajc s THR 203 CO -0.02 -0.13 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.85 1ajc s LEU 204 N 2.32 1.84 0.00 4.42 1.43 -0.30 -0.40 118.68 127.99 1ajc s LEU 204 Ca 0.06 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1ajc s LEU 204 Cb -0.15 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1ajc s LEU 204 CO -0.11 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ajc n GLY 205 N 3.58 -1.31 0.00 -3.19 0.00 -0.11 -1.26 105.19 102.91 1ajc n GLY 205 Ca -0.21 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1ajc n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajc n GLY 206 N -0.00 3.49 1.16 -0.02 0.00 0.35 -1.06 105.19 109.11 1ajc n GLY 206 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1ajc n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajc n GLY 207 N 5.00 0.95 0.22 -0.02 0.00 0.13 -0.99 105.19 110.48 1ajc n GLY 207 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1ajc n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajc h ALA 208 N 0.00 1.00 -0.18 4.61 0.00 -0.54 -3.30 119.26 120.86 1ajc h ALA 208 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ajc h ALA 208 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1ajc h ALA 208 CO 0.00 0.00 -0.30 -0.22 0.00 0.00 0.00 179.25 178.73 1ajc h LYS 209 N 0.00 -0.33 -0.17 0.00 3.64 -1.47 -1.79 116.57 116.44 1ajc h LYS 209 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ajc h LYS 209 Cb 0.54 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1ajc h LYS 209 CO 0.00 -0.22 0.11 1.15 -2.27 0.00 0.00 179.45 178.22 1ajc h THR 210 N -0.35 1.04 0.00 1.00 2.02 -1.83 -1.86 112.91 112.94 1ajc h THR 210 Ca 0.11 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ajc h THR 210 Cb 0.52 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1ajc h THR 210 CO -0.37 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.05 1ajc n PHE 211 N -4.51 0.00 1.09 3.16 3.01 -0.67 -1.10 117.46 118.44 1ajc n PHE 211 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1ajc n PHE 211 Cb 0.08 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.75 1ajc n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ajc n ALA 212 N -0.94 3.56 -1.81 4.37 0.00 -0.70 -1.08 120.51 123.92 1ajc n ALA 212 Ca 0.05 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1ajc n ALA 212 Cb 0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ajc n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ajc s GLU 213 N -2.74 3.76 -0.03 0.00 2.02 -0.25 -4.73 118.70 116.74 1ajc s GLU 213 Ca 0.17 0.97 0.00 0.00 0.02 0.00 0.00 54.97 56.13 1ajc s GLU 213 Cb 0.18 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 1ajc s GLU 213 CO 0.64 -0.43 0.01 0.95 0.02 0.00 0.00 175.26 176.45 1ajc s THR 214 N -2.67 4.27 0.24 3.63 -4.23 -1.26 0.11 115.64 115.73 1ajc s THR 214 Ca 0.59 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 60.35 1ajc s THR 214 Cb -0.11 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 1ajc s THR 214 CO 0.36 0.46 1.33 0.00 -0.54 0.00 0.00 174.62 176.23 1ajc s ALA 215 N -1.02 3.54 -1.39 3.99 0.00 -1.03 -4.83 121.76 121.03 1ajc s ALA 215 Ca 0.18 1.19 0.29 0.00 0.00 0.00 0.00 51.96 53.61 1ajc s ALA 215 Cb -0.11 -3.49 1.21 0.00 0.00 0.00 0.00 23.12 20.72 1ajc s ALA 215 CO 0.08 -0.60 1.86 0.25 0.00 0.00 0.00 175.76 177.35 1ajc n THR 216 N 2.09 0.00 -2.69 0.00 -2.24 -1.26 -1.57 114.28 108.61 1ajc n THR 216 Ca 0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1ajc n THR 216 Cb 0.42 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1ajc n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajc n ALA 217 N -1.21 0.00 -0.27 6.98 0.00 -1.26 -4.84 120.51 119.91 1ajc n ALA 217 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 1ajc n ALA 217 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 1ajc n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajc n GLY 218 N 0.00 -1.94 0.22 0.00 0.00 -1.26 -3.17 105.19 99.03 1ajc n GLY 218 Ca 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.73 1ajc n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ajc h GLU 219 N 0.00 0.00 -0.55 1.61 4.81 -2.02 -3.07 114.58 115.36 1ajc h GLU 219 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1ajc h GLU 219 Cb 0.10 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.29 1ajc h GLU 219 CO 0.00 0.26 0.06 0.91 -0.73 0.00 0.00 179.01 179.51 1ajc n TRP 220 N -3.87 1.73 -1.73 0.92 8.01 -1.26 -5.03 117.44 116.21 1ajc n TRP 220 Ca -0.02 -1.82 -0.39 0.00 -1.31 0.00 0.00 57.50 53.97 1ajc n TRP 220 Cb 0.34 -0.64 0.03 0.00 -2.01 0.00 0.00 31.31 29.04 1ajc n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1ajc n GLN 221 N -1.09 1.81 0.00 -0.99 7.27 -1.16 -2.01 117.38 121.21 1ajc n GLN 221 Ca 0.41 0.66 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1ajc n GLN 221 Cb 1.12 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1ajc n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ajc n GLY 222 N 0.76 2.13 3.87 1.69 0.00 -0.61 -4.90 105.19 108.13 1ajc n GLY 222 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ajc n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajc s LYS 223 N 0.00 3.68 0.72 1.61 -0.14 -0.85 -4.88 119.74 119.88 1ajc s LYS 223 Ca 0.00 0.08 -0.13 0.00 -1.36 0.00 0.00 55.97 54.56 1ajc s LYS 223 Cb 0.00 -3.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.11 1ajc s LYS 223 CO 0.00 0.63 1.11 0.95 -0.76 0.00 0.00 175.35 177.28 1ajc s THR 224 N -1.29 3.14 0.47 2.17 -4.23 -1.26 -2.45 115.64 112.18 1ajc s THR 224 Ca 0.28 0.47 0.26 0.00 -1.18 0.00 0.00 61.69 61.52 1ajc s THR 224 Cb -0.14 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.04 1ajc s THR 224 CO 0.16 -0.39 2.12 -0.07 -0.54 0.00 0.00 174.62 175.89 1ajc h LEU 225 N -0.48 0.00 -0.47 4.79 3.38 -0.33 0.01 115.31 122.22 1ajc h LEU 225 Ca -0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 1ajc h LEU 225 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1ajc h LEU 225 CO 0.52 0.09 -0.18 -0.09 0.09 0.00 0.00 178.44 178.87 1ajc h ARG 226 N 0.00 0.95 -0.28 1.13 2.43 -1.36 -1.43 114.38 115.81 1ajc h ARG 226 Ca -0.00 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 1ajc h ARG 226 Cb 0.23 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ajc h ARG 226 CO 0.01 1.06 -0.29 0.93 -1.51 0.00 0.00 179.97 180.17 1ajc h GLU 227 N 0.80 0.58 0.72 0.20 5.08 -1.48 -2.81 114.58 117.66 1ajc h GLU 227 Ca 0.11 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1ajc h GLU 227 Cb 0.75 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ajc h GLU 227 CO 0.06 0.81 -0.45 0.37 -1.00 0.00 0.00 179.01 178.80 1ajc h GLN 228 N 0.50 -1.06 -0.88 2.33 4.15 -0.73 -0.47 115.11 118.95 1ajc h GLN 228 Ca 0.06 0.07 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1ajc h GLN 228 Cb 0.76 0.24 -0.16 0.00 0.21 0.00 0.00 27.48 28.53 1ajc h GLN 228 CO 0.06 -0.71 -0.27 0.00 -1.93 0.00 0.00 178.83 175.98 1ajc h ALA 229 N -0.94 0.43 -0.63 3.38 0.00 -1.13 0.31 119.26 120.68 1ajc h ALA 229 Ca -0.09 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ajc h ALA 229 Cb 0.89 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1ajc h ALA 229 CO 0.09 -0.47 0.39 0.93 0.00 0.00 0.00 179.25 180.19 1ajc h GLU 230 N -0.02 0.85 -0.26 0.00 5.08 -1.24 -0.94 114.58 118.06 1ajc h GLU 230 Ca 0.39 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1ajc h GLU 230 Cb 0.63 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1ajc h GLU 230 CO -0.91 0.60 -0.07 0.00 -1.00 0.00 0.00 179.01 177.63 1ajc h ALA 231 N 1.21 1.39 -0.06 3.43 0.00 0.12 -1.60 119.26 123.75 1ajc h ALA 231 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ajc h ALA 231 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ajc h ALA 231 CO -0.04 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.16 1ajc n ARG 232 N -4.26 1.14 -1.98 0.00 5.12 0.64 -4.88 116.66 112.44 1ajc n ARG 232 Ca 0.00 -0.21 -0.05 0.00 -1.93 0.00 0.00 57.85 55.66 1ajc n ARG 232 Cb 0.27 -1.07 -0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1ajc n ARG 232 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ajc n GLY 233 N 0.57 0.24 3.84 -0.13 0.00 -0.60 -4.97 105.19 104.14 1ajc n GLY 233 Ca 0.02 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1ajc n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ajc s TYR 234 N -2.24 3.35 -0.43 1.61 2.02 -0.46 -4.06 117.35 117.14 1ajc s TYR 234 Ca 0.00 1.37 -0.18 0.00 -0.37 0.00 0.00 57.07 57.89 1ajc s TYR 234 Cb 0.00 -2.65 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1ajc s TYR 234 CO 0.00 