#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itc s VAL 2 N 0.00 3.56 -1.42 0.00 -7.23 -0.84 -3.52 120.40 110.95 1itc s VAL 2 Ca 0.00 0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 60.79 1itc s VAL 2 Cb 0.00 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1itc s VAL 2 CO 0.00 -0.54 0.12 0.59 -0.31 0.00 0.00 175.10 174.96 1itc n ASN 3 N -2.74 -5.10 -0.59 4.85 5.03 -1.26 -2.61 115.26 112.85 1itc n ASN 3 Ca 0.09 -0.07 -0.08 0.00 0.87 0.00 0.00 54.58 55.39 1itc n ASN 3 Cb 0.53 -4.13 -0.03 0.00 -1.02 0.00 0.00 39.78 35.13 1itc n ASN 3 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1itc n GLY 4 N -1.11 0.75 0.00 7.41 0.00 -1.23 -4.96 105.19 106.05 1itc n GLY 4 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1itc n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1itc n LYS 5 N -0.43 1.08 -1.31 1.61 5.02 -1.07 -1.90 118.16 121.16 1itc n LYS 5 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1itc n LYS 5 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1itc n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itc n GLY 6 N 5.00 4.62 3.77 0.72 0.00 -1.26 -0.72 105.19 117.31 1itc n GLY 6 Ca 0.00 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1itc n GLY 6 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1itc s MET 7 N -0.96 2.76 0.13 1.61 0.23 -1.24 -4.68 119.30 117.14 1itc s MET 7 Ca 0.00 1.42 -0.31 0.00 -1.03 0.00 0.00 55.69 55.78 1itc s MET 7 Cb 0.00 -1.94 -0.08 0.00 -1.53 0.00 0.00 34.83 31.28 1itc s MET 7 CO 0.00 -1.29 1.32 1.21 -2.03 0.00 0.00 175.02 174.23 1itc s ASN 8 N -2.52 6.91 0.55 -1.18 3.84 -1.26 -4.73 114.94 116.55 1itc s ASN 8 Ca 0.68 2.27 0.31 0.00 0.21 0.00 0.00 52.86 56.32 1itc s ASN 8 Cb -0.21 -2.59 1.60 0.00 -0.55 0.00 0.00 41.25 39.50 1itc s ASN 8 CO 0.41 -0.56 2.12 -0.65 -2.79 0.00 0.00 177.10 175.63 1itc h PRO 9 N 6.37 0.00 -0.10 0.43 0.11 -1.93 -2.63 132.00 134.25 1itc h PRO 9 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1itc h PRO 9 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1itc h PRO 9 CO 0.82 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.45 1itc n ASP 10 N -3.52 1.77 -4.61 -2.05 8.00 -1.26 -4.71 116.55 110.17 1itc n ASP 10 Ca -0.02 -1.64 -0.50 0.00 0.71 0.00 0.00 54.79 53.34 1itc n ASP 10 Cb 0.21 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 1itc n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itc n TYR 11 N 0.38 1.68 -4.12 1.24 9.36 -0.99 -4.78 117.16 119.91 1itc n TYR 11 Ca 0.18 0.56 -0.13 0.00 3.32 0.00 0.00 57.90 61.82 1itc n TYR 11 Cb 0.37 -2.38 -0.11 0.00 -0.63 0.00 0.00 39.34 36.60 1itc n TYR 11 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1itc s LYS 12 N 0.42 0.70 -0.08 2.98 -0.14 -0.92 -4.67 119.74 118.03 1itc s LYS 12 Ca 0.81 -1.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 1itc s LYS 12 Cb -0.87 -0.33 -0.03 0.00 -1.68 0.00 0.00 37.83 34.92 1itc s LYS 12 CO 0.46 0.04 -0.08 0.00 -0.76 0.00 0.00 175.35 175.01 1itc s ALA 13 N -2.34 2.92 0.20 5.17 0.00 -1.26 -1.65 121.76 124.79 1itc s ALA 13 Ca 0.01 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1itc s ALA 13 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1itc s ALA 13 CO -0.01 0.51 -0.16 0.71 0.00 0.00 0.00 175.76 176.81 1itc s TYR 14 N -0.61 1.77 -0.10 0.00 2.02 0.14 -0.06 117.35 120.52 1itc s TYR 14 Ca 0.09 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1itc s TYR 14 Cb -0.12 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1itc s TYR 14 CO 0.02 0.37 -0.14 -1.17 -1.57 0.00 0.00 175.55 173.05 1itc s LEU 15 N -3.11 1.69 0.07 -1.29 2.96 -0.51 -1.00 118.68 117.49 1itc s LEU 15 Ca 0.21 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 1itc s LEU 15 Cb -0.03 -1.02 -0.06 0.00 0.50 0.00 0.00 46.19 45.58 1itc s LEU 15 CO 0.07 0.02 1.17 -0.04 -1.32 0.00 0.00 176.35 176.25 1itc s MET 16 N 0.91 4.46 0.97 1.98 -1.94 -0.65 -1.09 119.30 123.93 1itc s MET 16 Ca -0.09 1.74 -0.14 0.00 -1.71 0.00 0.00 55.69 55.49 1itc s MET 16 Cb -0.15 -3.35 0.17 0.00 2.01 0.00 0.00 34.83 33.52 1itc s MET 16 CO 0.00 -0.20 1.16 0.00 -0.01 0.00 0.00 175.02 175.98 1itc s ALA 17 N 0.88 1.66 0.89 3.03 0.00 0.26 -0.55 121.76 127.93 1itc s ALA 17 Ca 0.57 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 1itc s ALA 17 Cb -0.29 -2.96 0.12 0.00 0.00 0.00 0.00 23.12 19.99 1itc s ALA 17 CO 0.30 -2.53 1.09 -2.14 0.00 0.00 0.00 175.76 172.48 1itc s PRO 18 N -5.40 1.32 0.14 0.00 0.02 -1.26 -4.59 135.00 125.24 1itc s PRO 18 Ca 0.67 1.02 -0.06 0.00 0.02 0.00 0.00 61.00 62.65 1itc s PRO 18 Cb -0.12 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1itc s PRO 18 CO 0.54 -2.25 1.36 -0.07 -0.33 0.00 0.00 177.00 176.25 1itc h LEU 19 N -1.57 0.66-10.42 -5.54 -0.00 -1.97 -3.44 115.31 93.03 1itc h LEU 19 Ca -0.48 -0.45 -0.49 0.00 -0.00 0.00 0.00 57.88 56.46 1itc h LEU 19 Cb 1.27 -0.20 0.06 0.00 -0.00 0.00 0.00 40.66 41.80 1itc h LEU 19 CO 0.51 1.22 0.32 -0.54 -0.00 0.00 0.00 178.44 179.95 1itc s LYS 20 N -3.60 3.11 0.54 1.13 1.02 -1.26 -4.92 119.74 115.75 1itc s LYS 20 Ca -0.07 0.37 -0.21 0.00 0.02 0.00 0.00 55.97 56.07 1itc s LYS 20 Cb 0.09 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1itc s LYS 20 CO 0.87 -0.75 1.28 0.15 -0.92 0.00 0.00 175.35 175.98 1itc s LYS 21 N -5.15 3.23 0.24 1.68 1.02 -1.26 -4.91 119.74 114.59 1itc s LYS 21 Ca 0.55 2.05 -0.06 0.00 0.02 0.00 0.00 55.97 58.53 1itc s LYS 21 Cb -0.11 -2.22 0.44 0.00 -0.52 0.00 0.00 37.83 35.42 1itc s LYS 21 CO 0.50 -1.06 1.69 0.82 -0.92 0.00 0.00 175.35 176.38 1itc h ILE 22 N 1.41 0.54 -0.02 2.17 1.08 -1.93 -0.63 117.51 120.12 1itc h ILE 22 Ca -0.50 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1itc h ILE 22 Cb 1.29 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1itc h ILE 22 CO 0.57 0.05 0.21 -0.65 -0.69 0.00 0.00 178.15 177.64 1itc h PRO 23 N 0.28 0.00 -0.05 2.37 0.11 -1.91 0.40 132.00 133.20 1itc h PRO 23 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1itc h PRO 23 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1itc h PRO 23 CO -0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.69 1itc n GLU 24 N -3.04 1.84 -0.00 1.05 1.02 -0.25 -4.34 120.64 116.92 1itc n GLU 24 Ca -0.02 -1.22 -0.01 0.00 -0.02 0.00 0.00 57.16 55.90 1itc n GLU 24 Cb 0.27 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1itc n GLU 24 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1itc n VAL 25 N 0.47 0.04 -3.71 2.62 0.31 0.11 -5.01 118.33 113.17 1itc n VAL 25 Ca 0.18 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.42 1itc n VAL 25 Cb 0.41 -0.97 0.03 0.00 -0.91 0.00 0.00 33.84 32.40 1itc n VAL 25 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1itc n THR 26 N -2.75 0.00 -3.26 2.52 5.66 0.56 -5.13 114.28 111.88 1itc n THR 26 Ca -0.01 -0.88 -0.26 0.00 -3.05 0.00 0.00 64.05 59.84 1itc n THR 26 Cb 0.51 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.16 1itc n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1itc s ASN 27 N -2.85 6.34 0.53 1.09 2.20 -1.26 -3.66 114.94 117.34 1itc s ASN 27 Ca 0.14 0.61 0.19 0.00 -0.94 0.00 0.00 52.86 52.87 1itc s ASN 27 Cb -0.04 -2.10 1.38 0.00 -2.00 0.00 0.00 41.25 38.48 1itc s ASN 27 CO 0.11 -0.30 2.15 -0.50 -2.94 0.00 0.00 177.10 175.62 1itc h TRP 28 N 1.02 0.00 -0.02 1.54 4.06 -1.98 -1.27 115.95 119.30 1itc h TRP 28 Ca -0.49 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.46 1itc h TRP 28 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1itc h TRP 28 CO 0.54 0.00 -0.01 1.49 -3.56 0.00 0.00 178.44 176.91 1itc h GLU 29 N 0.00 0.05 -0.38 0.49 4.81 -2.00 -2.08 114.58 115.47 1itc h GLU 29 Ca 0.03 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1itc h GLU 29 Cb 0.11 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1itc h GLU 29 CO -0.00 0.42 0.01 1.15 -0.73 0.00 0.00 179.01 179.85 1itc h THR 30 N -0.33 1.21 -0.41 0.32 2.02 -1.87 -2.59 112.91 111.26 1itc h THR 30 Ca 0.01 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1itc h THR 30 Cb 0.40 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1itc h THR 30 CO 0.00 0.28 0.27 0.15 0.37 0.00 0.00 175.52 176.60 1itc h PHE 31 N 0.56 0.52 -0.48 3.16 3.57 -1.11 0.12 116.94 123.27 1itc h PHE 31 Ca 0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1itc h PHE 31 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1itc h PHE 31 CO 0.01 0.33 0.19 0.93 -2.23 0.00 0.00 178.31 177.54 1itc h GLU 32 N 0.56 0.69 -0.20 1.11 5.08 -1.03 -0.55 114.58 120.23 1itc h GLU 32 Ca 0.15 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1itc h GLU 32 Cb -0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1itc h GLU 32 CO -0.03 0.57 -0.53 -0.91 -1.00 0.00 0.00 179.01 177.12 1itc h ASN 33 N 0.69 0.64 -0.86 1.42 2.35 -1.01 -2.31 115.58 116.50 1itc h ASN 33 Ca 0.17 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1itc h ASN 33 Cb 0.15 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1itc h ASN 33 CO -0.02 1.05 0.45 0.44 -1.65 0.00 0.00 177.43 177.71 1itc h ASP 34 N 0.45 1.09 -0.57 5.81 3.32 0.11 -1.00 116.42 125.63 1itc h ASP 34 Ca 0.01 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1itc h ASP 34 Cb 1.