0.02 0.48 -0.65 -1.57 0.00 0.00 175.55 173.82 1ajc s GLN 235 N -3.06 3.12 -0.27 -0.62 -0.21 0.10 -4.63 119.66 114.09 1ajc s GLN 235 Ca 0.57 -0.73 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 1ajc s GLN 235 Cb -0.10 -3.98 -0.04 0.00 1.00 0.00 0.00 33.01 29.89 1ajc s GLN 235 CO 0.16 -0.91 0.15 -0.51 -2.12 0.00 0.00 175.29 172.06 1ajc s LEU 236 N 2.26 3.87 0.01 2.90 1.02 -1.26 -0.21 118.68 127.27 1ajc s LEU 236 Ca 0.14 -0.05 0.08 0.00 0.02 0.00 0.00 54.13 54.32 1ajc s LEU 236 Cb -0.17 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1ajc s LEU 236 CO 0.14 -0.03 -0.25 0.68 0.02 0.00 0.00 176.35 176.91 1ajc s VAL 237 N 1.64 2.19 0.00 -1.59 -7.23 -0.91 -5.01 120.40 109.49 1ajc s VAL 237 Ca 0.07 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1ajc s VAL 237 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1ajc s VAL 237 CO 0.08 0.46 0.92 -1.54 -0.31 0.00 0.00 175.10 174.71 1ajc n SER 238 N 2.05 1.73 -3.66 4.85 3.41 -1.26 -2.35 113.62 118.37 1ajc n SER 238 Ca -0.16 -1.85 -0.09 0.00 -0.26 0.00 0.00 58.87 56.51 1ajc n SER 238 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1ajc n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1ajc s ASP 239 N -0.85 -0.39 0.29 4.04 1.47 -1.26 -4.56 116.67 115.40 1ajc s ASP 239 Ca 0.00 -0.34 0.03 0.00 1.18 0.00 0.00 52.55 53.42 1ajc s ASP 239 Cb 0.00 0.67 0.65 0.00 -0.34 0.00 0.00 42.92 43.90 1ajc s ASP 239 CO 0.00 -1.17 1.76 0.00 0.68 0.00 0.00 175.17 176.44 1ajc h ALA 240 N 2.00 1.49 0.83 2.11 0.00 -0.52 -0.74 119.26 124.42 1ajc h ALA 240 Ca -0.26 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ajc h ALA 240 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ajc h ALA 240 CO 0.30 -0.10 -0.46 0.00 0.00 0.00 0.00 179.25 178.99 1ajc h ALA 241 N 1.62 -1.22 -0.78 0.00 0.00 -1.91 -2.07 119.26 114.89 1ajc h ALA 241 Ca 0.53 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ajc h ALA 241 Cb 0.82 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1ajc h ALA 241 CO -0.39 -1.20 0.36 0.66 0.00 0.00 0.00 179.25 178.68 1ajc h SER 242 N -1.19 1.03 -0.90 0.00 4.64 -1.91 -1.96 113.55 113.26 1ajc h SER 242 Ca -0.11 -0.13 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1ajc h SER 242 Cb 0.94 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.69 1ajc h SER 242 CO 0.14 0.88 0.53 0.25 -0.87 0.00 0.00 176.83 177.76 1ajc h LEU 243 N 1.12 0.75 -0.13 5.97 5.85 -1.07 -0.59 115.31 127.20 1ajc h LEU 243 Ca 0.27 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1ajc h LEU 243 Cb 0.14 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ajc h LEU 243 CO -0.03 0.40 0.00 0.59 -0.34 0.00 0.00 178.44 179.06 1ajc n ASN 244 N -4.72 0.71 0.13 1.25 4.13 -0.78 -3.07 115.26 112.90 1ajc n ASN 244 Ca 0.16 0.59 0.12 0.00 1.68 0.00 0.00 54.58 57.13 1ajc n ASN 244 Cb 0.34 -0.77 0.27 0.00 -1.54 0.00 0.00 39.78 38.07 1ajc n ASN 244 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ajc h SER 245 N 0.00 0.00 -2.44 6.41 0.02 -0.62 -3.45 113.55 113.47 1ajc h SER 245 Ca 0.00 -0.04 -0.54 0.00 -0.84 0.00 0.00 61.79 60.37 1ajc h SER 245 Cb 0.64 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1ajc h SER 245 CO 0.00 0.02 1.19 -0.69 -1.14 0.00 0.00 176.83 176.21 1ajc s VAL 246 N -3.16 3.20 -0.07 2.27 1.01 -1.13 -4.88 120.40 117.63 1ajc s VAL 246 Ca 0.08 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1ajc s VAL 246 Cb 0.10 -3.16 -0.25 0.00 0.00 0.00 0.00 36.38 33.08 1ajc s VAL 246 CO 0.65 -0.02 0.57 0.74 0.00 0.00 0.00 175.10 177.04 1ajc h THR 247 N 5.64 0.80 -3.33 3.92 2.02 -1.91 -3.49 112.91 116.56 1ajc h THR 247 Ca -0.46 -2.57 -0.12 0.00 0.77 0.00 0.00 66.41 64.04 1ajc h THR 247 Cb 1.22 2.51 -0.19 0.00 -1.74 0.00 0.00 68.15 69.95 1ajc h THR 247 CO 0.95 0.72 -0.35 -1.61 0.37 0.00 0.00 175.52 175.60 1ajc s GLU 248 N -2.58 0.67 -0.06 6.66 0.41 -1.26 -4.93 118.70 117.61 1ajc s GLU 248 Ca -0.13 -0.43 -0.02 0.00 -0.41 0.00 0.00 54.97 53.98 1ajc s GLU 248 Cb 0.07 0.29 0.04 0.00 -1.78 0.00 0.00 34.13 32.75 1ajc s GLU 248 CO 0.81 -0.19 0.11 0.00 -0.49 0.00 0.00 175.26 175.50 1ajc s ALA 249 N -1.96 -0.07 0.00 5.21 0.00 -1.26 -4.94 121.76 118.75 1ajc s ALA 249 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1ajc s ALA 249 Cb -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1ajc s ALA 249 CO -0.00 -0.35 0.00 0.27 0.00 0.00 0.00 175.76 175.68 1ajc n ASN 250 N 4.80 0.00 0.19 0.00 0.23 -0.70 -4.84 115.26 114.93 1ajc n ASN 250 Ca -0.15 -0.25 0.07 0.00 -0.53 0.00 0.00 54.58 53.72 1ajc n ASN 250 Cb 0.50 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.46 1ajc n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ajc h GLN 251 N 0.00 0.00 0.14 -3.83 1.08 -1.94 0.21 115.11 110.78 1ajc h GLN 251 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 1ajc h GLN 251 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1ajc h GLN 251 CO 0.00 0.32 -1.32 1.96 -0.95 0.00 0.00 178.83 178.84 1ajc h GLN 252 N 0.00 0.30 -2.46 1.46 7.50 -1.96 -3.39 115.11 116.55 1ajc h GLN 252 Ca -0.00 -0.51 -0.59 0.00 0.50 0.00 0.00 58.65 58.04 1ajc h GLN 252 Cb 1.03 0.19 -0.39 0.00 0.05 0.00 0.00 27.48 28.36 1ajc h GLN 252 CO 0.04 1.23 -0.90 1.63 -1.50 0.00 0.00 178.83 179.33 1ajc n LYS 253 N -3.54 0.59 -2.60 1.46 5.02 -1.20 -4.87 118.16 113.02 1ajc n LYS 253 Ca -0.11 -3.46 -0.33 0.00 -2.02 0.00 0.00 58.31 52.39 1ajc n LYS 253 Cb 1.04 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 1ajc n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ajc s PRO 254 N -0.39 3.93 -0.06 1.97 0.04 0.06 -1.73 135.00 138.82 1ajc s PRO 254 Ca 0.32 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 1ajc s PRO 254 Cb 0.04 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1ajc s PRO 254 CO -0.18 -0.30 0.24 -1.17 0.04 0.00 0.00 177.00 175.62 1ajc s LEU 255 N -3.49 4.41 -0.16 -3.56 2.96 0.54 0.01 118.68 119.39 1ajc s LEU 255 Ca 0.64 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1ajc s LEU 255 Cb -0.13 -2.34 0.05 0.00 0.50 0.00 0.00 46.19 44.27 1ajc s LEU 255 CO 0.19 0.35 0.04 -0.22 -1.32 0.00 0.00 176.35 175.40 1ajc s LEU 256 N -1.22 0.82 -0.30 -0.68 2.96 0.70 -2.33 118.68 118.64 1ajc s LEU 256 Ca 0.20 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1ajc s LEU 256 Cb -0.13 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 1ajc s LEU 256 CO 0.09 -0.29 0.11 -0.83 -1.32 0.00 0.00 176.35 174.11 1ajc s GLY 257 N 1.96 1.82 -0.71 7.98 0.00 0.46 -2.13 107.32 116.70 1ajc s GLY 257 Ca 0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1ajc s GLY 257 CO -0.07 0.66 0.54 1.08 0.00 0.00 0.00 173.10 175.30 1ajc s LEU 258 N 1.56 5.20 -0.04 0.66 1.43 -0.99 -0.93 118.68 125.55 1ajc s LEU 258 Ca 0.04 -3.27 0.05 0.00 -1.03 0.00 0.00 54.13 49.92 1ajc s LEU 258 Cb -0.17 -1.82 0.21 0.00 0.03 0.00 0.00 46.19 44.44 1ajc s LEU 258 CO 0.04 -0.26 0.95 0.49 0.23 0.00 0.00 176.35 177.79 1ajc n PHE 259 N 2.90 0.48 0.00 0.29 3.72 -0.23 -4.62 117.46 120.00 1ajc n PHE 259 Ca 0.13 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1ajc n PHE 259 Cb 0.37 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1ajc n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajc n ALA 260 N 0.15 0.00 -0.21 4.37 0.00 -1.26 -4.90 120.51 118.66 1ajc n ALA 260 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1ajc n ALA 260 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1ajc n ALA 260 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ajc h ASP 261 N 0.00 0.98 0.00 0.00 5.19 -1.93 -0.09 116.42 120.56 1ajc h ASP 261 Ca 0.00 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1ajc h ASP 261 Cb 0.00 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.25 1ajc h ASP 261 CO 0.00 1.02 0.00 0.61 -3.12 0.00 0.00 179.24 177.75 1ajc n GLY 262 N -0.48 1.80 3.78 2.75 0.00 -1.26 -1.43 105.19 110.35 1ajc n GLY 262 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1ajc n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ajc s ASN 263 N 0.82 7.30 0.58 1.61 0.01 -1.26 0.18 114.94 124.18 1ajc s ASN 263 Ca 0.00 1.79 -0.19 0.00 -0.71 0.00 0.00 52.86 53.75 1ajc s ASN 263 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1ajc s ASN 263 CO 0.00 -0.07 1.22 -0.04 -1.51 0.00 0.00 177.10 176.71 1ajc s MET 264 N -2.08 3.02 0.34 -0.60 -1.94 -0.53 -4.92 119.30 112.59 1ajc s MET 264 Ca 0.50 1.88 -0.27 0.00 -1.71 0.00 0.00 55.69 56.08 1ajc s MET 264 Cb -0.18 -1.99 -0.13 0.00 2.01 0.00 0.00 34.83 34.54 1ajc s MET 264 CO 0.23 -1.18 1.11 -0.35 -0.01 0.00 0.00 175.02 174.82 1ajc n PRO 265 N -1.47 1.62 -1.59 2.03 -0.04 -1.26 -4.93 135.00 129.35 1ajc n PRO 265 Ca 0.13 0.57 -0.32 0.00 -0.04 0.00 0.00 63.50 63.84 1ajc n PRO 265 Cb 0.49 -2.06 0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1ajc n PRO 265 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ajc s VAL 266 N -1.12 3.36 -0.03 0.52 1.01 -1.26 -4.89 120.40 117.99 1ajc s VAL 266 Ca 0.58 0.55 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 1ajc s VAL 266 Cb -0.62 -3.07 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 1ajc s VAL 266 CO 0.60 -0.47 1.04 -0.09 0.00 0.00 0.00 175.10 176.18 1ajc h ARG 267 N -0.39 0.28 -6.72 2.72 2.43 -1.89 -3.41 114.38 107.39 1ajc h ARG 267 Ca -0.45 -0.31 -0.66 0.00 -0.81 0.00 0.00 59.98 57.74 1ajc h ARG 267 Cb 1.24 0.09 -0.21 0.00 -0.42 0.00 0.00 29.97 30.67 1ajc h ARG 267 CO 0.53 1.03 -0.85 -1.58 -1.51 0.00 0.00 179.97 177.59 1ajc s TRP 268 N -3.07 2.22 0.04 2.20 0.51 -1.26 -1.00 118.94 118.58 1ajc s TRP 268 Ca -0.15 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 1ajc s TRP 268 Cb 0.02 -1.18 -0.04 0.00 -0.81 0.00 0.00 33.47 31.46 1ajc s TRP 268 CO 0.78 0.36 0.03 -0.51 -0.51 0.00 0.00 176.95 177.09 1ajc s LEU 269 N -2.19 3.61 -0.13 2.99 1.02 0.12 -4.04 118.68 120.06 1ajc s LEU 269 Ca 0.14 -0.03 -0.34 0.00 0.02 0.00 0.00 54.13 53.93 1ajc s LEU 269 Cb -0.09 -2.19 0.13 0.00 0.02 0.00 0.00 46.19 44.06 1ajc s LEU 269 CO 0.07 0.23 1.22 -0.83 0.02 0.00 0.00 176.35 177.06 1ajc s GLY 270 N -1.93 -0.33 0.65 -3.19 0.00 -1.26 -2.59 107.32 98.67 1ajc s GLY 270 Ca 0.23 1.32 -0.14 0.00 0.00 0.00 0.00 44.72 46.13 1ajc s GLY 270 CO 0.15 0.41 1.08 -4.14 0.00 0.00 0.00 173.10 170.60 1ajc s PRO 271 N -2.44 2.96 0.54 2.90 0.02 -1.26 -4.90 135.00 132.82 1ajc s PRO 271 Ca 0.11 1.21 -0.18 0.00 0.02 0.00 0.00 61.00 62.16 1ajc s PRO 271 Cb 0.01 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1ajc s PRO 271 CO -0.04 -1.10 1.05 0.15 -0.33 0.00 0.00 177.00 176.73 1ajc s LYS 272 N -4.35 3.55 0.68 5.54 1.02 -1.26 -4.51 119.74 120.41 1ajc s LYS 272 Ca 0.63 1.32 -0.16 0.00 0.02 0.00 0.00 55.97 57.78 1ajc s LYS 272 Cb -0.17 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1ajc s LYS 272 CO 0.44 -0.63 1.18 0.00 -0.92 0.00 0.00 175.35 175.42 1ajc s ALA 273 N -2.16 2.32 0.02 5.17 0.00 0.19 -4.98 121.76 122.31 1ajc s ALA 273 Ca 0.66 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1ajc s ALA 273 Cb -0.17 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1ajc s ALA 273 CO 0.28 -1.53 -0.04 0.99 0.00 0.00 0.00 175.76 175.46 1ajc s THR 274 N -1.97 0.18 0.10 0.00 2.01 -0.91 -4.78 115.64 110.28 1ajc s THR 274 Ca 0.73 -0.97 -0.33 0.00 0.31 0.00 0.00 61.69 61.44 1ajc s THR 274 Cb -0.27 -0.36 -0.12 0.00 0.01 0.00 0.00 72.50 71.76 1ajc s THR 274 CO 0.41 -0.50 1.77 0.00 -0.69 0.00 0.00 174.62 175.61 1ajc n TYR 275 N 1.52 2.49 -2.28 4.92 9.36 -1.26 -0.55 117.16 131.36 1ajc n TYR 275 Ca -0.23 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 60.80 1ajc n TYR 275 Cb 0.55 -2.67 -0.02 0.00 -0.63 0.00 0.00 39.34 36.58 1ajc n TYR 275 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ajc n HIS 276 N 5.10 -0.95 -0.28 2.98 8.25 -1.26 -4.88 115.22 124.18 1ajc n HIS 276 Ca 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.59 1ajc n HIS 276 Cb 0.33 -3.63 0.06 0.00 1.12 0.00 0.00 29.99 27.88 1ajc n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ajc h GLY 277 N 0.00 1.14 1.79 -1.41 0.00 -0.91 -0.30 103.07 103.39 1ajc h GLY 277 Ca -0.44 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1ajc h GLY 277 CO 0.54 0.50 0.09 3.45 0.00 0.00 0.00 176.54 181.12 1ajc h ASN 278 N 1.06 0.00 0.00 0.19 -1.07 -1.81 -2.17 115.58 111.78 1ajc h ASN 278 Ca 0.27 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.50 1ajc h ASN 278 Cb 0.04 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.27 1ajc h ASN 278 CO -0.04 0.00 -1.51 2.30 0.07 0.00 0.00 177.43 178.25 1ajc n ILE 279 N -2.63 0.51 1.70 6.14 -5.35 -0.87 -4.61 119.36 114.25 1ajc n ILE 279 Ca -0.02 -0.19 0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1ajc n ILE 279 Cb 0.14 -0.91 0.62 0.00 -1.74 0.00 0.00 39.64 37.75 1ajc n ILE 279 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ajc n ASP 280 N -2.83 0.00 -3.82 7.28 8.00 -0.18 -4.83 116.55 120.17 1ajc n ASP 280 Ca -0.16 -1.05 -0.12 0.00 0.71 0.00 0.00 54.79 54.18 1ajc n ASP 280 Cb 0.66 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.67 1ajc n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ajc s LYS 281 N -2.00 0.63 0.88 -1.24 3.01 -0.82 -5.02 119.74 115.18 1ajc s LYS 281 Ca 0.31 -0.42 -0.12 0.00 -1.01 0.00 0.00 55.97 54.74 1ajc s LYS 281 Cb 0.14 0.27 0.12 0.00 -1.01 0.00 0.00 37.83 37.35 1ajc s LYS 281 CO 0.24 -0.17 1.09 -1.25 0.51 0.00 0.00 175.35 175.77 1ajc s PRO 282 N -1.83 1.41 0.39 -1.68 0.04 -1.26 -4.73 135.00 127.33 1ajc s PRO 282 Ca -0.11 0.74 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 1ajc s PRO 282 Cb -0.04 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1ajc s PRO 282 CO 0.00 -2.12 1.30 0.00 0.04 0.00 0.00 177.00 176.22 1ajc s ALA 283 N -3.00 3.31 0.11 8.56 0.00 -1.26 -4.73 121.76 124.75 1ajc s ALA 283 Ca 0.63 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.72 1ajc s ALA 283 Cb -0.17 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1ajc s ALA 283 CO 0.56 -0.77 0.42 0.08 0.00 0.00 0.00 175.76 176.06 1ajc s VAL 284 N -1.24 5.07 -0.23 0.00 1.01 0.17 -4.81 120.40 120.36 1ajc s VAL 284 Ca 0.55 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1ajc s VAL 284 Cb -0.38 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.41 1ajc s VAL 284 CO 0.49 0.22 -0.03 -0.89 0.00 0.00 0.00 175.10 174.89 1ajc s THR 285 N -1.48 1.37 0.72 3.92 2.01 -1.26 -0.69 115.64 120.24 1ajc s THR 285 Ca 0.36 -1.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1ajc s THR 285 Cb -0.14 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.69 1ajc s THR 285 CO 0.19 -0.14 0.91 0.00 -0.69 0.00 0.00 174.62 174.89 1ajc s THR 287 N -1.84 0.36 0.35 0.00 -1.32 -1.07 -4.98 115.64 107.13 1ajc s THR 287 Ca 0.72 -0.46 -0.28 0.00 -1.21 0.00 0.00 61.69 60.46 1ajc s THR 287 Cb -0.34 -0.36 -0.12 0.00 -1.51 0.00 0.00 72.50 70.17 1ajc s THR 287 CO 0.51 -0.08 1.29 -2.65 -2.21 0.00 0.00 174.62 171.48 1ajc n PRO 288 N 2.48 2.12 -2.72 7.08 -0.02 -1.26 0.11 135.00 142.78 1ajc n PRO 288 Ca -0.16 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1ajc n PRO 288 Cb 0.57 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1ajc n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ajc s ASN 289 N -0.32 7.09 0.56 2.55 2.47 -0.17 -4.58 114.94 122.54 1ajc s ASN 289 Ca 0.56 1.35 0.37 0.00 0.42 0.00 0.00 52.86 55.56 1ajc s ASN 289 Cb -0.56 -2.52 1.90 0.00 -1.45 0.00 0.00 41.25 38.62 1ajc s ASN 289 CO 0.62 -0.57 2.13 -0.65 -3.72 0.00 0.00 177.10 174.90 1ajc h PRO 290 N 7.38 0.00 -0.00 0.43 0.11 -1.92 -2.13 132.00 135.88 1ajc h PRO 290 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ajc h PRO 290 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ajc h PRO 290 CO 0.92 0.00 -0.32 1.04 -0.21 0.00 0.00 178.00 179.44 1ajc n GLN 291 N -2.88 0.37 -0.31 1.05 6.02 -1.26 -4.13 117.38 116.25 1ajc n GLN 291 Ca -0.02 -0.19 0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1ajc n GLN 291 Cb 0.12 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.21 1ajc n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ajc h ARG 292 N 0.47 0.35 -0.72 -1.09 0.11 -1.62 -3.47 114.38 108.41 1ajc h ARG 292 Ca 0.00 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.10 1ajc h ARG 292 Cb 0.48 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1ajc h ARG 292 CO 0.00 0.23 -0.23 0.09 0.10 0.00 0.00 179.97 180.16 1ajc n ASN 293 N -5.08 -1.62 -0.28 0.08 3.02 -1.26 -4.16 115.26 105.97 1ajc n ASN 293 Ca 0.23 0.33 0.11 0.00 -0.03 0.00 0.00 54.58 55.23 1ajc n ASN 293 Cb 0.71 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 39.30 1ajc n ASN 293 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ajc n ASP 294 N -2.17 1.41 -0.04 6.41 2.03 -1.26 -4.09 116.55 118.84 1ajc n ASP 294 Ca -0.01 -1.12 -0.02 0.00 0.52 0.00 0.00 54.79 54.16 1ajc n ASP 294 Cb 0.12 0.46 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 1ajc n ASP 294 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ajc n SER 295 N -0.62 2.43 -4.65 1.67 3.41 -1.26 -4.89 113.62 109.71 1ajc n SER 295 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 1ajc n SER 295 Cb 0.40 0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 65.28 1ajc n SER 295 