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1itc h ASP 34 CO 0.10 0.89 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.41 1itc h LEU 35 N 1.21 1.02 -1.04 1.55 3.38 -0.92 0.16 115.31 120.66 1itc h LEU 35 Ca 0.30 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1itc h LEU 35 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1itc h LEU 35 CO -0.05 1.10 -0.14 0.03 0.09 0.00 0.00 178.44 179.47 1itc h ARG 36 N 0.92 0.52 -0.05 1.13 3.08 -1.02 0.20 114.38 119.17 1itc h ARG 36 Ca 0.16 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1itc h ARG 36 Cb 0.59 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1itc h ARG 36 CO 0.04 0.65 -0.03 2.35 -1.07 0.00 0.00 179.97 181.91 1itc h TRP 37 N 0.48 0.12 -0.53 3.04 -0.00 -0.80 -1.42 115.95 116.84 1itc h TRP 37 Ca 0.09 -0.03 0.07 0.00 -0.00 0.00 0.00 58.89 59.02 1itc h TRP 37 Cb 0.53 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 29.60 1itc h TRP 37 CO 0.02 0.51 0.18 0.00 -0.00 0.00 0.00 178.44 179.15 1itc h ALA 38 N 0.59 0.65 -0.92 2.65 0.00 -0.42 -0.58 119.26 121.22 1itc h ALA 38 Ca 0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1itc h ALA 38 Cb 0.48 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1itc h ALA 38 CO 0.01 -0.21 0.59 -0.22 0.00 0.00 0.00 179.25 179.41 1itc h LYS 39 N 0.36 1.06 0.00 0.00 3.64 -0.86 -0.28 116.57 120.48 1itc h LYS 39 Ca 0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1itc h LYS 39 Cb 0.29 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1itc h LYS 39 CO -0.26 0.70 0.00 0.37 -2.27 0.00 0.00 179.45 177.99 1itc h GLN 40 N 1.09 0.00 -0.57 1.90 4.15 0.01 -2.39 115.11 119.30 1itc h GLN 40 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1itc h GLN 40 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1itc h GLN 40 CO -0.16 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.83 1itc n ASN 41 N -2.64 4.87 0.00 -0.69 3.02 -0.17 -4.94 115.26 114.71 1itc n ASN 41 Ca 0.00 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 1itc n ASN 41 Cb 0.21 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1itc n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1itc n GLY 42 N 0.75 0.71 3.70 7.41 0.00 -0.90 -4.29 105.19 112.58 1itc n GLY 42 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1itc n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1itc s PHE 43 N -2.31 3.57 0.00 1.61 0.08 -0.89 -4.25 117.98 115.79 1itc s PHE 43 Ca 0.00 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.57 1itc s PHE 43 Cb 0.00 -3.05 -0.26 0.00 -0.57 0.00 0.00 43.02 39.15 1itc s PHE 43 CO 0.00 -0.07 0.84 -0.92 -0.10 0.00 0.00 175.22 174.97 1itc h TYR 44 N 6.93 0.30 -2.95 0.36 3.20 -0.81 -3.36 116.97 120.64 1itc h TYR 44 Ca -0.37 -0.22 0.08 0.00 3.14 0.00 0.00 58.73 61.36 1itc h TYR 44 Cb 1.19 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 1itc h TYR 44 CO 0.69 1.28 0.25 0.00 -1.64 0.00 0.00 178.16 178.73 1itc s ALA 45 N -2.62 -1.26 -0.12 1.82 0.00 -1.25 -4.12 121.76 114.21 1itc s ALA 45 Ca -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1itc s ALA 45 Cb 0.07 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 1itc s ALA 45 CO 0.84 -1.04 -0.19 -1.50 0.00 0.00 0.00 175.76 173.87 1itc s ILE 46 N -3.87 2.46 0.04 0.00 2.07 -0.76 -1.42 121.20 119.72 1itc s ILE 46 Ca 0.11 -0.87 -0.17 0.00 -1.41 0.00 0.00 60.65 58.31 1itc s ILE 46 Cb -0.06 -1.99 -0.06 0.00 0.13 0.00 0.00 42.46 40.48 1itc s ILE 46 CO 0.07 0.54 0.50 0.42 -1.91 0.00 0.00 174.94 174.56 1itc s THR 47 N 0.46 4.87 -0.04 4.00 -4.23 -0.25 -0.37 115.64 120.08 1itc s THR 47 Ca -0.13 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1itc s THR 47 Cb -0.17 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.87 1itc s THR 47 CO 0.06 0.56 0.09 0.54 -0.54 0.00 0.00 174.62 175.32 1itc s VAL 48 N -1.04 -0.02 -0.11 2.29 0.11 -0.70 -0.57 120.40 120.35 1itc s VAL 48 Ca 0.27 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 1itc s VAL 48 Cb -0.18 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 1itc s VAL 48 CO 0.16 0.03 1.04 -1.81 -3.33 0.00 0.00 175.10 171.19 1itc s ASP 49 N 0.46 7.20 -0.38 3.54 1.01 -1.26 -1.22 116.67 126.02 1itc s ASP 49 Ca -0.03 1.55 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 1itc s ASP 49 Cb -0.05 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.43 1itc s ASP 49 CO -0.02 -0.49 0.15 -0.36 0.21 0.00 0.00 175.17 174.66 1itc s PHE 50 N 2.19 3.58 0.16 4.23 0.08 -0.75 -4.95 117.98 122.53 1itc s PHE 50 Ca 0.49 -2.46 -0.30 0.00 0.12 0.00 0.00 56.93 54.77 1itc s PHE 50 Cb -0.19 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.16 1itc s PHE 50 CO 0.17 -0.95 1.27 -1.58 -0.10 0.00 0.00 175.22 174.03 1itc s TRP 51 N 1.11 3.33 0.28 0.36 0.52 -1.26 -2.23 118.94 121.05 1itc s TRP 51 Ca 0.07 1.26 -0.03 0.00 0.02 0.00 0.00 56.10 57.42 1itc s TRP 51 Cb -0.22 -3.53 0.40 0.00 -1.15 0.00 0.00 33.47 28.98 1itc s TRP 51 CO -0.05 -1.65 1.93 2.35 0.02 0.00 0.00 176.95 179.56 1itc h TRP 52 N 5.72 1.13 -0.05 -1.98 7.01 -1.57 0.13 115.95 126.34 1itc h TRP 52 Ca -0.44 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.60 1itc h TRP 52 Cb 1.21 -0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1itc h TRP 52 CO 0.63 0.67 0.07 0.78 -2.79 0.00 0.00 178.44 177.80 1itc h GLY 53 N 1.18 0.00 0.73 2.65 0.00 -1.83 -1.66 103.07 104.14 1itc h GLY 53 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.36 1itc h GLY 53 CO -0.10 0.00 -1.90 1.22 0.00 0.00 0.00 176.54 175.76 1itc n ASP 54 N -3.64 1.17 0.14 0.19 8.00 0.32 -3.85 116.55 118.88 1itc n ASP 54 Ca -0.02 0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.89 1itc n ASP 54 Cb 0.15 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 1itc n ASP 54 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1itc h MET 55 N 0.02 0.00 -0.54 -1.24 2.86 -0.44 -3.40 114.93 112.19 1itc h MET 55 Ca -0.37 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.00 1itc h MET 55 Cb 2.04 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 33.36 1itc h MET 55 CO 0.07 0.00 -0.95 -1.91 1.06 0.00 0.00 176.91 175.18 1itc n GLU 56 N -2.78 1.39 0.33 1.72 2.13 -0.70 -0.71 120.64 122.02 1itc n GLU 56 Ca 0.01 -2.92 -0.15 0.00 0.66 0.00 0.00 57.16 54.77 1itc n GLU 56 Cb 0.54 -1.02 -0.08 0.00 0.27 0.00 0.00 31.44 31.15 1itc n GLU 56 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1itc h LYS 57 N 2.49 -0.82 -0.09 5.31 3.64 -1.73 -3.34 116.57 122.03 1itc h LYS 57 Ca -0.18 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1itc h LYS 57 Cb 1.24 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1itc h LYS 57 CO 0.23 -0.50 0.17 -0.91 -2.27 0.00 0.00 179.45 176.16 1itc h ASN 58 N -1.11 0.00 0.00 4.20 2.35 -1.91 -3.44 115.58 115.67 1itc h ASN 58 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1itc h ASN 58 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1itc h ASN 58 CO 0.14 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.53 1itc n GLY 59 N -1.29 0.29 3.69 2.83 0.00 -1.25 -5.01 105.19 104.45 1itc n GLY 59 Ca -0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1itc n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1itc s ASP 60 N 0.00 6.49 -0.28 1.61 2.15 -1.26 -2.03 116.67 123.35 1itc s ASP 60 Ca 0.00 2.67 0.00 0.00 0.43 0.00 0.00 52.55 55.65 1itc s ASP 60 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1itc s ASP 60 CO 0.00 -0.95 0.00 0.00 -0.17 0.00 0.00 175.17 174.05 1itc n GLN 61 N 5.38 -1.00 -3.35 4.34 1.13 -1.26 -4.95 117.38 117.68 1itc n GLN 61 Ca 0.17 0.42 -0.46 0.00 -1.94 0.00 0.00 57.00 55.18 1itc n GLN 61 Cb 0.39 -4.26 -0.03 0.00 0.11 0.00 0.00 30.24 26.45 1itc n GLN 61 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1itc s GLN 62 N -1.52 3.52 0.26 -1.09 -0.21 -0.86 -5.04 119.66 114.72 1itc s GLN 62 Ca 0.00 -2.43 -0.05 0.00 0.02 0.00 0.00 55.36 52.90 1itc s GLN 62 Cb 0.00 -4.38 -0.05 0.00 1.00 0.00 0.00 33.01 29.57 1itc s GLN 62 CO 0.00 -1.29 0.52 -0.06 -2.12 0.00 0.00 175.29 172.35 1itc s PHE 63 N 0.22 3.47 -0.26 0.91 0.08 -1.26 -4.22 117.98 116.93 1itc s PHE 63 Ca 0.17 0.65 -0.03 0.00 0.12 0.00 0.00 56.93 57.84 1itc s PHE 63 Cb -0.12 -2.10 0.10 0.00 -0.57 0.00 0.00 43.02 40.33 1itc s PHE 63 CO -0.08 0.23 0.19 0.34 -0.10 0.00 0.00 175.22 175.80 1itc s ASP 64 N -2.96 2.38 -0.14 1.36 2.15 0.11 -4.98 116.67 114.59 1itc s ASP 64 Ca 0.44 -0.82 0.15 0.00 0.43 0.00 0.00 52.55 52.76 1itc s ASP 64 Cb -0.11 0.07 0.47 0.00 -0.30 0.00 0.00 42.92 43.05 1itc s ASP 64 CO 0.28 -0.39 1.38 0.49 -0.17 0.00 0.00 175.17 176.76 1itc n PHE 65 N 5.29 0.82 -0.31 -5.34 3.72 -1.26 -4.23 117.46 116.14 1itc n PHE 65 Ca -0.05 -0.79 -0.02 0.00 -0.05 0.00 0.00 57.45 56.54 1itc n PHE 65 Cb 0.46 -0.25 0.10 0.00 -0.94 0.00 0.00 39.48 38.85 1itc n PHE 65 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1itc h SER 66 N 1.82 0.93 -0.12 4.37 4.64 -1.96 -0.63 113.55 122.60 1itc h SER 66 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1itc h SER 66 Cb 1.28 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1itc h SER 66 CO 0.17 0.65 0.00 0.22 -0.87 0.00 0.00 176.83 177.00 1itc h TYR 67 N 1.10 0.23 -0.87 4.77 3.20 -1.98 -1.29 116.97 122.13 1itc h TYR 67 Ca 0.33 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.25 1itc h TYR 67 Cb -0.03 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 1itc h TYR 67 CO -0.02 0.45 0.52 0.00 -1.64 0.00 0.00 178.16 177.47 1itc h ALA 68 N 0.75 1.24 -0.52 1.82 0.00 -1.84 0.26 119.26 120.97 1itc h ALA 68 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1itc h ALA 68 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1itc h ALA 68 CO 0.01 0.17 0.05 1.96 0.00 0.00 0.00 179.25 181.44 1itc h GLN 69 N 0.88 0.89 -0.60 0.00 4.20 -0.93 -1.18 115.11 118.36 1itc h GLN 69 Ca 0.41 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1itc h GLN 69 Cb 0.33 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1itc h GLN 69 CO -0.23 0.89 0.03 -0.09 -0.67 0.00 0.00 178.83 178.76 1itc h ARG 70 N 0.77 1.05 -0.26 1.46 9.65 -0.32 -1.13 114.38 125.59 1itc h ARG 70 Ca 0.15 -0.32 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1itc h ARG 70 Cb 0.46 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1itc h ARG 70 CO 0.02 1.01 0.15 0.35 2.80 0.00 0.00 179.97 184.30 1itc h PHE 71 N 0.95 0.36 -0.87 2.20 3.04 -0.85 -2.52 116.94 119.24 1itc h PHE 71 Ca 0.18 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1itc h PHE 71 Cb 0.52 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1itc h PHE 71 CO 0.04 0.30 0.55 0.00 -2.02 0.00 0.00 178.31 177.17 1itc h ALA 72 N 1.03 1.33 -0.66 2.41 0.00 -0.99 -1.97 119.26 120.40 1itc h ALA 72 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1itc h ALA 72 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1itc h ALA 72 CO -0.02 0.60 0.40 0.37 0.00 0.00 0.00 179.25 180.60 1itc h GLN 73 N 1.19 0.90 -0.17 0.00 5.75 -0.80 -0.51 115.11 121.48 1itc h GLN 73 Ca 0.32 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.59 1itc h GLN 73 Cb -0.09 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.26 1itc h GLN 73 CO -0.06 0.65 -0.50 0.77 -2.65 0.00 0.00 178.83 177.03 1itc h SER 74 N 0.90 0.49 -0.76 -0.69 0.02 -1.15 0.34 113.55 112.71 1itc h SER 74 Ca 0.24 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1itc h SER 74 Cb -0.02 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1itc h SER 74 CO -0.04 0.91 0.40 0.58 -1.14 0.00 0.00 176.83 177.53 1itc h VAL 75 N 0.35 1.23 -0.19 2.27 2.07 -0.97 -0.60 116.25 120.41 1itc h VAL 75 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1itc h VAL 75 Cb 1.00 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1itc h VAL 75 CO 0.09 0.26 0.09 0.50 0.02 0.00 0.00 177.57 178.53 1itc h LYS 76 N 1.05 0.28 -0.55 1.57 3.64 -0.75 -0.91 116.57 120.91 1itc h LYS 76 Ca 0.26 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1itc h LYS 76 Cb 0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1itc h LYS 76 CO -0.04 0.33 0.37 -0.91 -2.27 0.00 0.00 179.45 176.92 1itc h ASN 77 N 0.18 0.42 -0.14 4.20 2.35 -0.33 -0.91 115.58 121.34 1itc h ASN 