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ajc s VAL 296 N -2.40 4.80 0.34 -3.33 1.01 -1.26 0.27 120.40 119.84 1ajc s VAL 296 Ca -0.05 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 1ajc s VAL 296 Cb 0.04 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1ajc s VAL 296 CO 0.44 -0.08 1.29 -2.16 0.00 0.00 0.00 175.10 174.59 1ajc s PRO 297 N 2.80 4.33 0.62 2.72 0.04 -1.26 -4.77 135.00 139.49 1ajc s PRO 297 Ca 0.38 2.18 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 1ajc s PRO 297 Cb -0.15 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1ajc s PRO 297 CO 0.08 -0.19 0.96 0.95 0.04 0.00 0.00 177.00 178.84 1ajc s THR 298 N -1.16 3.76 0.36 1.26 -4.23 -1.26 -4.89 115.64 109.49 1ajc s THR 298 Ca 0.49 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1ajc s THR 298 Cb -0.39 -3.52 0.29 0.00 1.34 0.00 0.00 72.50 70.22 1ajc s THR 298 CO 0.52 -0.59 1.97 0.25 -0.54 0.00 0.00 174.62 176.22 1ajc h LEU 299 N -0.31 0.66 -1.12 4.79 5.85 -1.95 -0.07 115.31 123.15 1ajc h LEU 299 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1ajc h LEU 299 Cb 1.25 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1ajc h LEU 299 CO 0.62 0.43 -0.09 0.00 -0.34 0.00 0.00 178.44 179.06 1ajc h ALA 300 N 1.61 1.00 0.16 1.25 0.00 -1.88 -1.69 119.26 119.71 1ajc h ALA 300 Ca 0.30 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.83 1ajc h ALA 300 Cb 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ajc h ALA 300 CO -0.09 0.12 -1.33 1.96 0.00 0.00 0.00 179.25 179.90 1ajc h GLN 301 N 0.00 0.33 -0.23 0.00 4.20 -1.40 -2.02 115.11 115.98 1ajc h GLN 301 Ca -0.00 -0.56 -0.14 0.00 0.06 0.00 0.00 58.65 58.01 1ajc h GLN 301 Cb 0.68 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1ajc h GLN 301 CO 0.01 1.26 -0.41 0.52 -0.67 0.00 0.00 178.83 179.55 1ajc h MET 302 N 0.09 0.68 -0.77 1.46 2.86 -1.24 -0.72 114.93 117.30 1ajc h MET 302 Ca -0.17 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1ajc h MET 302 Cb 2.02 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.69 1ajc h MET 302 CO 0.22 1.05 0.46 1.15 1.06 0.00 0.00 176.91 180.85 1ajc h THR 303 N 0.40 1.22 -0.25 2.22 2.02 -1.38 0.17 112.91 117.30 1ajc h THR 303 Ca 0.01 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1ajc h THR 303 Cb 1.00 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1ajc h THR 303 CO 0.09 0.23 0.00 -0.78 0.37 0.00 0.00 175.52 175.43 1ajc h ASP 304 N 1.05 0.42 -0.21 4.18 3.58 -1.25 -0.75 116.42 123.44 1ajc h ASP 304 Ca 0.28 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1ajc h ASP 304 Cb -0.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1ajc h ASP 304 CO -0.05 0.63 -0.03 0.50 -2.88 0.00 0.00 179.24 177.40 1ajc h LYS 305 N 0.21 0.40 -0.65 0.28 1.63 -0.92 -2.00 116.57 115.52 1ajc h LYS 305 Ca 0.07 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1ajc h LYS 305 Cb 0.41 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1ajc h LYS 305 CO 0.01 0.62 0.42 0.00 -3.45 0.00 0.00 179.45 177.05 1ajc h ALA 306 N 0.76 0.83 -0.92 5.00 0.00 -0.98 -0.87 119.26 123.09 1ajc h ALA 306 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ajc h ALA 306 Cb 0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1ajc h ALA 306 CO 0.02 0.28 0.60 0.82 0.00 0.00 0.00 179.25 180.97 1ajc h ILE 307 N 0.89 1.18 0.65 0.00 2.04 -1.00 -0.21 117.51 121.05 1ajc h ILE 307 Ca 0.24 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ajc h ILE 307 Cb -0.07 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 35.91 1ajc h ILE 307 CO -0.05 0.22 -0.31 -0.08 0.00 0.00 0.00 178.15 177.93 1ajc h GLU 308 N 1.19 -0.84 -0.55 2.37 4.81 -0.69 -2.00 114.58 118.87 1ajc h GLU 308 Ca 0.36 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1ajc h GLU 308 Cb -0.04 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ajc h GLU 308 CO -0.11 -0.53 0.32 -0.07 -0.73 0.00 0.00 179.01 177.90 1ajc h LEU 309 N -0.97 0.65 -0.47 1.64 3.38 -1.07 -2.86 115.31 115.61 1ajc h LEU 309 Ca -0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1ajc h LEU 309 Cb 0.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ajc h LEU 309 CO 0.15 0.51 -0.44 -0.07 0.09 0.00 0.00 178.44 178.68 1ajc h LEU 310 N 0.75 0.00 0.00 1.67 4.07 -0.99 -3.24 115.31 117.58 1ajc h LEU 310 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1ajc h LEU 310 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1ajc h LEU 310 CO -0.04 0.44 0.00 -1.54 -1.08 0.00 0.00 178.44 176.22 1ajc n SER 311 N -3.36 0.00 0.12 -0.43 3.41 -0.76 -2.77 113.62 109.83 1ajc n SER 311 Ca 0.01 -1.23 -0.19 0.00 -0.26 0.00 0.00 58.87 57.20 1ajc n SER 311 Cb 0.62 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.43 1ajc n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ajc h LYS 312 N 0.00 0.35 -6.02 4.33 1.79 -1.69 -3.43 116.57 111.90 1ajc h LYS 312 Ca 0.00 -0.60 -0.55 0.00 -2.18 0.00 0.00 60.65 57.31 1ajc h LYS 312 Cb 0.00 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1ajc h LYS 312 CO 0.00 1.29 1.43 1.21 -1.08 0.00 0.00 179.45 182.30 1ajc s ASN 313 N -7.28 5.40 0.36 0.86 3.84 -1.11 -4.84 114.94 112.17 1ajc s ASN 313 Ca -0.06 1.41 0.15 0.00 0.21 0.00 0.00 52.86 54.58 1ajc s ASN 313 Cb 0.06 -2.52 1.04 0.00 -0.55 0.00 0.00 41.25 39.29 1ajc s ASN 313 CO 0.90 -2.08 1.73 -0.33 -2.79 0.00 0.00 177.10 174.54 1ajc h GLU 314 N 15.13 0.43 0.00 0.43 5.08 -1.90 -1.22 114.58 132.53 1ajc h GLU 314 Ca -0.34 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1ajc h GLU 314 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ajc h GLU 314 CO 1.04 0.28 -0.41 0.87 -1.00 0.00 0.00 179.01 179.79 1ajc h LYS 315 N 0.44 0.00 0.00 2.33 1.79 -1.88 -3.50 116.57 115.75 1ajc h LYS 315 Ca 0.64 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1ajc h LYS 315 Cb 1.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1ajc h LYS 315 CO -0.40 0.41 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 1ajc n GLY 316 N -0.31 0.51 3.76 3.86 0.00 -0.46 -4.92 105.19 107.63 1ajc n GLY 316 Ca -0.02 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 1ajc n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ajc s PHE 317 N -0.57 0.01 -0.05 1.61 -0.12 -1.23 -1.59 117.98 116.03 1ajc s PHE 317 Ca 0.00 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 1ajc s PHE 317 Cb 0.00 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1ajc s PHE 317 CO 0.00 -1.15 -0.09 0.12 -0.05 0.00 0.00 175.22 174.05 1ajc s PHE 318 N -3.96 1.15 0.00 3.49 5.36 -0.21 -1.78 117.98 122.04 1ajc s PHE 318 Ca 0.15 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1ajc s PHE 318 Cb -0.04 -0.89 -0.01 0.00 -0.34 0.00 0.00 43.02 41.74 1ajc s PHE 318 CO 0.08 -0.23 -0.12 -1.17 -1.46 0.00 0.00 175.22 172.32 1ajc s LEU 319 N 0.73 2.07 -0.06 6.12 2.96 0.20 -0.95 118.68 129.75 1ajc s LEU 319 Ca -0.13 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1ajc s LEU 319 Cb -0.15 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 45.99 1ajc s LEU 319 CO 0.02 0.10 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.48 1ajc s GLN 320 N -0.53 1.36 -0.03 1.98 0.74 -0.97 -1.03 119.66 121.18 1ajc s GLN 320 Ca 0.03 -0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.21 1ajc s GLN 320 Cb -0.05 -1.21 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 1ajc s GLN 320 CO 0.00 -0.04 -0.19 0.08 -0.55 0.00 0.00 175.29 174.59 1ajc s VAL 321 N 0.86 1.50 -0.18 1.34 1.01 -0.09 -1.01 120.40 123.82 1ajc s VAL 321 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ajc s VAL 321 Cb -0.15 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1ajc s VAL 321 CO 0.01 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.74 1ajc s GLU 322 N -0.21 1.94 -0.62 2.72 2.12 -0.76 -0.27 118.70 123.63 1ajc s GLU 322 Ca 0.02 -0.73 -0.28 0.00 0.36 0.00 0.00 54.97 54.34 1ajc s GLU 322 Cb -0.10 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1ajc s GLU 322 CO 0.01 -0.40 1.37 0.20 -0.54 0.00 0.00 175.26 175.90 1ajc s GLY 323 N 1.46 0.89 -0.16 -1.50 0.00 -0.69 -2.55 107.32 104.77 1ajc s GLY 323 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 43.68 1ajc s GLY 323 CO -0.08 2.75 0.13 0.00 0.00 0.00 0.00 173.10 175.89 1ajc h ALA 324 N 10.76 0.10 0.00 3.20 0.00 -1.89 -2.68 119.26 128.76 1ajc h ALA 324 Ca -0.27 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1ajc h ALA 324 Cb 1.08 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ajc h ALA 324 CO 1.21 0.44 0.00 0.43 0.00 0.00 0.00 179.25 181.33 1ajc n SER 325 N -4.57 0.00 -0.29 0.00 7.64 -1.26 -2.62 113.62 112.52 1ajc n SER 325 Ca -0.16 0.43 0.06 0.00 1.01 0.00 0.00 58.87 60.21 1ajc n SER 325 Cb 0.42 -0.44 0.21 0.00 -1.01 0.00 0.00 64.21 63.39 1ajc n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ajc h ILE 326 N 0.00 0.77 -0.27 0.44 2.04 -1.79 0.26 117.51 118.97 1ajc h ILE 326 Ca 0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1ajc h ILE 326 Cb 0.01 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1ajc h ILE 326 CO 0.00 0.12 0.01 -0.78 0.00 0.00 0.00 178.15 177.50 1ajc h ASP 327 N 0.65 0.45 0.29 1.72 1.82 -0.88 -1.68 116.42 118.79 1ajc h ASP 327 Ca 0.44 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1ajc h ASP 327 Cb 0.58 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1ajc h ASP 327 CO -0.34 0.64 -0.14 0.11 -1.61 0.00 0.00 179.24 177.90 1ajc h LYS 328 N 0.26 -0.37 0.00 0.28 1.57 -1.24 0.49 116.57 117.55 1ajc h LYS 328 Ca 0.08 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1ajc h LYS 328 Cb 0.40 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ajc h LYS 328 CO 0.01 -0.13 -0.10 1.96 -0.57 0.00 0.00 179.45 180.62 1ajc h GLN 329 N -0.57 0.00 -0.15 3.15 1.08 -0.61 0.46 115.11 118.46 1ajc h GLN 329 Ca -0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1ajc h GLN 329 Cb 0.42 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1ajc h GLN 329 CO 0.07 0.10 -0.03 0.22 -0.95 0.00 0.00 178.83 178.23 1ajc h ASP 330 N 0.00 0.29 0.36 1.46 1.82 -0.88 0.39 116.42 119.86 1ajc h ASP 330 Ca -0.00 -0.35 -0.02 0.00 -0.39 0.00 0.00 57.03 56.26 1ajc h ASP 330 Cb 0.24 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1ajc h ASP 330 CO 0.01 0.57 -0.10 0.45 -1.61 0.00 0.00 179.24 178.56 1ajc h HIS 331 N -0.00 0.00 -0.59 0.28 3.86 0.14 -2.09 115.15 116.75 1ajc h HIS 331 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ajc h HIS 331 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1ajc h HIS 331 CO 0.05 0.10 0.00 0.00 0.86 0.00 0.00 177.93 178.94 1ajc n ALA 332 N -2.27 2.41 -2.86 2.45 0.00 0.13 -1.39 120.51 118.98 1ajc n ALA 332 Ca -0.02 -1.06 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1ajc n ALA 332 Cb 0.23 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1ajc n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ajc n ALA 333 N 1.30 -0.93 -3.57 0.00 0.00 -0.09 -4.65 120.51 112.56 1ajc n ALA 333 Ca 0.20 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 1ajc n ALA 333 Cb 0.52 -1.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1ajc n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ajc s ASN 334 N -2.33 5.84 0.27 0.00 3.84 -0.07 0.53 114.94 123.03 1ajc s ASN 334 Ca 0.18 -2.88 -0.02 0.00 0.21 0.00 0.00 52.86 50.34 1ajc s ASN 334 Cb -0.09 -1.99 0.57 0.00 -0.55 0.00 0.00 41.25 39.19 1ajc s ASN 334 CO 0.22 -0.42 1.65 -0.65 -2.79 0.00 0.00 177.10 175.11 1ajc h PRO 335 N 7.19 0.18 -0.51 0.43 0.11 -1.82 -1.68 132.00 135.91 1ajc h PRO 335 Ca 0.04 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 1ajc h PRO 335 Cb 0.97 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1ajc h PRO 335 CO 0.74 0.12 0.12 0.00 -0.21 0.00 0.00 178.00 178.77 1ajc h GLY 337 N 0.70 0.95 0.78 0.00 0.00 -1.57 0.77 103.07 104.69 1ajc h GLY 337 Ca 0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1ajc h GLY 337 CO 0.00 0.68 0.01 -1.61 0.00 0.00 0.00 176.54 175.62 1ajc h GLN 338 N 0.79 0.12 -0.62 4.80 4.15 -1.12 -2.50 115.11 120.72 1ajc h GLN 338 Ca 0.13 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1ajc h GLN 338 Cb 0.62 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1ajc h GLN 338 CO 0.04 0.34 0.08 0.82 -1.93 0.00 0.00 178.83 178.18 1ajc h ILE 339 N -0.12 1.26 -0.31 2.39 2.04 -0.77 -2.96 117.51 119.03 1ajc h ILE 339 Ca 0.02 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1ajc h ILE 339 Cb 0.28 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1ajc h ILE 339 CO 0.00 0.38 0.19 1.23 0.00 0.00 0.00 178.15 179.95 1ajc h GLY 340 N 1.03 0.43 1.67 5.37 0.00 -0.75 -1.81 103.07 109.02 1ajc h GLY 340 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ajc h GLY 340 CO 0.01 0.13 0.19 0.83 0.00 0.00 0.00 176.54 177.70 1ajc h GLU 341 N 0.38 0.31 -0.30 4.80 4.39 -1.33 0.53 114.58 123.36 1ajc h GLU 341 Ca 0.12 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1ajc h GLU 341 Cb -0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1ajc h GLU 341 CO -0.05 0.20 -0.04 1.15 -1.16 0.00 0.00 179.01 179.11 1ajc h THR 342 N 0.32 1.27 -0.74 1.13 2.02 -1.19 -0.50 112.91 115.23 1ajc h THR 342 Ca 0.11 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1ajc h THR 342 Cb 0.05 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1ajc h THR 342 CO -0.02 0.33 0.40 0.58 0.37 0.00 0.00 175.52 177.18 1ajc h VAL 343 N 0.33 1.22 -0.50 3.16 2.07 -0.85 -0.65 116.25 121.04 1ajc h VAL 343 Ca 0.08 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ajc h VAL 343 Cb 0.51 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1ajc h VAL 343 CO 0.02 0.25 0.23 -0.78 0.02 0.00 0.00 177.57 177.32 1ajc h ASP 344 N 1.02 0.31 -0.01 0.57 3.58 -0.59 -1.80 116.42 119.50 1ajc h ASP 344 Ca 0.26 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.63 1ajc h ASP 344 Cb 0.04 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1ajc h ASP 344 CO -0.04 0.22 -0.33 0.25 -2.88 0.00 0.00 179.24 176.46 1ajc h LEU 345 N 0.45 0.49 -0.92 2.28 5.85 -0.48 -2.77 115.31 120.21 1ajc h LEU 345 Ca 0.23 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1ajc h LEU 345 Cb 0.17 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1ajc h LEU 345 CO -0.18 0.80 0.60 -0.78 -0.34 0.00 0.00 178.44 178.54 1ajc h ASP 346 N 0.41 1.00 -0.32 1.25 3.58 -0.31 0.12 116.42 122.14 1ajc h ASP 346 Ca 0.05 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 1ajc h ASP 346 Cb 0.78 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1ajc h ASP 346 CO 0.06 0.68 0.01 -0.33 -2.88 0.00 0.00 179.24 176.79 1ajc h GLU 347 N 1.16 0.66 -0.07 0.28 5.08 -1.12 -1.51 114.58 119.06 1ajc h GLU 347 Ca 0.37 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1ajc h GLU 347 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ajc h GLU 347 CO -0.12 0.67 -0.02 0.00 -1.00 0.00 0.00 179.01 178.54 1ajc h ALA 348 N 1.39 0.09 -0.88 3.43 0.00 -1.10 -2.76 119.26 119.42 1ajc h ALA 348 Ca 0.13 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ajc h ALA 348 Cb 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1ajc h ALA 348 CO 0.01 -0.18 0.57 0.28 0.00 0.00 0.00 179.25 179.93 1ajc h VAL 349 N -0.22 0.97 -0.20 0.00 2.07 -0.61 -1.77 116.25 116.49 1ajc h VAL 349 Ca 0.02 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1ajc h VAL 349 Cb 0.43 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1ajc h VAL 349 CO 0.01 0.16 0.05 1.56 0.02 0.00 0.00 177.57 179.37 1ajc h GLN 350 N 0.88 0.14 0.19 1.57 4.20 -1.08 0.14 115.11 121.15 1ajc h GLN 350 Ca 0.41 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 1ajc h GLN 350 Cb 0.39 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1ajc h GLN 350 CO -0.17 0.09 -0.10 0.00 -0.67 0.00 0.00 178.83 177.98 1ajc h ARG 351 N 0.14 -0.26 -0.66 1.46 2.47 -1.07 0.52 114.38 116.98 1ajc h ARG 351 Ca 0.09 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.89 1ajc h ARG 351 Cb 0.07 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 1ajc h ARG 351 CO -0.10 -0.18 0.35 0.00 0.56 0.00 0.00 179.97 180.60 1ajc h ALA 352 N 0.54 0.88 -0.39 0.04 0.00 -1.22 -1.85 119.26 117.26 1ajc h ALA 352 Ca -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ajc h ALA 352 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ajc h ALA 352 CO 0.03 -0.00 -0.11 1.25 0.00 0.00 0.00 179.25 180.42 1ajc h LEU 353 N 0.63 0.68 -0.52 0.00 5.85 -0.33 -0.48 115.31 121.13 1ajc h LEU 353 Ca 0.30 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1ajc h LEU 353 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1ajc h LEU 353 CO -0.21 0.82 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.30 1ajc h GLU 354 N 0.63 0.98 0.55 1.25 4.39 -0.13 -1.12 114.58 121.14 1ajc h GLU 354 Ca 0.11 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1ajc h GLU 354 Cb 0.55 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1ajc h GLU 354 CO 0.03 1.03 -0.26 0.35 -1.16 0.00 0.00 179.01 179.00 1ajc h PHE 355 N 0.85 -0.68 -0.84 4.33 3.57 -1.19 -2.92 116.94 120.05 1ajc h PHE 355 Ca 0.14 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.78 1ajc h PHE 355 Cb 0.64 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1ajc h PHE 355 CO 0.05 -0.36 0.55 0.00 -2.23 0.00 0.00 