77 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1itc h ASN 77 Cb 0.14 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1itc h ASN 77 CO -0.01 0.27 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 1itc n ALA 78 N -2.50 2.53 -2.96 -0.83 0.00 -0.29 -4.91 120.51 111.55 1itc n ALA 78 Ca 0.08 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1itc n ALA 78 Cb 0.27 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.63 1itc n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itc n GLY 79 N 1.06 -0.52 3.90 0.00 0.00 -0.35 -4.68 105.19 104.60 1itc n GLY 79 Ca 0.15 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 1itc n GLY 79 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1itc s MET 80 N -5.64 2.25 0.15 1.61 0.00 -0.38 -5.04 119.30 112.24 1itc s MET 80 Ca 0.28 -2.04 0.10 0.00 0.00 0.00 0.00 55.69 54.02 1itc s MET 80 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 34.83 32.58 1itc s MET 80 CO 0.34 -0.63 -0.22 0.15 0.00 0.00 0.00 175.02 174.66 1itc s LYS 81 N -4.29 1.32 0.13 4.11 -0.14 -1.26 -4.57 119.74 115.04 1itc s LYS 81 Ca 0.33 -1.37 0.04 0.00 -1.36 0.00 0.00 55.97 53.62 1itc s LYS 81 Cb -0.02 -1.56 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1itc s LYS 81 CO 0.21 0.34 -0.11 0.00 -0.76 0.00 0.00 175.35 175.03 1itc s MET 82 N -2.42 1.00 -0.33 1.68 0.23 0.58 -1.82 119.30 118.21 1itc s MET 82 Ca 0.14 -1.35 0.01 0.00 -1.03 0.00 0.00 55.69 53.47 1itc s MET 82 Cb -0.08 -0.63 0.10 0.00 -1.53 0.00 0.00 34.83 32.69 1itc s MET 82 CO 0.07 0.09 0.10 0.42 -2.03 0.00 0.00 175.02 173.66 1itc s ILE 83 N -2.95 1.39 0.36 3.16 1.01 0.50 -1.54 121.20 123.13 1itc s ILE 83 Ca 0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.67 1itc s ILE 83 Cb 0.00 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1itc s ILE 83 CO 0.01 -0.67 1.31 -2.84 0.00 0.00 0.00 174.94 172.74 1itc s PRO 84 N 1.26 4.22 -0.22 2.79 0.02 -1.20 -1.72 135.00 140.15 1itc s PRO 84 Ca 0.11 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1itc s PRO 84 Cb -0.18 -2.96 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1itc s PRO 84 CO -0.17 -0.29 -0.14 0.42 -0.33 0.00 0.00 177.00 176.49 1itc s ILE 85 N -1.19 2.29 -1.06 2.83 1.01 -0.36 -0.22 121.20 124.50 1itc s ILE 85 Ca 0.52 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 1itc s ILE 85 Cb -0.39 -2.14 0.08 0.00 0.01 0.00 0.00 42.46 40.02 1itc s ILE 85 CO 0.52 0.28 1.43 -0.63 0.00 0.00 0.00 174.94 176.53 1itc s ILE 86 N 1.24 4.22 -1.02 2.92 -1.09 -0.63 -1.81 121.20 125.03 1itc s ILE 86 Ca -0.01 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 56.90 1itc s ILE 86 Cb -0.16 -5.01 0.02 0.00 -1.58 0.00 0.00 42.46 35.73 1itc s ILE 86 CO -0.08 -1.84 1.64 -0.44 -1.23 0.00 0.00 174.94 172.99 1itc s SER 87 N 4.39 6.08 -0.08 3.58 0.01 -0.95 -3.44 113.70 123.30 1itc s SER 87 Ca 0.44 -1.35 0.02 0.00 1.31 0.00 0.00 55.95 56.37 1itc s SER 87 Cb -0.01 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.83 1itc s SER 87 CO -0.06 -1.90 0.98 0.35 0.41 0.00 0.00 173.24 173.02 1itc n THR 88 N 7.16 1.02 -4.39 1.44 -2.24 -1.26 -1.57 114.28 114.45 1itc n THR 88 Ca 0.37 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.59 1itc n THR 88 Cb 0.49 -0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1itc n THR 88 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1itc s HIS 89 N -1.10 1.82 0.22 4.78 -3.43 -1.26 -4.62 115.29 111.70 1itc s HIS 89 Ca 0.13 -0.69 -0.30 0.00 -0.80 0.00 0.00 55.06 53.39 1itc s HIS 89 Cb 0.10 -0.99 -0.08 0.00 -1.43 0.00 0.00 32.58 30.17 1itc s HIS 89 CO 0.03 0.26 1.03 -1.14 -2.00 0.00 0.00 174.74 172.92 1itc s GLN 90 N -3.72 4.71 -0.15 -0.38 0.74 -0.44 -4.71 119.66 115.71 1itc s GLN 90 Ca 0.27 1.64 -0.18 0.00 0.05 0.00 0.00 55.36 57.14 1itc s GLN 90 Cb 0.03 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 1itc s GLN 90 CO 0.10 0.28 0.49 0.00 -0.55 0.00 0.00 175.29 175.61 1itc n GLY 92 N 3.49 3.56 1.29 0.00 0.00 -1.24 -1.33 105.19 110.95 1itc n GLY 92 Ca -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1itc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itc n GLY 93 N -0.21 3.06 3.80 -0.02 0.00 -1.26 -5.02 105.19 105.53 1itc n GLY 93 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1itc n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itc s ASN 94 N -1.20 5.44 0.00 1.61 0.01 -1.26 -4.89 114.94 114.65 1itc s ASN 94 Ca 0.00 -0.23 -0.38 0.00 -0.71 0.00 0.00 52.86 51.53 1itc s ASN 94 Cb 0.00 -1.37 -0.18 0.00 0.41 0.00 0.00 41.25 40.11 1itc s ASN 94 CO 0.00 0.01 1.31 0.55 -1.51 0.00 0.00 177.10 177.46 1itc n VAL 95 N -0.80 0.03 0.00 1.60 3.14 -1.26 -1.13 118.33 119.90 1itc n VAL 95 Ca -0.08 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1itc n VAL 95 Cb 0.57 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1itc n VAL 95 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1itc n GLY 96 N 2.44 2.91 3.77 7.55 0.00 -1.26 -5.01 105.19 115.59 1itc n GLY 96 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1itc n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1itc s ASP 97 N -2.67 6.17 0.00 1.61 -0.00 -0.29 -4.94 116.67 116.56 1itc s ASP 97 Ca 0.00 2.60 0.00 0.00 -0.00 0.00 0.00 52.55 55.15 1itc s ASP 97 Cb 0.00 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 1itc s ASP 97 CO 0.00 -0.94 0.22 -0.90 -0.00 0.00 0.00 175.17 173.55 1itc n ASP 98 N -0.11 0.32 -3.56 0.27 3.85 -1.26 -4.82 116.55 111.23 1itc n ASP 98 Ca 0.05 -1.05 -0.14 0.00 -0.71 0.00 0.00 54.79 52.94 1itc n ASP 98 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 1itc n ASP 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1itc s ASN 100 N -2.79 0.43 -0.53 0.00 3.84 -1.23 -3.63 114.94 111.03 1itc s ASN 100 Ca 0.18 -2.27 0.04 0.00 0.21 0.00 0.00 52.86 51.03 1itc s ASN 100 Cb -0.01 0.56 0.13 0.00 -0.55 0.00 0.00 41.25 41.38 1itc s ASN 100 CO 0.12 -0.15 0.28 -0.69 -2.79 0.00 0.00 177.10 173.86 1itc s VAL 101 N 0.67 2.53 0.74 -5.21 1.01 -0.44 -4.96 120.40 114.74 1itc s VAL 101 Ca 0.28 -3.37 -0.12 0.00 0.00 0.00 0.00 61.98 58.78 1itc s VAL 101 Cb -0.02 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1itc s VAL 101 CO -0.11 -0.83 1.09 -2.84 0.00 0.00 0.00 175.10 172.42 1itc s PRO 102 N -0.37 2.43 0.76 2.72 0.02 -1.26 -1.39 135.00 137.91 1itc s PRO 102 Ca 0.18 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.28 1itc s PRO 102 Cb -0.24 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.42 1itc s PRO 102 CO -0.02 -1.51 1.11 0.96 -0.33 0.00 0.00 177.00 177.21 1itc s ILE 103 N -2.79 3.11 -0.36 2.83 -4.36 -1.26 -3.88 121.20 114.49 1itc s ILE 103 Ca 0.62 0.40 -0.44 0.00 -0.26 0.00 0.00 60.65 60.98 1itc s ILE 103 Cb -0.18 -2.85 -0.18 0.00 1.25 0.00 0.00 42.46 40.50 1itc s ILE 103 CO 0.53 -0.43 1.62 -2.65 0.24 0.00 0.00 174.94 174.24 1itc n PRO 104 N -3.30 0.49 0.27 0.37 -0.02 -1.26 -4.83 135.00 126.72 1itc n PRO 104 Ca 0.10 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1itc n PRO 104 Cb 0.52 -1.76 0.73 0.00 -0.02 0.00 0.00 33.50 32.98 1itc n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1itc h SER 105 N 5.73 0.00 0.41 2.55 4.64 -1.87 -2.24 113.55 122.76 1itc h SER 105 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1itc h SER 105 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1itc h SER 105 CO 0.95 0.01 -0.04 4.11 -0.87 0.00 0.00 176.83 180.98 1itc h TRP 106 N 0.00 0.00 -0.20 4.77 5.08 -1.88 -2.97 115.95 120.75 1itc h TRP 106 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1itc h TRP 106 Cb 0.02 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.17 1itc h TRP 106 CO 0.00 0.04 0.08 -0.24 -1.28 0.00 0.00 178.44 177.04 1itc h VAL 107 N 0.00 1.09 0.00 0.12 3.04 -1.77 -2.22 116.25 116.51 1itc h VAL 107 Ca -0.00 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1itc h VAL 107 Cb 0.26 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1itc h VAL 107 CO 0.01 0.10 -0.04 -0.50 -1.01 0.00 0.00 177.57 176.12 1itc h TRP 108 N 0.28 0.00 -0.11 3.17 4.06 -1.73 -2.64 115.95 118.98 1itc h TRP 108 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1itc h TRP 108 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1itc h TRP 108 CO 0.00 0.04 0.00 0.09 -3.56 0.00 0.00 178.44 175.01 1itc n ASN 109 N -3.26 1.55 0.00 -3.49 5.03 -0.83 -3.95 115.26 110.32 1itc n ASN 109 Ca -0.01 -1.62 0.13 0.00 0.87 0.00 0.00 54.58 53.95 1itc n ASN 109 Cb 0.22 -0.06 0.77 0.00 -1.02 0.00 0.00 39.78 39.69 1itc n ASN 109 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1itc n GLN 110 N 0.23 0.80 -3.71 3.52 1.13 -1.00 -4.75 117.38 113.61 1itc n GLN 110 Ca 0.17 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.10 1itc n GLN 110 Cb 0.33 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.09 1itc n GLN 110 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1itc s LYS 111 N -2.03 0.67 0.00 -1.09 -0.14 -1.25 -5.05 119.74 110.84 1itc s LYS 111 Ca 0.39 0.15 0.20 0.00 -1.36 0.00 0.00 55.97 55.35 1itc s LYS 111 Cb 0.18 0.31 0.02 0.00 -1.68 0.00 0.00 37.83 36.66 1itc s LYS 111 CO 0.31 -0.16 1.01 -1.13 -0.76 0.00 0.00 175.35 174.62 1itc n SER 112 N 1.78 2.00 -0.54 2.83 3.41 -1.26 -4.95 113.62 116.88 1itc n SER 112 Ca -0.18 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1itc n SER 112 Cb 0.56 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1itc n SER 112 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1itc n ASP 113 N 0.14 0.00 -0.68 4.04 3.85 -1.26 -5.03 116.55 117.61 1itc n ASP 113 Ca 0.09 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.22 1itc n ASP 113 Cb 0.43 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.40 1itc n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1itc n ASP 114 N 0.00 2.66 0.24 -1.12 5.68 -1.26 -4.71 116.55 118.04 1itc n ASP 114 Ca 0.00 -3.41 0.10 0.00 -0.50 0.00 0.00 54.79 50.97 1itc n ASP 114 Cb 0.00 -0.54 0.58 0.00 -1.14 0.00 0.00 41.12 40.03 1itc n ASP 114 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1itc h SER 115 N 0.93 0.00 0.69 -1.12 4.64 -1.96 -3.28 113.55 113.45 1itc h SER 115 Ca 0.06 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.18 1itc h SER 115 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1itc h SER 115 CO 0.17 0.20 -0.92 -0.07 -0.87 0.00 0.00 176.83 175.34 1itc h LEU 116 N 0.00 0.19 0.00 5.97 4.07 -1.91 -3.39 115.31 120.24 1itc h LEU 116 Ca -0.00 -0.16 -0.16 0.00 0.08 0.00 0.00 57.88 57.63 1itc h LEU 116 Cb 0.50 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1itc h LEU 116 CO 0.03 1.00 -0.08 0.00 -1.08 0.00 0.00 178.44 178.31 1itc n TYR 117 N -3.59 -1.28 -4.26 1.13 0.18 -1.24 -0.03 