178.31 176.31 1ajc h ALA 356 N -0.59 2.03 -0.62 2.41 0.00 -1.08 0.01 119.26 121.43 1ajc h ALA 356 Ca -0.08 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ajc h ALA 356 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ajc h ALA 356 CO 0.12 -0.27 0.14 -0.22 0.00 0.00 0.00 179.25 179.02 1ajc h LYS 357 N 0.51 0.98 0.08 0.00 3.64 -1.10 -1.37 116.57 119.31 1ajc h LYS 357 Ca 0.42 -0.22 -0.32 0.00 -1.27 0.00 0.00 60.65 59.26 1ajc h LYS 357 Cb 0.88 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1ajc h LYS 357 CO -0.16 0.88 -1.73 1.57 -2.27 0.00 0.00 179.45 177.73 1ajc h LYS 358 N 0.93 0.17 -0.36 1.90 2.10 -0.98 -3.35 116.57 116.99 1ajc h LYS 358 Ca 0.20 -0.29 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 1ajc h LYS 358 Cb 0.35 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1ajc h LYS 358 CO 0.00 0.95 -0.29 1.49 -2.00 0.00 0.00 179.45 179.60 1ajc h GLU 359 N 0.05 0.76 0.00 0.07 4.22 -1.08 -3.47 114.58 115.12 1ajc h GLU 359 Ca -0.31 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 58.79 1ajc h GLU 359 Cb 2.02 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1ajc h GLU 359 CO 0.11 0.95 0.00 0.41 -2.18 0.00 0.00 179.01 178.30 1ajc n GLY 360 N -0.12 0.68 0.24 1.92 0.00 -0.52 -4.79 105.19 102.61 1ajc n GLY 360 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ajc n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ajc n ASN 361 N -0.01 1.23 -4.88 1.61 3.02 -1.26 -4.90 115.26 110.08 1ajc n ASN 361 Ca 0.00 -2.47 -0.35 0.00 -0.03 0.00 0.00 54.58 51.74 1ajc n ASN 361 Cb 0.00 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 1ajc n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ajc s THR 362 N -1.43 5.38 -0.32 3.41 2.01 -1.26 0.09 115.64 123.52 1ajc s THR 362 Ca 0.15 -0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1ajc s THR 362 Cb 0.13 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1ajc s THR 362 CO 0.01 0.43 0.09 -0.22 -0.69 0.00 0.00 174.62 174.25 1ajc s LEU 363 N -1.59 4.07 -0.24 4.42 2.96 -0.50 -4.20 118.68 123.60 1ajc s LEU 363 Ca 0.22 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1ajc s LEU 363 Cb -0.12 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1ajc s LEU 363 CO 0.13 -0.26 0.08 -0.69 -1.32 0.00 0.00 176.35 174.29 1ajc s VAL 364 N 1.44 4.47 -0.05 1.68 1.01 -0.50 -0.82 120.40 127.64 1ajc s VAL 364 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1ajc s VAL 364 Cb -0.18 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1ajc s VAL 364 CO 0.02 0.35 -0.25 -0.63 0.00 0.00 0.00 175.10 174.59 1ajc s ILE 365 N 1.46 2.09 -0.09 2.22 1.01 -0.25 -1.43 121.20 126.21 1ajc s ILE 365 Ca 0.06 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1ajc s ILE 365 Cb -0.15 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1ajc s ILE 365 CO 0.04 0.57 -0.13 -0.69 0.00 0.00 0.00 174.94 174.73 1ajc s VAL 366 N -0.31 1.31 0.00 2.92 1.01 -0.48 -0.05 120.40 124.79 1ajc s VAL 366 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1ajc s VAL 366 Cb -0.13 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1ajc s VAL 366 CO 0.02 0.40 0.00 1.07 0.00 0.00 0.00 175.10 176.59 1ajc n THR 367 N 4.08 0.00 -4.29 3.92 5.66 -0.74 -1.96 114.28 120.95 1ajc n THR 367 Ca -0.20 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.65 1ajc n THR 367 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1ajc n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ajc s ALA 368 N -1.00 1.62 0.01 1.79 0.00 -1.26 -0.50 121.76 122.42 1ajc s ALA 368 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.24 1ajc s ALA 368 Cb 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 23.12 23.16 1ajc s ALA 368 CO 0.00 -0.21 0.90 0.38 0.00 0.00 0.00 175.76 176.84 1ajc h ASP 369 N 2.61 0.53 -5.04 0.00 2.03 -1.92 -3.48 116.42 111.14 1ajc h ASP 369 Ca -0.37 -0.67 -0.02 0.00 -0.73 0.00 0.00 57.03 55.24 1ajc h ASP 369 Cb 1.21 -0.17 -0.11 0.00 -0.83 0.00 0.00 39.33 39.43 1ajc h ASP 369 CO 0.64 1.54 0.11 -1.38 -1.03 0.00 0.00 179.24 179.12 1ajc s HIS 370 N -2.61 -0.31 0.83 4.15 -3.43 -1.26 -4.88 115.29 107.78 1ajc s HIS 370 Ca -0.09 0.02 -0.11 0.00 -0.80 0.00 0.00 55.06 54.07 1ajc s HIS 370 Cb 0.06 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.80 1ajc s HIS 370 CO 0.88 -0.89 1.18 0.00 -2.00 0.00 0.00 174.74 173.91 1ajc s ALA 371 N -3.82 2.70 0.00 -1.38 0.00 -1.21 -3.52 121.76 114.54 1ajc s ALA 371 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ajc s ALA 371 Cb -0.01 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1ajc s ALA 371 CO -0.08 -1.84 0.00 1.58 0.00 0.00 0.00 175.76 175.43 1ajc n HIS 372 N -3.35 0.00 0.03 0.00 -0.00 -1.25 -2.68 115.22 107.97 1ajc n HIS 372 Ca 0.11 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.07 1ajc n HIS 372 Cb 0.60 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.33 1ajc n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ajc h ALA 373 N 1.00 0.11 -0.95 1.57 0.00 -1.87 -3.38 119.26 115.75 1ajc h ALA 373 Ca 0.00 -1.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.15 1ajc h ALA 373 Cb 0.00 0.40 0.05 0.00 0.00 0.00 0.00 17.79 18.23 1ajc h ALA 373 CO 0.00 0.77 0.04 -1.13 0.00 0.00 0.00 179.25 178.93 1ajc n SER 374 N -3.91 -0.04 -3.95 0.00 3.41 -1.26 -4.72 113.62 103.16 1ajc n SER 374 Ca -0.23 1.10 -0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1ajc n SER 374 Cb 0.92 -0.87 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1ajc n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ajc s GLN 375 N -0.02 0.33 -0.27 4.33 -0.21 -0.58 -4.73 119.66 118.52 1ajc s GLN 375 Ca 0.85 -0.24 -0.17 0.00 0.02 0.00 0.00 55.36 55.82 1ajc s GLN 375 Cb -1.19 -0.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 1ajc s GLN 375 CO 0.54 0.07 0.49 0.42 -2.12 0.00 0.00 175.29 174.69 1ajc s ILE 376 N -0.32 5.08 0.49 1.08 1.01 -1.26 -0.23 121.20 127.05 1ajc s ILE 376 Ca -0.01 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1ajc s ILE 376 Cb -0.03 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ajc s ILE 376 CO -0.00 0.08 0.01 1.33 0.00 0.00 0.00 174.94 176.35 1ajc n VAL 377 N 5.17 0.00 -2.32 2.92 0.24 -0.78 -5.00 118.33 118.56 1ajc n VAL 377 Ca -0.05 -2.35 -0.38 0.00 -2.04 0.00 0.00 64.34 59.52 1ajc n VAL 377 Cb 0.50 0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 1ajc n VAL 377 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ajc s ALA 378 N -2.87 3.16 0.24 2.33 0.00 -1.26 -4.09 121.76 119.27 1ajc s ALA 378 Ca 0.01 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 1ajc s ALA 378 Cb 0.00 -3.37 0.39 0.00 0.00 0.00 0.00 23.12 20.14 1ajc s ALA 378 CO 0.01 -0.49 1.63 -1.35 0.00 0.00 0.00 175.76 175.56 1ajc h PRO 379 N 2.67 0.08 -0.91 0.00 0.11 -1.93 -0.02 132.00 132.00 1ajc h PRO 379 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1ajc h PRO 379 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ajc h PRO 379 CO 0.63 0.05 0.02 -0.40 -0.21 0.00 0.00 178.00 178.09 1ajc n ASP 380 N -5.37 2.32 -4.76 -2.05 5.68 -1.26 -4.87 116.55 106.23 1ajc n ASP 380 Ca 0.12 -2.26 -0.41 0.00 -0.50 0.00 0.00 54.79 51.75 1ajc n ASP 380 Cb 0.44 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 39.85 1ajc n ASP 380 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ajc s THR 381 N -1.37 2.71 -0.60 2.12 2.01 -0.02 -4.98 115.64 115.51 1ajc s THR 381 Ca 0.14 0.67 0.04 0.00 0.31 0.00 0.00 61.69 62.85 1ajc s THR 381 Cb 0.11 -3.43 0.15 0.00 0.01 0.00 0.00 72.50 69.34 1ajc s THR 381 CO 0.04 0.14 0.36 -0.54 -0.69 0.00 0.00 174.62 173.93 1ajc s LYS 382 N -1.33 2.14 0.42 4.92 1.02 -1.26 -4.90 119.74 120.75 1ajc s LYS 382 Ca 0.52 -2.91 0.03 0.00 0.02 0.00 0.00 55.97 53.64 1ajc s LYS 382 Cb -0.40 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1ajc s LYS 382 CO 0.50 -1.19 0.61 0.00 -0.92 0.00 0.00 175.35 174.34 1ajc s ALA 383 N -0.77 4.02 -0.82 5.17 0.00 -1.26 -5.03 121.76 123.08 1ajc s ALA 383 Ca 0.21 -1.30 0.26 0.00 0.00 0.00 0.00 51.96 51.12 1ajc s ALA 383 Cb -0.16 -1.92 0.62 0.00 0.00 0.00 0.00 23.12 21.66 1ajc s ALA 383 CO -0.08 -0.30 1.53 -0.35 0.00 0.00 0.00 175.76 176.56 1ajc n PRO 384 N -1.94 0.15 0.00 0.00 -0.04 -1.26 -4.66 135.00 127.25 1ajc n PRO 384 Ca 0.02 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ajc n PRO 384 Cb 0.58 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ajc n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ajc n GLY 385 N 1.41 1.52 3.66 0.55 0.00 -1.26 -4.98 105.19 106.09 1ajc n GLY 385 Ca 0.05 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1ajc n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajc s LEU 386 N 0.00 3.84 0.16 0.99 1.43 -0.39 -4.12 118.68 120.59 1ajc s LEU 386 Ca 0.00 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1ajc s LEU 386 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1ajc s LEU 386 CO 0.00 0.22 -0.13 0.42 0.23 0.00 0.00 176.35 177.09 1ajc s THR 387 N 0.10 1.43 -0.17 5.49 -4.23 0.29 -0.86 115.64 117.69 1ajc s THR 387 Ca 0.05 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 1ajc s THR 387 Cb -0.12 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 71.97 1ajc s THR 387 CO 0.01 -0.56 0.43 -1.58 -0.54 0.00 0.00 174.62 172.37 1ajc s GLN 388 N -3.29 0.46 -0.19 3.99 0.74 -0.82 -2.14 119.66 118.41 1ajc s GLN 388 Ca 0.16 0.70 -0.10 0.00 0.05 0.00 0.00 55.36 56.16 1ajc s GLN 388 Cb -0.01 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.16 1ajc s GLN 388 CO 0.04 -0.11 0.15 0.00 -0.55 0.00 0.00 175.29 174.82 1ajc s ALA 389 N 0.81 3.69 0.18 1.58 0.00 -1.26 -1.16 121.76 125.59 1ajc s ALA 389 Ca -0.05 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.36 1ajc s ALA 389 Cb -0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1ajc s ALA 389 CO -0.06 0.19 -0.18 -0.51 0.00 0.00 0.00 175.76 175.20 1ajc s LEU 390 N 0.26 2.66 -0.53 0.00 1.43 0.26 0.41 118.68 123.17 1ajc s LEU 390 Ca 0.10 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 52.29 1ajc s LEU 390 Cb -0.11 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.79 1ajc s LEU 390 CO -0.01 0.12 0.62 0.20 0.23 0.00 0.00 176.35 177.52 1ajc s ASN 391 N -2.65 6.20 0.83 2.29 0.02 0.13 -1.33 114.94 120.44 1ajc s ASN 391 Ca 0.22 -1.16 -0.12 0.00 -1.02 0.00 0.00 52.86 50.78 1ajc s ASN 391 Cb -0.09 -2.28 0.09 0.00 0.02 0.00 0.00 41.25 39.00 1ajc s ASN 391 CO 0.12 -0.94 1.12 0.42 0.02 0.00 0.00 177.10 177.84 1ajc s THR 392 N 2.51 2.60 0.62 1.60 -4.23 0.06 -4.88 115.64 113.93 1ajc s THR 392 Ca 0.12 0.20 0.35 0.00 -1.18 0.00 0.00 61.69 61.17 1ajc s THR 392 Cb -0.22 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.02 1ajc s THR 392 CO 0.09 -0.26 2.23 0.50 -0.54 0.00 0.00 174.62 176.64 1ajc h LYS 393 N -1.21 0.00 0.00 3.99 3.64 -1.35 0.21 116.57 121.86 1ajc h LYS 393 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ajc h LYS 393 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1ajc h LYS 393 CO 0.61 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.54 1ajc n ASP 394 N -3.49 0.00 -3.08 4.20 8.00 -1.26 -4.84 116.55 116.08 1ajc n ASP 394 Ca -0.02 -1.01 -0.19 0.00 0.71 0.00 0.00 54.79 54.28 1ajc n ASP 394 Cb 0.16 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 1ajc n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ajc n GLY 395 N 0.64 -0.29 3.18 0.44 0.00 0.74 -5.00 105.19 104.89 1ajc n GLY 395 Ca 0.17 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1ajc n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajc s ALA 396 N -3.27 1.01 -0.15 4.61 0.00 -1.25 -4.96 121.76 117.76 1ajc s ALA 396 Ca 0.44 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1ajc s ALA 396 Cb -0.19 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 1ajc s ALA 396 CO 0.61 -0.36 0.24 0.08 0.00 0.00 0.00 175.76 176.34 1ajc s VAL 397 N -3.80 5.33 -0.12 0.00 1.01 -1.26 -0.76 120.40 120.81 1ajc s VAL 397 Ca 0.19 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1ajc s VAL 397 Cb 0.07 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ajc s VAL 397 CO -0.00 0.44 -0.21 -0.32 0.00 0.00 0.00 175.10 175.00 1ajc s MET 398 N 0.16 3.10 -0.13 2.72 0.00 -0.44 -4.90 119.30 119.81 1ajc s MET 398 Ca 0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 55.69 54.95 1ajc s MET 398 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 34.83 32.27 1ajc s MET 398 CO 0.03 0.14 0.06 0.08 0.00 0.00 0.00 175.02 175.33 1ajc s VAL 399 N 0.46 4.78 0.07 10.11 1.01 -1.26 -0.58 120.40 135.00 1ajc s VAL 399 Ca -0.15 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1ajc s VAL 399 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1ajc s VAL 399 CO 0.06 0.56 -0.26 -0.04 0.00 0.00 0.00 175.10 175.42 1ajc s MET 400 N -0.49 1.68 0.09 2.72 -1.94 -0.31 -1.86 119.30 119.19 1ajc s MET 400 Ca 0.10 -1.18 0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1ajc s MET 400 Cb -0.12 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1ajc s MET 400 CO 0.02 0.49 -0.18 0.45 -0.01 0.00 0.00 175.02 175.79 1ajc s SER 401 N -1.52 2.21 -0.29 3.03 0.15 0.67 -1.94 113.70 116.02 1ajc s SER 401 Ca 0.13 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1ajc s SER 401 Cb -0.10 -0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.20 1ajc s SER 401 CO 0.03 -0.00 0.13 -0.31 1.20 0.00 0.00 173.24 174.29 1ajc s TYR 402 N -1.27 0.37 -0.04 3.44 2.02 -0.03 -1.52 117.35 120.31 1ajc s TYR 402 Ca 0.04 -0.89 0.06 0.00 -0.37 0.00 0.00 57.07 55.91 1ajc s TYR 402 Cb -0.10 -0.92 0.10 0.00 -0.40 0.00 0.00 41.96 40.64 1ajc s TYR 402 CO 0.04 -0.82 1.02 0.41 -1.57 0.00 0.00 175.55 174.62 1ajc n GLY 403 N 5.24 1.82 0.10 0.71 0.00 -1.26 -1.26 105.19 110.54 1ajc n GLY 403 Ca -0.06 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1ajc n GLY 403 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ajc h ASN 404 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.45 115.58 110.72 1ajc h ASN 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ajc h ASN 404 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1ajc h ASN 404 CO 0.00 0.33 0.00 0.47 0.07 0.00 0.00 177.43 178.30 1ajc n ASP 408 N -2.81 0.00 -4.25 6.14 9.92 -1.26 -4.60 116.55 119.69 1ajc n ASP 408 Ca -0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.07 1ajc n ASP 408 Cb 0.71 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.09 1ajc n ASP 408 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1ajc s SER 409 N 0.00 0.78 0.14 -2.24 0.01 -1.26 -4.96 113.70 106.16 1ajc s SER 409 Ca 0.00 -1.33 -0.29 0.00 1.31 0.00 0.00 55.95 55.64 1ajc s SER 409 Cb 0.00 0.24 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 1ajc s SER 409 CO 0.00 -0.74 0.92 -1.10 0.41 0.00 0.00 173.24 172.73 1ajc s GLN 410 N -4.05 4.70 0.86 12.44 -1.52 -0.49 -5.05 119.66 126.56 1ajc s GLN 410 Ca 0.34 1.39 -0.08 0.00 -1.95 0.00 0.00 55.36 55.06 1ajc s GLN 410 Cb 0.07 -3.34 0.19 0.00 -0.22 0.00 0.00 33.01 29.70 1ajc s GLN 410 CO 0.10 0.32 1.17 0.39 -0.25 0.00 0.00 175.29 177.02 1ajc n GLU 411 N 2.41 -0.71 -2.81 2.91 1.02 -1.26 -4.34 120.64 117.86 1ajc n GLU 411 Ca 0.00 -2.41 -0.21 0.00 -0.02 0.00 0.00 57.16 54.52 1ajc n GLU 411 Cb 0.49 -1.02 0.02 0.00 -0.02 0.00 0.00 31.44 30.91 1ajc n GLU 411 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1ajc s HIS 412 N -3.52 2.98 0.11 -0.32 3.76 -1.26 -2.98 115.29 114.06 1ajc s HIS 412 Ca 0.71 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 1ajc s HIS 412 Cb -0.03 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 1ajc s HIS 412 CO 0.49 -0.64 -0.08 0.95 -0.85 0.00 0.00 174.74 174.60 1ajc s THR 413 N -2.64 0.87 -0.38 1.30 -4.23 -1.09 -4.86 115.64 104.60 1ajc s THR 413 Ca 0.54 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1ajc s THR 413 Cb -0.10 -1.56 0.62 0.00 1.34 0.00 0.00 72.50 72.80 1ajc s THR 413 CO 0.38 -0.72 1.61 0.61 -0.54 0.00 0.00 174.62 175.95 1ajc n GLY 414 N 0.19 3.24 3.77 3.99 0.00 -1.26 -3.28 105.19 111.83 1ajc n GLY 414 Ca -0.13 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1ajc n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ajc s SER 415 N -0.72 6.54 0.43 1.61 0.15 -1.26 -4.87 113.70 115.58 1ajc s SER 415 Ca 0.45 2.29 -0.25 0.00 0.70 0.00 0.00 55.95 59.14 1ajc s SER 415 Cb 0.36 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.98 1ajc s SER 415 CO 0.11 -0.66 1.32 0.00 1.20 0.00 0.00 173.24 175.21 1ajc s GLN 416 N -2.35 3.80 0.28 5.44 -2.07 -1.26 -4.43 119.66 119.06 1ajc s GLN 416 Ca 0.58 2.19 0.04 0.00 -1.82 0.00 0.00 55.36 56.35 1ajc s GLN 416 Cb -0.29 -2.65 -0.06 0.00 -1.09 0.00 0.00 33.01 28.92 1ajc s GLN 416 CO 0.36 -0.64 0.00 -0.48 -1.32 0.00 0.00 175.29 173.22 1ajc s LEU 417 N -2.66 2.27 0.59 2.60 0.05 -1.14 -4.90 118.68 115.50 1ajc s LEU 417 Ca 0.60 -1.26 -0.20 0.00 0.05 0.00 0.00 54.13 53.32 1ajc s LEU 417 Cb -0.39 -0.41 -0.03 0.00 -2.05 0.00 0.00 46.19 43.31 1ajc s LEU 417 CO 0.49 -0.49 1.30 -1.14 -0.55 0.00 0.00 176.35 175.96 1ajc n ARG 418 N -0.55 1.40 -3.70 1.48 0.63 -1.26 -2.12 116.66 112.54 1ajc n ARG 418 Ca -0.04 0.53 -0.12 0.00 -0.92 0.00 0.00 57.85 57.30 1ajc n ARG 418 Cb 0.65 -2.53 -0.12 0.00 0.45 0.00 0.00 32.46 30.91 1ajc