117.16 108.08 1itc n TYR 117 Ca -0.03 -0.65 -0.26 0.00 1.88 0.00 0.00 57.90 58.84 1itc n TYR 117 Cb 0.84 -0.13 -0.08 0.00 -0.38 0.00 0.00 39.34 39.59 1itc n TYR 117 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1itc s PHE 118 N -0.75 2.73 -0.10 -3.48 0.08 -0.84 -4.69 117.98 110.94 1itc s PHE 118 Ca 0.09 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 1itc s PHE 118 Cb -0.01 -1.30 0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1itc s PHE 118 CO 0.06 0.54 0.21 0.21 -0.10 0.00 0.00 175.22 176.13 1itc s LYS 119 N -3.06 0.13 0.87 0.44 2.20 -1.26 -1.58 119.74 117.48 1itc s LYS 119 Ca 0.27 0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 56.31 1itc s LYS 119 Cb -0.08 -0.15 0.14 0.00 -1.51 0.00 0.00 37.83 36.23 1itc s LYS 119 CO 0.18 -0.23 1.23 -1.54 -0.36 0.00 0.00 175.35 174.63 1itc s SER 120 N 1.76 3.81 0.43 1.43 1.04 -0.42 -1.38 113.70 120.37 1itc s SER 120 Ca -0.04 0.42 0.23 0.00 0.48 0.00 0.00 55.95 57.03 1itc s SER 120 Cb -0.11 -0.68 1.21 0.00 0.10 0.00 0.00 66.02 66.53 1itc s SER 120 CO -0.07 -2.30 1.79 -0.33 0.98 0.00 0.00 173.24 173.30 1itc h GLU 121 N -1.28 0.29 -0.66 4.02 5.08 -1.80 0.18 114.58 120.40 1itc h GLU 121 Ca -0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1itc h GLU 121 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1itc h GLU 121 CO 0.50 0.19 0.00 0.25 -1.00 0.00 0.00 179.01 178.95 1itc n THR 122 N -4.52 1.23 -0.44 1.13 -2.24 -1.26 -4.96 114.28 103.22 1itc n THR 122 Ca 0.25 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1itc n THR 122 Cb 0.94 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1itc n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itc n GLY 123 N 1.34 0.73 3.68 3.38 0.00 0.62 -5.04 105.19 109.90 1itc n GLY 123 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1itc n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itc s THR 124 N -2.64 3.58 0.02 2.61 2.01 -1.26 -4.63 115.64 115.33 1itc s THR 124 Ca 0.00 0.90 -0.23 0.00 0.31 0.00 0.00 61.69 62.67 1itc s THR 124 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1itc s THR 124 CO 0.00 -0.03 0.68 -0.69 -0.69 0.00 0.00 174.62 173.90 1itc s VAL 125 N 2.94 4.81 -0.08 3.82 1.01 -1.26 -1.30 120.40 130.34 1itc s VAL 125 Ca 0.68 1.45 0.03 0.00 0.00 0.00 0.00 61.98 64.13 1itc s VAL 125 Cb -0.33 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1itc s VAL 125 CO 0.28 0.39 -0.16 0.21 0.00 0.00 0.00 175.10 175.82 1itc s ASN 126 N -0.12 2.22 -0.18 3.32 3.84 -0.61 -4.99 114.94 118.42 1itc s ASN 126 Ca 0.35 -0.39 0.15 0.00 0.21 0.00 0.00 52.86 53.18 1itc s ASN 126 Cb -0.19 -1.02 0.44 0.00 -0.55 0.00 0.00 41.25 39.93 1itc s ASN 126 CO 0.20 0.06 1.19 0.29 -2.79 0.00 0.00 177.10 176.06 1itc n LYS 127 N 3.79 1.55 0.20 0.43 5.02 -1.26 -1.98 118.16 125.91 1itc n LYS 127 Ca -0.21 -3.15 0.07 0.00 -2.02 0.00 0.00 58.31 53.00 1itc n LYS 127 Cb 0.52 -1.33 0.35 0.00 -0.02 0.00 0.00 35.03 34.55 1itc n LYS 127 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1itc h GLU 128 N 1.35 0.00 -3.06 1.97 5.08 -1.98 -3.45 114.58 114.49 1itc h GLU 128 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1itc h GLU 128 Cb 1.34 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.47 1itc h GLU 128 CO 0.17 0.33 0.17 -0.08 -1.00 0.00 0.00 179.01 178.60 1itc s THR 129 N -3.56 0.01 0.33 1.13 -1.32 -1.26 -1.33 115.64 109.63 1itc s THR 129 Ca 0.01 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.08 1itc s THR 129 Cb 0.10 -1.06 -0.10 0.00 -1.51 0.00 0.00 72.50 69.93 1itc s THR 129 CO 0.67 -0.05 1.20 -0.76 -2.21 0.00 0.00 174.62 173.48 1itc s LEU 130 N -2.76 4.41 -0.03 9.08 1.43 -1.26 -4.82 118.68 124.73 1itc s LEU 130 Ca 0.02 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 1itc s LEU 130 Cb -0.01 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1itc s LEU 130 CO -0.12 -0.43 1.61 0.21 0.23 0.00 0.00 176.35 177.85 1itc s ASN 131 N -0.80 6.69 0.59 2.29 3.84 0.95 -4.88 114.94 123.63 1itc s ASN 131 Ca 0.49 2.25 0.30 0.00 0.21 0.00 0.00 52.86 56.11 1itc s ASN 131 Cb -0.35 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.44 1itc s ASN 131 CO 0.45 -0.89 1.90 1.55 -2.79 0.00 0.00 177.10 177.32 1itc h PRO 132 N 9.05 0.00 0.00 0.43 0.13 -1.91 -0.93 132.00 138.78 1itc h PRO 132 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1itc h PRO 132 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1itc h PRO 132 CO 0.94 0.00 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.45 1itc h LEU 133 N 0.00 0.00 -5.39 1.56 3.38 -1.89 -3.22 115.31 109.75 1itc h LEU 133 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1itc h LEU 133 Cb 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1itc h LEU 133 CO 0.00 0.20 3.12 0.00 0.09 0.00 0.00 178.44 181.85 1itc n ALA 134 N -2.41 7.06 0.27 1.53 0.00 -0.35 -4.73 120.51 121.88 1itc n ALA 134 Ca -0.02 -3.82 0.15 0.00 0.00 0.00 0.00 53.44 49.75 1itc n ALA 134 Cb 0.28 -3.10 0.87 0.00 0.00 0.00 0.00 19.45 17.49 1itc n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1itc h SER 135 N 4.90 0.00 -0.22 0.00 4.64 -1.81 -2.31 113.55 118.76 1itc h SER 135 Ca 0.77 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 62.02 1itc h SER 135 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1itc h SER 135 CO 1.65 0.00 -0.13 -2.24 -0.87 0.00 0.00 176.83 175.25 1itc h ASP 136 N 0.00 0.49 -0.41 4.97 2.03 -1.93 -0.29 116.42 121.29 1itc h ASP 136 Ca 0.03 -0.43 -0.11 0.00 -0.73 0.00 0.00 57.03 55.79 1itc h ASP 136 Cb 0.15 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1itc h ASP 136 CO -0.00 0.81 -0.19 0.58 -1.03 0.00 0.00 179.24 179.41 1itc h VAL 137 N 0.17 1.28 -0.04 4.15 2.07 -1.86 -2.64 116.25 119.38 1itc h VAL 137 Ca 0.05 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1itc h VAL 137 Cb 0.63 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1itc h VAL 137 CO 0.04 0.44 0.01 0.40 0.02 0.00 0.00 177.57 178.48 1itc h ILE 138 N 0.66 0.99 -0.53 4.57 2.04 -1.41 0.19 117.51 124.02 1itc h ILE 138 Ca 0.09 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1itc h ILE 138 Cb 0.74 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1itc h ILE 138 CO 0.06 0.01 0.11 -0.09 0.00 0.00 0.00 178.15 178.24 1itc h ARG 139 N 0.03 0.25 0.23 2.37 2.43 -0.99 0.17 114.38 118.86 1itc h ARG 139 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1itc h ARG 139 Cb 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1itc h ARG 139 CO -0.02 0.16 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.28 1itc h LYS 140 N 0.25 -0.29 -0.04 0.20 3.64 -1.18 -2.04 116.57 117.11 1itc h LYS 140 Ca 0.27 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1itc h LYS 140 Cb 0.37 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1itc h LYS 140 CO -0.34 0.08 0.01 0.93 -2.27 0.00 0.00 179.45 177.86 1itc h GLU 141 N -0.80 0.06 -0.39 1.90 4.39 -0.50 -0.51 114.58 118.73 1itc h GLU 141 Ca -0.03 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1itc h GLU 141 Cb 0.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1itc h GLU 141 CO 0.05 0.27 -0.04 1.88 -1.16 0.00 0.00 179.01 180.01 1itc h TYR 142 N -0.16 0.79 -0.53 4.33 -1.99 -0.82 -1.06 116.97 117.53 1itc h TYR 142 Ca 0.01 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.63 1itc h TYR 142 Cb 0.23 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.72 1itc h TYR 142 CO 0.00 0.82 0.29 0.78 -0.00 0.00 0.00 178.16 180.05 1itc h GLY 143 N 0.53 0.75 1.07 3.88 0.00 -1.33 0.93 103.07 108.90 1itc h GLY 143 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1itc h GLY 143 CO 0.03 0.14 -0.13 0.83 0.00 0.00 0.00 176.54 177.41 1itc h GLU 144 N 0.56 0.96 -0.06 4.80 5.08 -0.97 -2.08 114.58 122.87 1itc h GLU 144 Ca 0.23 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1itc h GLU 144 Cb 0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1itc h GLU 144 CO -0.14 1.04 0.01 1.25 -1.00 0.00 0.00 179.01 180.16 1itc h LEU 145 N 0.82 0.09 -0.42 1.33 5.85 -0.79 -1.85 115.31 120.34 1itc h LEU 145 Ca 0.12 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1itc h LEU 145 Cb 0.69 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1itc h LEU 145 CO 0.05 0.35 0.22 1.88 -0.34 0.00 0.00 178.44 180.60 1itc h TYR 146 N -0.17 0.40 -0.36 1.25 0.05 -0.83 -0.71 116.97 116.61 1itc h TYR 146 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1itc h TYR 146 Cb 0.30 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 1itc h TYR 146 CO 0.02 0.22 0.21 1.15 -1.05 0.00 0.00 178.16 178.71 1itc h THR 147 N 0.44 1.13 -0.57 -2.88 2.02 -1.35 -1.44 112.91 110.26 1itc h THR 147 Ca 0.17 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1itc h THR 147 Cb 0.06 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1itc h THR 147 CO -0.11 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.02 1itc h ALA 148 N 1.08 1.12 -0.31 6.16 0.00 -1.10 -2.54 119.26 123.66 1itc h ALA 148 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1itc h ALA 148 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1itc h ALA 148 CO -0.02 0.58 0.11 0.35 0.00 0.00 0.00 179.25 180.27 1itc h PHE 149 N 0.86 0.48 -0.63 0.00 3.57 -0.85 -2.09 116.94 118.28 1itc h PHE 149 Ca 0.18 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1itc h PHE 149 Cb 0.36 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1itc h PHE 149 CO 0.02 0.48 0.34 0.00 -2.23 0.00 0.00 178.31 176.92 1itc h ALA 150 N 0.95 0.84 -0.42 2.41 0.00 -1.01 0.19 119.26 122.21 1itc h ALA 150 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1itc h ALA 150 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1itc h ALA 150 CO -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 1itc h ALA 151 N 1.33 0.58 0.00 0.00 0.00 -1.33 -1.14 119.26 118.71 1itc h ALA 151 Ca 0.28 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1itc h ALA 151 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1itc h ALA 151 CO -0.18 0.50 -0.55 0.00 0.00 0.00 0.00 179.25 179.03 1itc h ALA 152 N 0.84 1.02 -0.29 0.00 0.00 -1.07 -3.22 119.26 116.54 1itc h ALA 152 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1itc h ALA 152 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1itc h ALA 152 CO 0.05 0.68 0.00 -1.33 0.00 0.00 0.00 179.25 178.65 1itc n MET 153 N -3.77 2.28 -0.32 0.00 2.00 0.03 -4.56 117.12 112.77 1itc n MET 153 Ca -0.01 -2.09 0.10 0.00 0.00 0.00 0.00 57.70 55.70 1itc n MET 153 Cb 0.57 -1.45 0.27 0.00 0.00 0.00 0.00 33.22 32.61 1itc n MET 153 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1itc h LYS 154 N 4.06 0.63 -0.00 0.03 3.64 -1.21 0.10 116.57 123.81 1itc h LYS 154 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1itc h LYS 154 Cb 0.91 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1itc h LYS 154 CO 0.00 0.42 0.00 -1.35 -2.27 0.00 0.00 179.45 176.25 1itc h PRO 155 N 0.65 0.00 -0.55 1.90 0.11 -1.84 -1.82 132.00 130.45 1itc h PRO 155 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1itc h PRO 155 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1itc h PRO 155 CO -0.39 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.06 1itc n TYR 156 N -3.16 1.75 -0.29 0.65 4.01 0.02 -4.57 117.16 115.59 1itc n TYR 156 Ca -0.03 -0.72 0.11 0.00 -0.16 0.00 0.00 57.90 57.10 1itc n TYR 156 Cb 0.08 -0.41 0.26 0.00 -0.31 0.00 0.00 39.34 38.96 1itc n TYR 156 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1itc h LYS 157 N 3.70 0.29 -0.04 -0.72 3.64 -1.36 -1.49 116.57 120.59 1itc h LYS 157 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1itc h LYS 157 Cb 1.76 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1itc h LYS 157 CO 0.38 0.19 0.05 0.38 -2.27 0.00 0.00 179.45 178.18 1itc h ASP 158 N 0.30 0.00 -0.06 4.20 2.03 -1.85 -2.79 116.42 118.25 1itc h ASP 158 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1itc h ASP 158 Cb 0.96 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1itc h ASP 158 CO -0.57 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 178.97 1itc n VAL 159 N -3.72 0.09 -3.23 4.15 0.24 -0.57 -4.90 118.33 110.39 1itc n VAL 159 Ca -0.02 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 1itc n VAL 159 Cb 0.14 1.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.66 1itc n VAL 159 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1itc s ILE 160 N -1.20 4.98 -0.08 1.34 1.01 -1.06 -0.31 121.20 125.89 1itc s ILE 160 Ca 0.18 0.11 0.14 0.00 0.00 0.00 0.00 60.65 61.08 1itc s ILE 160 Cb 0.13 -4.05 -0.16 0.00 0.01 0.00 0.00 42.46 38.39 1itc s ILE 160 CO 0.19 -0.37 0.86 0.00 0.00 0.00 0.00 174.94 175.62 1itc h ALA 161 N 8.64 0.67 -2.25 9.38 0.00 -1.59 -3.48 119.26 130.63 1itc h ALA 161 Ca -0.27 -1.04 0.12 0.00 0.00 0.00 0.00 54.91 53.72 1itc h ALA 161 Cb 1.11 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 1itc h ALA 161 CO 0.81 1.16 0.51 0.21 0.00 0.00 0.00 179.25 181.93 1itc s LYS 162 N -2.79 0.83 -0.07 0.00 2.20 -1.26 -4.33 119.74 114.32 1itc s LYS 162 Ca -0.03 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1itc s LYS 162 Cb 0.08 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1itc s LYS 162 CO 0.81 -0.37 -0.16 0.42 -0.36 0.00 0.00 175.35 175.70 1itc s ILE 163 N -3.11 1.39 -0.08 5.43 1.01 -0.70 -3.24 121.20 121.91 1itc s ILE 163 Ca 0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1itc s ILE 163 Cb -0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1itc s ILE 163 CO -0.08 0.41 0.08 -0.31 0.00 0.00 0.00 174.94 175.04 1itc s TYR 164 N 0.53 3.37 0.21 3.97 2.02 0.69 -1.55 117.35 126.58 1itc s TYR 164 Ca -0.15 0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 1itc s TYR 164 Cb -0.16 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1itc s TYR 164 CO 0.05 0.60 0.05 -0.51 -1.57 0.00 0.00 175.55 174.16 1itc s LEU 165 N -1.16 3.42 -0.31 -1.29 1.43 -0.01 -1.60 118.68 119.15 1itc s LEU 165 Ca 0.17 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1itc s LEU 165 Cb -0.12 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1itc s LEU 165 CO 0.06 0.04 0.10 -0.55 0.23 0.00 0.00 176.35 176.23 1itc s SER 166 N -3.31 5.24 0.00 2.29 0.15 -1.22 -4.38 113.70 112.47 1itc s SER 166 Ca 0.30 -0.85 0.22 0.00 0.70 0.00 0.00 55.95 56.31 1itc s SER 166 Cb -0.08 -1.89 0.60 0.00 -1.71 0.00 0.00 66.02 62.94 1itc s SER 166 CO 0.21 -0.25 1.48 0.61 1.20 0.00 0.00 173.24 176.49 1itc n GLY 167 N 4.86 0.84 0.00 9.45 0.00 -1.26 -4.73 105.19 114.35 1itc n GLY 167 Ca -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1itc n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itc n GLY 168 N 1.27 -0.58 3.71 -0.02 0.00 -0.46 -4.02 105.19 105.09 1itc n GLY 168 Ca 0.17 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1itc n GLY 168 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1itc n PRO 169 N 0.00 2.07 -2.87 1.61 -0.04 -1.23 -2.30 135.00 132.25 1itc n PRO 169 Ca 0.00 0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 64.00 1itc n PRO 169 Cb 0.00 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.06 1itc n PRO 169 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1itc n ALA 170 N 0.00 -0.90 -1.11 0.55 0.00 -1.26 -1.89 120.51 115.91 1itc n ALA 170 Ca 0.05 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1itc n ALA 170 Cb 0.39 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 1itc n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itc n GLY 171 N -1.16 0.57 3.42 0.00 0.00 -0.97 -5.01 105.19 102.04 1itc n GLY 171 Ca -0.11 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1itc n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itc s ALA 172 N -1.78 2.49 -0.62 4.61 0.00 -0.79 -4.13 121.76 121.54 1itc s ALA 172 Ca 0.00 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.20 1itc s ALA 172 Cb 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1itc s ALA 172 CO 0.00 0.52 1.77 -1.17 0.00 0.00 0.00 175.76 176.88 1itc s LEU 173 N -2.24 3.28 -0.01 0.00 2.96 0.43 -1.35 118.68 121.75 1itc s LEU 173 Ca 0.17 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1itc s LEU 173 Cb -0.10 -2.58 0.10 0.00 0.50 0.00 0.00 46.19 44.12 1itc s LEU 173 CO 0.08 -2.27 1.28 0.00 -1.32 0.00 0.00 176.35 174.12 1itc s ARG 174 N 6.78 0.43 0.13 1.98 1.70 -1.26 -4.67 118.95 124.05 1itc s ARG 174 Ca 0.63 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1itc s ARG 174 Cb -0.12 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 1itc s ARG 174 CO 0.20 -0.20 0.30 0.71 -1.08 0.00 0.00 175.30 175.23 1itc s TYR 175 N -2.14 3.49 -1.54 5.89 2.02 -0.70 -4.33 117.35 120.05 1itc s TYR 175 Ca 0.25 0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 57.08 1itc s TYR 175 Cb 0.01 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1itc s TYR 175 CO -0.01 0.50 2.59 -0.35 -1.57 0.00 0.00 175.55 176.70 1itc n PRO 176 N -0.27 3.26 0.05 -1.71 -0.04 -1.26 -4.61 135.00 130.43 1itc n PRO 176 Ca -0.05 -2.40 0.13 0.00 -0.04 0.00 0.00 63.50 61.13 1itc n PRO 176 Cb 0.53 -3.05 0.33 0.00 -0.04 0.00 0.00 33.50 31.27 1itc n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1itc n SER 177 N 4.87 0.59 -3.87 3.54 3.41 -1.26 -4.58 113.62 116.31 1itc n SER 177 Ca 0.65 0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 59.23 1itc n SER 177 Cb 0.31 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1itc n SER 177 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1itc s TYR 178 N -3.09 2.80 0.06 7.33 1.13 -1.26 -2.88 117.35 121.43 1itc s TYR 178 Ca 0.10 -2.77 0.02 0.00 -1.41 0.00 0.00 57.07 53.01 1itc s TYR 178 Cb 0.15 -2.45 -0.03 0.00 -1.10 0.00 0.00 41.96 38.52 1itc s TYR 178 CO 0.65 -0.81 -0.07 0.95 -2.51 0.00 0.00 175.55 173.75 1itc s THR 179 N 0.36 0.60 0.11 -3.49 -4.23 -1.24 -4.66 115.64 103.09 1itc s THR 179 Ca 0.15 -1.39 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 1itc s THR 179 Cb -0.23 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.56 1itc s THR 179 CO -0.04 -0.56 1.69 0.74 -0.54 0.00 0.00 174.62 175.91 1itc h THR 180 N 3.95 1.14 0.00 3.99 2.02 -1.90 -0.24 112.91 121.87 1itc h THR 180 Ca -0.36 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1itc h THR 180 Cb 1.19 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1itc h THR 180 CO 0.49 0.14 -0.12 0.77 0.37 0.00 0.00 175.52 177.17 1itc h SER 181 N 0.29 0.00 -0.34 4.18 4.64 -1.99 -1.09 113.55 119.25 1itc h SER 181 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1itc h SER 181 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1itc h SER 181 CO -0.01 0.12 0.00 -0.67 -0.87 0.00 0.00 176.83 175.40 1itc n ASP 182 N -4.12 2.64 -2.41 4.97 2.03 -1.08 -4.93 116.55 113.65 1itc n ASP 182 Ca -0.02 -1.89 -0.19 0.00 0.52 0.00 0.00 54.79 53.20 1itc n ASP 182 Cb 0.20 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 1itc n ASP 182 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1itc n GLY 183 N 1.33 -0.50 0.18 0.27 0.00 -0.41 -4.86 105.19 101.20 1itc n GLY 183 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1itc n GLY 183 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1itc n THR 184 N -3.88 1.92 -1.63 2.61 -2.24 -0.14 -4.94 114.28 105.98 1itc n THR 184 Ca -0.23 -2.43 -0.33 0.00 -2.27 0.00 0.00 64.05 58.80 1itc n THR 184 Cb 0.67 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1itc n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1itc s GLY 185 N -2.92 2.05 0.25 3.38 0.00 -1.12 -3.72 107.32 105.23 1itc s GLY 185 Ca 0.33 0.49 -0.28 0.00 0.00 0.00 0.00 44.72 45.25 1itc s GLY 185 CO 0.01 0.84 0.88 2.98 0.00 0.00 0.00 173.10 177.81 1itc n TYR 186 N -2.68 0.77 -1.42 1.90 4.19 -1.26 -1.49 117.16 117.17 1itc n TYR 186 Ca 0.10 0.78 -0.27 0.00 3.31 0.00 0.00 57.90 61.82 1itc n TYR 186 Cb 0.52 -2.17 0.11 0.00 0.49 0.00 0.00 39.34 38.29 1itc n TYR 186 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1itc n PRO 187 N 0.88 2.60 -1.48 2.98 -0.04 -1.26 -5.13 135.00 133.56 1itc n PRO 187 Ca 0.12 -3.34 -0.30 0.00 -0.04 0.00 0.00 63.50 59.95 1itc n PRO 187 Cb 0.29 -2.20 0.10 0.00 -0.04 0.00 0.00 33.50 31.65 1itc n PRO 187 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1itc s SER 188 N -2.04 4.19 0.64 3.54 0.01 -0.55 -4.72 113.70 114.77 1itc s SER 188 Ca 0.58 1.31 -0.16 0.00 1.31 0.00 0.00 55.95 59.00 1itc s SER 188 Cb 0.48 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 1itc s SER 188 CO 0.03 -2.16 1.13 0.00 0.41 0.00 0.00 173.24 172.64 1itc s ARG 189 N -5.12 2.82 0.59 12.44 1.70 -1.26 -4.79 118.95 125.33 1itc s ARG 189 Ca 0.62 1.49 -0.06 0.00 -0.47 0.00 0.00 55.73 57.31 1itc s ARG 189 Cb -0.15 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.29 1itc s ARG 189 CO 0.55 -1.25 0.90 0.20 -1.08 0.00 0.00 175.30 174.62 1itc s GLY 190 N -2.33 1.61 -0.08 3.88 0.00 -0.57 -4.74 107.32 105.09 1itc s GLY 190 Ca 0.69 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1itc s GLY 190 CO 0.39 -0.41 -0.12 0.54 0.00 0.00 0.00 173.10 173.50 1itc s LYS 191 N -5.00 2.83 0.58 2.90 1.02 -1.14 -4.82 119.74 116.10 1itc s LYS 191 Ca 0.54 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.67 1itc s LYS 191 Cb -0.11 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1itc s LYS 191 CO 0.45 0.51 1.27 -0.06 -0.92 0.00 0.00 175.35 176.60 1itc s PHE 192 N -0.42 2.34 -0.57 3.18 0.40 -1.26 -4.57 117.98 117.08 1itc s