n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1ajc s ILE 419 N -1.34 -0.17 0.10 5.15 2.07 -1.10 -4.29 121.20 121.61 1ajc s ILE 419 Ca 0.76 0.16 0.04 0.00 -1.41 0.00 0.00 60.65 60.20 1ajc s ILE 419 Cb -0.40 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1ajc s ILE 419 CO 0.45 0.07 -0.10 0.00 -1.91 0.00 0.00 174.94 173.45 1ajc s ALA 420 N 1.67 1.12 0.22 1.50 0.00 -0.83 -1.21 121.76 124.24 1ajc s ALA 420 Ca -0.07 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 1ajc s ALA 420 Cb -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1ajc s ALA 420 CO -0.10 -0.05 0.42 0.00 0.00 0.00 0.00 175.76 176.02 1ajc s ALA 421 N -2.57 -0.14 -0.16 0.00 0.00 -0.19 -1.39 121.76 117.32 1ajc s ALA 421 Ca 0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1ajc s ALA 421 Cb -0.02 1.04 0.05 0.00 0.00 0.00 0.00 23.12 24.19 1ajc s ALA 421 CO -0.00 -0.79 0.39 -0.47 0.00 0.00 0.00 175.76 174.89 1ajc s TYR 422 N -4.01 -0.52 0.00 0.00 5.04 -0.51 -2.67 117.35 114.68 1ajc s TYR 422 Ca 0.22 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1ajc s TYR 422 Cb 0.01 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1ajc s TYR 422 CO 0.07 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.40 1ajc n GLY 423 N 3.70 -0.25 3.75 8.97 0.00 -1.26 -1.41 105.19 118.69 1ajc n GLY 423 Ca -0.19 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.16 1ajc n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ajc n PRO 424 N -0.15 2.27 -0.81 1.61 -0.02 -1.26 -2.22 135.00 134.43 1ajc n PRO 424 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ajc n PRO 424 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 30.91 1ajc n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ajc n HIS 425 N -0.04 0.00 0.31 6.00 8.25 -0.46 -4.77 115.22 124.51 1ajc n HIS 425 Ca 0.05 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.67 1ajc n HIS 425 Cb 0.40 -1.46 0.74 0.00 1.12 0.00 0.00 29.99 30.80 1ajc n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ajc h ALA 426 N 0.00 1.00 0.00 -1.41 0.00 -1.70 -1.91 119.26 115.25 1ajc h ALA 426 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ajc h ALA 426 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ajc h ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1ajc h ALA 427 N 2.06 1.00 0.00 0.00 0.00 -1.86 -2.30 119.26 118.15 1ajc h ALA 427 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ajc h ALA 427 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ajc h ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1ajc n ASN 428 N -2.98 0.00 -0.00 0.00 3.02 -0.72 -3.08 115.26 111.50 1ajc n ASN 428 Ca -0.03 -1.44 0.08 0.00 -0.03 0.00 0.00 54.58 53.17 1ajc n ASN 428 Cb 0.08 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 1ajc n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ajc n VAL 429 N -0.70 0.00 -2.24 2.41 0.24 -0.87 -4.99 118.33 112.18 1ajc n VAL 429 Ca 0.09 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.34 61.78 1ajc n VAL 429 Cb 0.04 0.61 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 1ajc n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ajc s VAL 430 N -2.81 3.06 0.01 3.34 1.01 -1.18 -3.53 120.40 120.31 1ajc s VAL 430 Ca 0.01 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1ajc s VAL 430 Cb 0.12 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1ajc s VAL 430 CO 0.68 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1ajc n GLY 431 N 0.54 -2.17 3.70 4.51 0.00 -1.26 -4.81 105.19 105.69 1ajc n GLY 431 Ca 0.06 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1ajc n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajc s LEU 432 N 0.00 4.32 0.23 0.99 2.96 -1.25 -2.34 118.68 123.59 1ajc s LEU 432 Ca 0.00 1.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.77 1ajc s LEU 432 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1ajc s LEU 432 CO 0.00 -0.52 0.20 0.42 -1.32 0.00 0.00 176.35 175.13 1ajc s THR 433 N 1.73 0.00 0.20 3.68 -4.23 -0.44 -4.99 115.64 111.59 1ajc s THR 433 Ca 0.57 -1.92 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1ajc s THR 433 Cb -0.26 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ajc s THR 433 CO 0.25 0.00 0.09 -0.62 -0.54 0.00 0.00 174.62 173.80 1ajc s ASP 434 N -3.18 5.17 0.26 3.99 2.15 -1.26 -1.18 116.67 122.62 1ajc s ASP 434 Ca 0.37 -0.30 -0.04 0.00 0.43 0.00 0.00 52.55 53.01 1ajc s ASP 434 Cb 0.05 -1.23 0.36 0.00 -0.30 0.00 0.00 42.92 41.80 1ajc s ASP 434 CO 0.15 0.04 1.89 -0.61 -0.17 0.00 0.00 175.17 176.47 1ajc h GLN 435 N 2.22 1.17 0.00 4.34 4.15 -1.21 0.30 115.11 126.08 1ajc h GLN 435 Ca -0.47 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1ajc h GLN 435 Cb 1.22 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1ajc h GLN 435 CO 0.61 0.77 0.00 1.79 -1.93 0.00 0.00 178.83 180.07 1ajc h THR 436 N 1.20 0.00 -0.27 2.39 1.35 -1.85 -0.35 112.91 115.38 1ajc h THR 436 Ca 0.41 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 66.11 1ajc h THR 436 Cb 0.09 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 1ajc h THR 436 CO -0.15 0.00 -0.08 0.44 -0.25 0.00 0.00 175.52 175.48 1ajc h ASP 437 N 0.00 0.41 -0.77 5.36 3.32 -1.23 -2.81 116.42 120.70 1ajc h ASP 437 Ca 0.00 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.07 1ajc h ASP 437 Cb 0.10 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1ajc h ASP 437 CO 0.00 0.53 0.50 0.25 -1.72 0.00 0.00 179.24 178.81 1ajc h LEU 438 N 0.40 0.57 0.18 1.55 5.85 -1.13 -0.70 115.31 122.03 1ajc h LEU 438 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ajc h LEU 438 Cb 0.40 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ajc h LEU 438 CO 0.02 0.33 -0.09 0.15 -0.34 0.00 0.00 178.44 178.51 1ajc h PHE 439 N 0.62 -0.22 -0.45 1.25 3.57 -1.47 -1.71 116.94 118.53 1ajc h PHE 439 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 1ajc h PHE 439 Cb 0.56 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1ajc h PHE 439 CO -0.00 -0.06 0.03 1.88 -2.23 0.00 0.00 178.31 177.94 1ajc h TYR 440 N -0.34 0.74 -0.43 0.41 0.05 -1.45 0.23 116.97 116.18 1ajc h TYR 440 Ca -0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1ajc h TYR 440 Cb 0.27 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1ajc h TYR 440 CO -0.04 0.68 0.24 1.15 -1.05 0.00 0.00 178.16 179.14 1ajc h THR 441 N 0.67 1.15 -0.17 -2.88 2.02 -1.02 -0.23 112.91 112.46 1ajc h THR 441 Ca 0.14 -0.38 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 1ajc h THR 441 Cb 0.37 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ajc h THR 441 CO 0.01 0.16 -0.63 0.24 0.37 0.00 0.00 175.52 175.67 1ajc h MET 442 N 0.56 0.61 -0.66 6.66 2.86 -0.79 -0.42 114.93 123.75 1ajc h MET 442 Ca 0.15 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1ajc h MET 442 Cb 0.04 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1ajc h MET 442 CO -0.03 1.05 0.37 -0.22 1.06 0.00 0.00 176.91 179.14 1ajc h LYS 443 N 0.45 0.91 -0.20 1.72 3.11 -0.40 -1.65 116.57 120.52 1ajc h LYS 443 Ca -0.01 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.64 1ajc h LYS 443 Cb 1.21 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1ajc h LYS 443 CO 0.12 0.68 -0.22 0.00 -2.81 0.00 0.00 179.45 177.22 1ajc h ALA 444 N 1.18 0.29 -0.44 5.00 0.00 -0.91 -1.24 119.26 123.14 1ajc h ALA 444 Ca 0.23 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ajc h ALA 444 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ajc h ALA 444 CO -0.04 0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.60 1ajc h ALA 445 N 0.64 0.58 0.00 0.00 0.00 -0.96 -2.77 119.26 116.75 1ajc h ALA 445 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ajc h ALA 445 Cb 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ajc h ALA 445 CO 0.05 0.21 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1ajc h LEU 446 N 0.57 0.00 0.00 0.00 4.07 -1.35 -1.88 115.31 116.73 1ajc h LEU 446 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ajc h LEU 446 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1ajc h LEU 446 CO -0.01 0.00 -0.00 0.61 -1.08 0.00 0.00 178.44 177.96 1ajc n GLY 447 N 0.47 0.38 3.77 0.83 0.00 -0.87 -4.94 105.19 104.83 1ajc n GLY 447 Ca 0.03 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1ajc n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajc s LEU 448 N -0.01 4.10 0.00 0.99 1.02 -0.52 -5.02 118.68 119.24 1ajc s LEU 448 Ca 0.00 2.30 0.00 0.00 0.02 0.00 0.00 54.13 56.45 1ajc s LEU 448 Cb 0.00 -4.15 0.00 0.00 0.02 0.00 0.00 46.19 42.06 1ajc s LEU 448 CO 0.00 -0.78 0.00 0.29 0.02 0.00 0.00 176.35 175.88