PHE 192 Ca 0.05 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 57.89 1itc s PHE 192 Cb -0.12 -3.61 0.39 0.00 0.51 0.00 0.00 43.02 40.18 1itc s PHE 192 CO 0.02 -2.50 1.25 1.04 0.70 0.00 0.00 175.22 175.73 1itc n GLN 193 N -1.38 3.41 -2.50 0.44 1.13 -1.26 -2.45 117.38 114.77 1itc n GLN 193 Ca 0.13 -4.45 -0.14 0.00 -1.94 0.00 0.00 57.00 50.59 1itc n GLN 193 Cb 0.48 -2.26 0.03 0.00 0.11 0.00 0.00 30.24 28.59 1itc n GLN 193 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1itc n ALA 194 N -0.41 3.96 -0.56 -1.58 0.00 -1.19 -4.42 120.51 116.30 1itc n ALA 194 Ca 0.40 -3.45 0.06 0.00 0.00 0.00 0.00 53.44 50.45 1itc n ALA 194 Cb 0.51 -0.67 0.17 0.00 0.00 0.00 0.00 19.45 19.47 1itc n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1itc n TYR 195 N -0.49 0.51 -1.66 0.00 4.01 -0.48 -4.20 117.16 114.85 1itc n TYR 195 Ca 0.24 -0.70 -0.30 0.00 -0.16 0.00 0.00 57.90 56.98 1itc n TYR 195 Cb 0.82 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.77 1itc n TYR 195 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1itc s THR 196 N -1.90 3.42 0.27 -0.72 -4.23 -1.26 -4.88 115.64 106.34 1itc s THR 196 Ca 0.28 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1itc s THR 196 Cb 0.20 -3.29 0.08 0.00 1.34 0.00 0.00 72.50 70.83 1itc s THR 196 CO 0.09 -0.60 1.72 -0.33 -0.54 0.00 0.00 174.62 174.96 1itc h GLU 197 N -0.87 0.57 -0.24 3.99 4.39 -1.94 -2.29 114.58 118.20 1itc h GLU 197 Ca -0.46 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.04 1itc h GLU 197 Cb 1.25 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1itc h GLU 197 CO 0.60 0.74 0.13 0.35 -1.16 0.00 0.00 179.01 179.67 1itc h PHE 198 N 0.51 0.33 -0.48 4.33 3.57 -1.92 -0.53 116.94 122.75 1itc h PHE 198 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1itc h PHE 198 Cb 0.62 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1itc h PHE 198 CO 0.02 0.28 0.30 0.00 -2.23 0.00 0.00 178.31 176.69 1itc h ALA 199 N 1.01 0.61 -0.66 2.41 0.00 -1.83 0.37 119.26 121.18 1itc h ALA 199 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1itc h ALA 199 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1itc h ALA 199 CO -0.01 0.08 0.18 0.87 0.00 0.00 0.00 179.25 180.37 1itc h LYS 200 N 0.65 1.05 -0.59 0.00 1.57 -1.29 -0.72 116.57 117.23 1itc h LYS 200 Ca 0.17 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1itc h LYS 200 Cb -0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1itc h LYS 200 CO -0.04 0.93 0.32 1.03 -0.57 0.00 0.00 179.45 181.12 1itc h SER 201 N 0.98 0.75 -0.59 0.86 0.87 -0.71 -1.62 113.55 114.09 1itc h SER 201 Ca 0.21 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1itc h SER 201 Cb 0.34 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1itc h SER 201 CO -0.00 0.63 0.17 0.11 -0.53 0.00 0.00 176.83 177.22 1itc h LYS 202 N 0.80 0.92 -0.62 2.24 1.79 -0.58 -0.86 116.57 120.26 1itc h LYS 202 Ca 0.21 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1itc h LYS 202 Cb 0.06 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 1itc h LYS 202 CO -0.03 0.83 0.17 0.35 -1.08 0.00 0.00 179.45 179.68 1itc h PHE 203 N 0.83 1.02 -0.23 -1.35 3.57 -0.93 -0.90 116.94 118.96 1itc h PHE 203 Ca 0.19 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1itc h PHE 203 Cb 0.30 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1itc h PHE 203 CO 0.02 0.85 0.15 -0.09 -2.23 0.00 0.00 178.31 177.01 1itc h ARG 204 N 0.90 0.30 -0.71 1.11 2.43 -1.05 -0.73 114.38 116.62 1itc h ARG 204 Ca 0.20 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1itc h ARG 204 Cb 0.33 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1itc h ARG 204 CO -0.00 0.20 0.23 -0.07 -1.51 0.00 0.00 179.97 178.81 1itc h LEU 205 N 0.30 1.04 -0.55 3.80 3.38 -0.99 -1.79 115.31 120.50 1itc h LEU 205 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1itc h LEU 205 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1itc h LEU 205 CO -0.02 0.97 0.25 -0.25 0.09 0.00 0.00 178.44 179.48 1itc h TRP 206 N 1.05 0.80 -0.26 1.13 7.01 -0.87 0.08 115.95 124.89 1itc h TRP 206 Ca 0.23 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1itc h TRP 206 Cb 0.30 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1itc h TRP 206 CO 0.02 0.63 0.08 0.28 -2.79 0.00 0.00 178.44 176.66 1itc h VAL 207 N 0.74 1.20 0.00 2.65 2.07 -0.96 -1.64 116.25 120.31 1itc h VAL 207 Ca 0.19 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1itc h VAL 207 Cb 0.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1itc h VAL 207 CO -0.02 0.21 -0.26 -0.07 0.02 0.00 0.00 177.57 177.45 1itc h LEU 208 N 0.26 0.00 -0.57 2.57 3.38 -1.18 -1.53 115.31 118.25 1itc h LEU 208 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1itc h LEU 208 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1itc h LEU 208 CO -0.00 0.26 -0.45 -1.13 0.09 0.00 0.00 178.44 177.21 1itc h ASN 209 N 0.00 0.68 -0.19 -0.43 -1.24 -0.66 0.38 115.58 114.12 1itc h ASN 209 Ca -0.00 -0.33 -0.08 0.00 0.71 0.00 0.00 56.30 56.60 1itc h ASN 209 Cb 0.51 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1itc h ASN 209 CO 0.03 1.03 -0.20 0.50 -1.29 0.00 0.00 177.43 177.51 1itc h LYS 210 N 0.51 0.47 -0.00 6.67 3.64 -0.44 -3.36 116.57 124.06 1itc h LYS 210 Ca 0.03 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1itc h LYS 210 Cb 0.99 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1itc h LYS 210 CO 0.09 0.83 -0.74 0.66 -2.27 0.00 0.00 179.45 178.02 1itc n TYR 211 N -4.45 0.00 0.00 1.91 4.01 -0.66 -5.03 117.16 112.94 1itc n TYR 211 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1itc n TYR 211 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1itc n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1itc n GLY 212 N 1.38 2.00 3.24 2.72 0.00 0.13 -4.69 105.19 109.96 1itc n GLY 212 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1itc n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itc s SER 213 N 0.00 1.50 0.32 1.61 1.04 -1.26 -4.84 113.70 112.08 1itc s SER 213 Ca 0.00 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.38 1itc s SER 213 Cb 0.00 0.05 0.57 0.00 0.10 0.00 0.00 66.02 66.73 1itc s SER 213 CO 0.00 -0.43 1.94 0.25 0.98 0.00 0.00 173.24 175.98 1itc h LEU 214 N 2.78 0.85 -1.21 2.42 7.12 -1.95 -0.95 115.31 124.36 1itc h LEU 214 Ca -0.36 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.60 1itc h LEU 214 Cb 1.19 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 1itc h LEU 214 CO 0.64 0.57 0.05 -1.13 -0.13 0.00 0.00 178.44 178.43 1itc h ASN 215 N 0.97 0.55 0.38 1.25 -1.24 -1.95 -0.03 115.58 115.51 1itc h ASN 215 Ca 0.34 -0.10 -0.19 0.00 0.71 0.00 0.00 56.30 57.07 1itc h ASN 215 Cb 0.11 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1itc h ASN 215 CO -0.11 0.59 -0.77 -0.33 -1.29 0.00 0.00 177.43 175.52 1itc h GLU 216 N 0.57 0.31 -0.18 6.67 4.39 -1.55 -2.46 114.58 122.33 1itc h GLU 216 Ca 0.13 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1itc h GLU 216 Cb 0.29 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1itc h GLU 216 CO 0.00 0.94 0.10 0.28 -1.16 0.00 0.00 179.01 179.17 1itc h VAL 217 N 0.20 1.11 -0.85 3.13 2.07 -0.39 -1.33 116.25 120.19 1itc h VAL 217 Ca -0.04 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1itc h VAL 217 Cb 1.35 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1itc h VAL 217 CO 0.13 0.10 0.54 0.78 0.02 0.00 0.00 177.57 179.14 1itc h ASN 218 N 0.18 0.90 -0.62 0.57 2.35 -0.97 -0.41 115.58 117.58 1itc h ASN 218 Ca 0.06 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1itc h ASN 218 Cb 0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1itc h ASN 218 CO -0.01 0.61 0.16 0.11 -1.65 0.00 0.00 177.43 176.66 1itc h LYS 219 N 1.05 0.98 -0.13 0.81 1.57 -1.15 0.53 116.57 120.24 1itc h LYS 219 Ca 0.34 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1itc h LYS 219 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1itc h LYS 219 CO -0.12 0.89 -0.53 0.00 -0.57 0.00 0.00 179.45 179.12 1itc h ALA 220 N 1.05 0.86 0.00 3.86 0.00 -0.79 -3.20 119.26 121.04 1itc h ALA 220 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1itc h ALA 220 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1itc h ALA 220 CO -0.00 0.68 -0.78 0.91 0.00 0.00 0.00 179.25 180.07 1itc n TRP 221 N -3.94 0.08 -1.79 0.00 8.01 -0.20 -4.83 117.44 114.76 1itc n TRP 221 Ca -0.02 0.02 -0.11 0.00 -1.31 0.00 0.00 57.50 56.08 1itc n TRP 221 Cb 0.58 -0.24 -0.03 0.00 -2.01 0.00 0.00 31.31 29.61 1itc n TRP 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1itc n GLY 222 N 1.46 0.56 3.68 6.99 0.00 0.18 -4.70 105.19 113.36 1itc n GLY 222 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1itc n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1itc n THR 223 N -3.36 0.00 -2.61 2.61 -2.24 -0.59 -5.02 114.28 103.07 1itc n THR 223 Ca -0.12 -2.00 -0.14 0.00 -2.27 0.00 0.00 64.05 59.52 1itc n THR 223 Cb 0.49 -0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1itc n THR 223 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1itc n LYS 224 N -1.92 1.85 -1.84 -0.78 4.76 -1.26 -4.64 118.16 114.33 1itc n LYS 224 Ca 0.05 -3.62 -0.41 0.00 -2.87 0.00 0.00 58.31 51.45 1itc n LYS 224 Cb 0.59 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.21 1itc n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1itc s LEU 225 N -3.28 4.35 0.29 -0.35 1.43 -1.26 -4.92 118.68 114.94 1itc s LEU 225 Ca 0.33 2.92 0.21 0.00 -1.03 0.00 0.00 54.13 56.56 1itc s LEU 225 Cb 0.43 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 43.14 1itc s LEU 225 CO -0.03 -0.85 1.30 0.16 0.23 0.00 0.00 176.35 177.16 1itc h ILE 226 N 3.29 0.18 -3.17 -0.59 3.07 -1.99 -3.48 117.51 114.83 1itc h ILE 226 Ca -0.48 -1.29 0.03 0.00 1.55 0.00 0.00 64.86 64.67 1itc h ILE 226 Cb 1.22 1.89 -0.07 0.00 -0.27 0.00 0.00 36.82 39.59 1itc h ILE 226 CO 0.75 0.10 0.13 -0.94 -1.05 0.00 0.00 178.15 177.14 1itc s SER 227 N -5.90 -0.25 0.56 2.16 1.04 -1.26 -5.03 113.70 105.03 1itc s SER 227 Ca 0.03 -0.61 0.25 0.00 0.48 0.00 0.00 55.95 56.10 1itc s SER 227 Cb 0.07 0.67 1.60 0.00 0.10 0.00 0.00 66.02 68.47 1itc s SER 227 CO 0.74 -1.24 2.20 -0.33 0.98 0.00 0.00 173.24 175.59 1itc h GLU 228 N 2.08 0.00 0.00 4.02 3.07 -1.98 -1.00 114.58 120.77 1itc h GLU 228 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1itc h GLU 228 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1itc h GLU 228 CO 0.29 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 179.19 1itc n LEU 229 N -4.05 0.37 -0.01 1.33 4.77 -1.26 -2.05 117.00 116.10 1itc n LEU 229 Ca -0.03 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1itc n LEU 229 Cb 0.10 -0.50 0.53 0.00 -2.33 0.00 0.00 43.42 41.22 1itc n LEU 229 CO 0.30 -0.33 0.83 0.00 -1.33 0.00 0.00 177.39 176.86 1itc n ALA 230 N -1.64 2.70 -2.58 -1.18 0.00 -0.38 -4.59 120.51 112.84 1itc n ALA 230 Ca 0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1itc n ALA 230 Cb 0.25 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1itc n ALA 230 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1itc s ILE 231 N -2.91 4.01 0.17 0.00 1.01 -0.87 -4.96 121.20 117.66 1itc s ILE 231 Ca 0.16 0.79 -0.06 0.00 0.00 0.00 0.00 60.65 61.55 1itc s ILE 231 Cb 0.19 -4.74 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 1itc s ILE 231 CO 0.56 -1.39 0.22 -0.76 0.00 0.00 0.00 174.94 173.57 1itc s LEU 232 N 4.97 1.13 0.98 2.97 1.43 -1.26 -4.66 118.68 124.24 1itc s LEU 232 Ca 0.41 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 1itc s LEU 232 Cb -0.08 0.89 0.18 0.00 0.03 0.00 0.00 46.19 47.21 1itc s LEU 232 CO 0.24 -0.87 1.13 -2.16 0.23 0.00 0.00 176.35 174.91 1itc s PRO 233 N -4.03 0.56 0.03 1.29 0.04 -1.26 -4.90 135.00 126.74 1itc s PRO 233 Ca 0.23 0.28 -0.35 0.00 0.04 0.00 0.00 61.00 61.20 1itc s PRO 233 Cb 0.05 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.67 1itc s PRO 233 CO 0.04 -2.59 1.62 -2.30 0.04 0.00 0.00 177.00 173.81 1itc n PRO 234 N -4.04 1.82 0.10 0.56 -0.02 -1.26 -4.87 135.00 127.30 1itc n PRO 234 Ca 0.07 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1itc n PRO 234 Cb 0.59 -2.41 0.25 0.00 -0.02 0.00 0.00 33.50 31.91 1itc n PRO 234 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1itc h SER 235 N 6.61 0.00 -3.00 2.55 4.64 -2.00 -3.40 113.55 118.94 1itc h SER 235 Ca -0.47 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.20 1itc h SER 235 Cb 1.28 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.98 1itc h SER 235 CO 0.89 0.04 -0.77 -0.62 -0.87 0.00 0.00 176.83 175.50 1itc s ASP 236 N -4.68 3.72 0.23 4.97 -1.08 -1.26 -5.02 116.67 113.54 1itc s ASP 236 Ca 0.08 -1.67 -0.07 0.00 -0.52 0.00 0.00 52.55 50.37 1itc s ASP 236 Cb 0.12 -0.66 0.35 0.00 -1.46 0.00 0.00 42.92 41.27 1itc s ASP 236 CO 0.67 -0.40 1.76 1.23 0.52 0.00 0.00 175.17 178.95 1itc h GLY 237 N 7.96 1.04 1.00 2.66 0.00 -1.98 -1.63 103.07 112.11 1itc h GLY 237 Ca -0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1itc h GLY 237 CO 0.44 0.00 -0.04 -2.09 0.00 0.00 0.00 176.54 174.85 1itc h GLU 238 N 0.52 -0.11 -0.79 4.80 4.57 -1.95 -1.52 114.58 120.10 1itc h GLU 238 Ca 0.36 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1itc h GLU 238 Cb 0.43 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1itc h GLU 238 CO -0.31 -0.07 0.40 1.96 -1.18 0.00 0.00 179.01 179.81 1itc h GLN 239 N -0.12 1.12 -0.77 1.92 4.20 -1.92 -0.68 115.11 118.86 1itc h GLN 239 Ca -0.01 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1itc h GLN 239 Cb 0.09 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1itc h GLN 239 CO 0.02 0.85 0.51 0.35 -0.67 0.00 0.00 178.83 179.89 1itc h PHE 240 N 1.11 0.97 0.00 2.96 3.57 -1.13 -1.16 116.94 123.27 1itc h PHE 240 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1itc h PHE 240 Cb 0.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1itc h PHE 240 CO 0.01 0.62 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.41 1itc h LEU 241 N 1.05 0.00 0.11 0.59 3.38 -0.80 0.24 115.31 119.88 1itc h LEU 241 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 1itc h LEU 241 Cb -0.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1itc h LEU 241 CO -0.06 0.22 -0.90 0.24 0.09 0.00 0.00 178.44 178.03 1itc h MET 242 N 0.00 0.41 0.00 1.13 2.86 -0.29 -3.36 114.93 115.68 1itc h MET 242 Ca -0.00 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1itc h MET 242 Cb 0.75 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1itc h MET 242 CO 0.03 1.25 0.00 0.27 1.06 0.00 0.00 176.91 179.52 1itc n ASN 243 N -4.05 0.00 -0.15 1.22 6.94 -0.52 -4.92 115.26 113.79 1itc n ASN 243 Ca -0.13 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.51 1itc n ASN 243 Cb 0.84 0.00 0.40 0.00 -2.36 0.00 0.00 39.78 38.66 1itc n ASN 243 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1itc h GLY 244 N 0.00 0.84 2.00 4.83 0.00 -1.02 -2.15 103.07 107.58 1itc h GLY 244 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1itc h GLY 244 CO 0.00 0.18 -0.04 0.10 0.00 0.00 0.00 176.54 176.77 1itc h TYR 245 N 0.64 0.00 0.00 5.60 -0.00 -1.27 -2.79 116.97 119.14 1itc h TYR 245 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.03 1itc h TYR 245 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 1itc h TYR 245 CO -0.00 0.04 0.00 -0.07 -0.00 0.00 0.00 178.16 178.13 1itc h LEU 246 N 0.00 0.00-10.67 0.10 3.38 -1.67 -3.29 115.31 103.16 1itc h LEU 246 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1itc h LEU 246 Cb 0.15 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.01 1itc h LEU 246 CO 0.01 0.00 0.33 -0.94 0.09 0.00 0.00 178.44 177.93 1itc s SER 247 N -5.72 4.23 0.25 -0.43 1.04 -1.05 -4.86 113.70 107.16 1itc s SER 247 Ca 0.03 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.89 1itc s SER 247 Cb 0.08 -0.87 0.31 0.00 0.10 0.00 0.00 66.02 65.65 1itc s SER 247 CO 0.57 -2.02 1.75 -0.03 0.98 0.00 0.00 173.24 174.49 1itc h MET 248 N -1.02 0.82 -0.06 4.02 4.05 -1.88 0.38 114.93 121.23 1itc h MET 248 Ca -0.44 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 58.76 1itc h MET 248 Cb 1.30 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1itc h MET 248 CO 0.55 0.82 0.03 -0.92 0.23 0.00 0.00 176.91 177.62 1itc h TYR 249 N 0.76 0.08 -0.76 1.39 3.20 -1.88 -0.78 116.97 118.98 1itc h TYR 249 Ca 0.15 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1itc h TYR 249 Cb 0.45 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1itc h TYR 249 CO 0.02 0.11 0.48 0.78 -1.64 0.00 0.00 178.16 177.91 1itc h GLY 250 N 0.03 1.12 0.97 1.82 0.00 -1.50 0.88 103.07 106.39 1itc h GLY 250 Ca 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1itc h GLY 250 CO -0.00 0.28 0.19 0.50 0.00 0.00 0.00 176.54 177.51 1itc h LYS 251 N 0.91 0.78 -0.41 4.80 1.57 -0.70 -1.96 116.57 121.55 1itc h LYS 251 Ca 0.32 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1itc h LYS 251 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1itc h LYS 251 CO -0.13 0.70 0.11 -0.44 -0.57 0.00 0.00 179.45 179.13 1itc h ASP 252 N 0.70 0.61 -0.25 0.86 3.32 -0.51 -0.49 116.42 120.66 1itc h ASP 252 Ca 0.17 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1itc h ASP 252 Cb 0.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1itc h ASP 252 CO -0.01 0.67 0.12 0.22 -1.72 0.00 0.00 179.24 178.52 1itc h TYR 253 N 0.52 0.22 -0.32 4.55 3.20 -0.72 -1.34 116.97 123.09 1itc h TYR 253 Ca 0.13 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1itc h TYR 253 Cb 0.29 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1itc h TYR 253 CO 0.01 0.12 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.44 1itc h LEU 254 N 0.26 0.55 -0.25 2.82 3.38 -1.29 0.61 115.31 121.40 1itc h LEU 254 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1itc h LEU 254 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1itc h LEU 254 CO -0.08 0.73 0.16 -0.08 0.09 0.00 0.00 178.44 179.26 1itc h GLU 255 N 0.52 0.33 -0.10 1.13 4.81 -0.63 -0.04 114.58 120.60 1itc h GLU 255 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1itc h GLU 255 Cb 0.56 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1itc h GLU 255 CO 0.04 0.24 0.04 2.35 -0.73 0.00 0.00 179.01 180.94 1itc h TRP 256 N 0.33 0.16 0.22 0.92 7.01 -0.95 0.16 115.95 123.79 1itc h TRP 256 Ca 0.09 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1itc h TRP 256 Cb -0.02 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1itc h TRP 256 CO -0.05 0.28 -0.29 -0.92 -2.79 0.00 0.00 178.44 174.66 1itc h TYR 257 N -0.01 -0.79 -0.11 2.65 3.20 -0.67 -1.83 116.97 119.41 1itc h TYR 257 Ca 0.03 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 1itc h TYR 257 Cb 0.19 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1itc h TYR 257 CO -0.01 -0.41 -0.49 0.37 -1.64 0.00 0.00 178.16 175.97 1itc h GLN 258 N -0.57 0.30 -0.68 1.82 4.15 -1.06 -3.05 115.11 116.02 1itc h GLN 258 Ca 0.01 -0.17 0.12 0.00 0.77 0.00 0.00 58.65 59.38 1itc h GLN 258 Cb 0.56 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1itc h GLN 258 CO -0.11 0.73 0.45 0.78 -1.93 0.00 0.00 178.83 178.75 1itc h GLY 259 N 1.29 0.67 1.02 2.39 0.00 -0.18 -0.94 103.07 107.33 1itc h GLY 259 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1itc h GLY 259 CO 0.08 0.09 0.40 -2.22 0.00 0.00 0.00 176.54 174.89 1itc h ILE 260 N 0.45 1.24 -0.30 2.60 2.04 -1.23 0.15 117.51 122.45 1itc h ILE 260 Ca 0.32 -0.62 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1itc h ILE 260 Cb 0.65 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1itc h ILE 260 CO -0.10 0.27 -0.33 -0.07 0.00 0.00 0.00 178.15 177.92 1itc h LEU 261 N 1.06 0.68 -0.48 1.44 3.38 -1.32 -0.80 115.31 119.27 1itc h LEU 261 Ca 0.27 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1itc h LEU 261 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1itc h LEU 261 CO -0.04 0.96 0.04 -0.33 0.09 0.00 0.00 178.44 179.16 1itc h GLU 262 N 0.56 0.82 -0.59 1.13 5.08 -0.82 -0.13 114.58 120.62 1itc h GLU 262 Ca 0.06 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1itc h GLU 262 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1itc h GLU 262 CO 0.07 0.84 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.99 1itc h ASN 263 N 0.68 1.03 -0.95 1.42 2.35 -0.83 -2.34 115.58 116.93 1itc h ASN 263 Ca 0.14 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1itc h ASN 263 Cb 0.44 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1itc h ASN 263 CO 0.02 1.09 0.60 -0.74 -1.65 0.00 0.00 177.43 176.75 1itc h HIS 264 N 0.95 1.23 -0.41 1.19 2.76 -0.83 -0.75 115.15 119.29 1itc h HIS 264 Ca 0.16 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1itc h HIS 264 Cb 0.58 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1itc h HIS 264 CO 0.04 0.80 0.25 1.15 -1.30 0.00 0.00 177.93 178.86 1itc h THR 265 N 1.30 1.13 -0.15 6.26 2.02 -0.64 -0.76 112.91 122.08 1itc h THR 265 Ca 0.35 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1itc h THR 265 Cb -0.10 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1itc h THR 265 CO -0.07 0.13 -0.30 0.11 0.37 0.00 0.00 175.52 175.77 1itc h LYS 266 N 0.54 0.28 0.12 6.66 1.57 -0.93 -1.94 116.57 122.87 1itc h LYS 266 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1itc h LYS 266 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1itc h LYS 266 CO -0.03 0.55 -0.06 1.25 -0.57 0.00 0.00 179.45 180.60 1itc h LEU 267 N 0.25 -0.13 -1.28 2.94 5.85 -0.62 -2.34 115.31 119.98 1itc h LEU 267 Ca 0.04 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1itc h LEU 267 Cb 0.65 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1itc h LEU 267 CO 0.05 0.41 -0.22 0.16 -0.34 0.00 0.00 178.44 178.49 1itc h ILE 268 N -0.74 1.22 -0.35 4.05 3.07 -1.19 -1.88 117.51 121.68 1itc h ILE 268 Ca -0.02 -1.00 -0.03 0.00 1.55 0.00 0.00 64.86 65.36 1itc h ILE 268 Cb 0.54 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 38.45 1itc h ILE 268 CO 0.03 0.30 0.12 1.23 -1.05 0.00 0.00 178.15 178.78 1itc h GLY 269 N 0.89 0.59 0.98 0.16 0.00 -1.39 -0.11 103.07 104.18 1itc h GLY 269 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1itc h GLY 269 CO 0.03 0.32 0.15 -2.09 0.00 0.00 0.00 176.54 174.96 1itc h GLU 270 N 0.42 0.32 -0.49 4.80 4.81 -1.01 -1.20 114.58 122.23 1itc h GLU 270 Ca 0.11 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1itc h GLU 270 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1itc h GLU 270 CO -0.00 0.24 0.29 -0.07 -0.73 0.00 0.00 179.01 178.74 1itc h LEU 271 N 0.31 0.59 0.22 1.64 3.38 -1.24 -1.80 115.31 118.40 1itc h LEU 271 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1itc h LEU 271 Cb -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1itc h LEU 271 CO -0.02 0.48 -0.10 0.00 0.09 0.00 0.00 178.44 178.89 1itc h ALA 272 N 1.14 -0.29 -0.83 1.53 0.00 -0.82 -1.28 119.26 118.70 1itc h ALA 272 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1itc h ALA 272 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1itc h ALA 272 CO -0.03 -0.62 0.54 0.45 0.00 0.00 0.00 179.25 179.58 1itc h HIS 273 N -0.37 1.01 -0.77 0.00 3.86 -1.17 0.37 115.15 118.07 1itc h HIS 273 Ca -0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1itc h HIS 273 Cb 0.28 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1itc h HIS 273 CO -0.04 0.59 0.43 -0.91 0.86 0.00 0.00 177.93 178.86 1itc h ASN 274 N 1.05 0.95 0.45 2.45 2.35 -1.18 0.72 115.58 122.37 1itc h ASN 274 Ca 0.33 -0.09 -0.24 0.00 -0.55 0.00 0.00 56.30 55.74 1itc h ASN 274 Cb -0.01 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1itc h ASN 274 CO -0.11 0.77 -1.06 0.00 -1.65 0.00 0.00 177.43 175.38 1itc h ALA 275 N 1.23 0.27 0.00 -0.83 0.00 -0.55 -3.41 119.26 115.97 1itc h ALA 275 Ca 0.27 -0.77 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1itc h ALA 275 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1itc h ALA 275 CO -0.05 0.87 -1.91 1.19 0.00 0.00 0.00 179.25 179.35 1itc n PHE 276 N -3.67 0.00 -0.22 0.00 3.72 0.12 -4.61 117.46 112.81 1itc n PHE 276 Ca -0.07 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.35 1itc n PHE 276 Cb 0.90 -0.63 0.12 0.00 -0.94 0.00 0.00 39.48 38.94 1itc n PHE 276 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1itc h ASP 277 N 0.00 -0.21 -0.06 4.37 3.32 -1.02 0.20 116.42 123.03 1itc h ASP 277 Ca -0.31 0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.73 1itc h ASP 277 Cb 1.65 0.26 0.01 0.00 0.22 0.00 0.00 39.33 41.47 1itc h ASP 277 CO 0.02 -0.10 -0.62 0.74 -1.72 0.00 0.00 179.24 177.55 1itc h THR 278 N 0.15 1.37 -0.27 0.35 2.02 -1.84 -1.51 112.91 113.18 1itc h THR 278 Ca 0.35 -1.98 -0.11 0.00 0.77 0.00 0.00 66.41 65.44 1itc h THR 278 Cb 0.58 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1itc h THR 278 CO -0.53 0.59 -0.28 0.74 0.37 0.00 0.00 175.52 176.41 1itc h THR 279 N 0.10 1.31 0.00 3.16 2.02 -1.74 -3.40 112.91 114.35 1itc h THR 279 Ca -0.06 -1.45 -0.18 0.00 0.77 0.00 0.00 66.41 65.49 1itc h THR 279 Cb 1.29 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1itc h THR 279 CO 0.13 0.46 -1.70 0.49 0.37 0.00 0.00 175.52 175.27 1itc n PHE 280 N -4.29 0.00 -3.57 3.16 3.01 0.69 -4.94 117.46 111.52 1itc n PHE 280 Ca -0.04 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.23 1itc n PHE 280 Cb 0.46 -0.47 0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1itc n PHE 280 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1itc n GLN 281 N -2.85 -5.69 -4.39 -1.08 7.27 -0.57 -5.01 117.38 105.07 1itc n GLN 281 Ca -0.22 0.73 -0.20 0.00 0.07 0.00 0.00 57.00 57.39 1itc n GLN 281 Cb 0.73 -5.51 -0.10 0.00 2.41 0.00 0.00 30.24 27.77 1itc n GLN 281 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1itc s VAL 282 N -3.52 1.74 0.67 1.69 -7.23 -1.26 -5.09 120.40 107.41 1itc s VAL 282 Ca 0.01 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 57.83 1itc s VAL 282 Cb -0.00 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1itc s VAL 282 CO 0.77 -0.47 1.16 -2.16 -0.31 0.00 0.00 175.10 174.10 1itc s PRO 283 N -3.67 2.58 -0.01 4.82 0.04 -1.26 -4.83 135.00 132.68 1itc s PRO 283 Ca 0.26 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1itc s PRO 283 Cb 0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1itc s PRO 283 CO 0.09 -1.47 -0.19 0.42 0.04 0.00 0.00 177.00 175.89 1itc s ILE 284 N -2.05 1.53 0.21 0.56 1.01 -1.26 -1.71 121.20 119.49 1itc s ILE 284 Ca 0.72 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1itc s ILE 284 Cb -0.26 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1itc s ILE 284 CO 0.41 0.39 0.20 -0.83 0.00 0.00 0.00 174.94 175.11 1itc s GLY 285 N -0.57 1.21 0.15 6.18 0.00 -0.60 -0.76 107.32 112.93 1itc s GLY 285 Ca 0.07 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1itc s GLY 285 CO -0.00 -1.22 0.05 0.00 0.00 0.00 0.00 173.10 171.93 1itc s ALA 286 N -4.12 1.04 0.12 3.20 0.00 -0.65 -0.83 121.76 120.52 1itc s ALA 286 Ca 0.34 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1itc s ALA 286 Cb 0.05 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1itc s ALA 286 CO 0.11 -0.46 -0.12 0.15 0.00 0.00 0.00 175.76 175.43 1itc s LYS 287 N -4.03 2.02 -0.09 0.00 1.02 -1.26 -2.29 119.74 115.11 1itc s LYS 287 Ca 0.26 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1itc s LYS 287 Cb 0.07 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1itc s LYS 287 CO 0.04 0.49 -0.20 0.42 -0.92 0.00 0.00 175.35 175.18 1itc s ILE 288 N -1.27 1.73 0.45 2.17 1.01 -0.58 -0.43 121.20 124.29 1itc s ILE 288 Ca 0.21 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 1itc s ILE 288 Cb -0.11 -1.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 1itc s ILE 288 CO 0.13 0.49 0.98 0.00 0.00 0.00 0.00 174.94 176.53 1itc s ALA 289 N 0.44 2.99 -0.95 9.38 0.00 -1.26 -4.20 121.76 128.17 1itc s ALA 289 Ca -0.17 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 1itc s ALA 289 Cb -0.17 -3.17 0.18 0.00 0.00 0.00 0.00 23.12 19.96 1itc s ALA 289 CO 0.07 -0.03 1.04 0.20 0.00 0.00 0.00 175.76 177.04 1itc s GLY 290 N -2.22 2.37 -1.23 0.00 0.00 -1.26 -4.92 107.32 100.06 1itc s GLY 290 Ca 0.63 -3.14 -0.14 0.00 0.00 0.00 0.00 44.72 42.07 1itc s GLY 290 CO 0.17 1.69 1.51 -0.62 0.00 0.00 0.00 173.10 175.84 1itc n VAL 291 N 4.59 4.22 0.68 1.40 0.31 -1.26 -4.80 118.33 123.47 1itc n VAL 291 Ca 0.22 -4.62 0.13 0.00 -0.01 0.00 0.00 64.34 60.06 1itc n VAL 291 Cb 0.47 -2.45 0.35 0.00 -0.91 0.00 0.00 33.84 31.30 1itc n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1itc n HIS 292 N 5.87 0.64 -2.73 3.52 1.44 -1.26 -4.49 115.22 118.21 1itc n HIS 292 Ca 0.39 0.19 -0.32 0.00 -2.01 0.00 0.00 57.72 55.97 1itc n HIS 292 Cb 0.43 -0.76 -0.04 0.00 0.12 0.00 0.00 29.99 29.74 1itc n HIS 292 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1itc s TRP 293 N -3.10 3.42 -1.96 -1.40 -2.14 -1.26 -1.93 118.94 110.56 1itc s TRP 293 Ca 0.10 1.33 0.00 0.00 2.66 0.00 0.00 56.10 60.19 1itc s TRP 293 Cb 0.14 -2.66 0.00 0.00 -3.10 0.00 0.00 33.47 27.85 1itc s TRP 293 CO 0.63 -0.17 0.00 1.04 -2.66 0.00 0.00 176.95 175.79 1itc n GLN 294 N -1.12 -1.30 0.14 3.25 1.13 0.43 -4.05 117.38 115.85 1itc n GLN 294 Ca 0.05 1.15 -0.14 0.00 -1.94 0.00 0.00 57.00 56.12 1itc n GLN 294 Cb 0.54 -5.44 -0.08 0.00 0.11 0.00 0.00 30.24 25.37 1itc n GLN 294 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1itc h TYR 295 N 0.00 -0.26 -0.47 1.08 3.20 -1.26 -0.94 116.97 118.33 1itc h TYR 295 Ca -0.38 -0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.23 1itc h TYR 295 Cb 1.22 0.08 -0.15 0.00 1.54 0.00 0.00 36.73 39.42 1itc h TYR 295 CO 0.52 -0.12 0.02 0.27 -1.64 0.00 0.00 178.16 177.21 1itc n ASN 296 N -5.19 2.76 -4.66 -2.11 6.94 -1.22 -2.57 115.26 109.21 1itc n ASN 296 Ca -0.09 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.27 1itc n ASN 296 Cb 0.15 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 36.88 1itc n ASN 296 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1itc s ASN 297 N -2.38 6.77 0.34 0.53 3.84 -1.22 -4.90 114.94 117.91 1itc s ASN 297 Ca 0.47 2.07 0.05 0.00 0.21 0.00 0.00 52.86 55.65 1itc s ASN 297 Cb 0.42 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 39.19 1itc s ASN 297 CO 0.01 -0.85 1.87 1.55 -2.79 0.00 0.00 177.10 176.89 1itc h PRO 298 N 8.93 0.50 -0.04 0.43 0.13 -1.94 -2.02 132.00 137.98 1itc h PRO 298 Ca -0.35 -0.11 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 1itc h PRO 298 Cb 1.16 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1itc h PRO 298 CO 0.95 0.54 -0.93 1.15 -0.23 0.00 0.00 178.00 179.49 1itc h THR 299 N 0.48 1.32 -2.27 1.56 2.02 -1.96 -3.39 112.91 110.65 1itc h THR 299 Ca 0.10 -2.22 -0.58 0.00 0.77 0.00 0.00 66.41 64.48 1itc h THR 299 Cb 0.35 2.27 -0.39 0.00 -1.74 0.00 0.00 68.15 68.63 1itc h THR 299 CO 0.01 0.68 -0.95 2.30 0.37 0.00 0.00 175.52 177.93 1itc n ILE 300 N -3.85 -0.37 -1.61 3.11 -5.35 -1.19 -4.16 119.36 105.95 1itc n ILE 300 Ca -0.08 -3.98 -0.55 0.00 -0.27 0.00 0.00 62.75 57.86 1itc n ILE 300 Cb 0.82 -1.87 -0.07 0.00 -1.74 0.00 0.00 39.64 36.78 1itc n ILE 300 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1itc n PRO 301 N 1.99 0.91 -4.05 6.28 -0.02 -0.77 -0.98 135.00 138.36 1itc n PRO 301 Ca 0.25 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 1itc n PRO 301 Cb 0.48 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1itc n PRO 301 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1itc n HIS 302 N 3.02 -1.91 0.18 6.00 8.25 -0.41 -4.82 115.22 125.52 1itc n HIS 302 Ca 0.21 0.82 0.02 0.00 -0.26 0.00 0.00 57.72 58.51 1itc n HIS 302 Cb 0.15 -3.51 0.10 0.00 1.12 0.00 0.00 29.99 27.85 1itc n HIS 302 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1itc n GLY 303 N -1.62 -0.48 0.05 -1.41 0.00 -0.15 -2.48 105.19 99.11 1itc n GLY 303 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1itc n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itc n ALA 304 N -1.35 1.78 0.08 4.61 0.00 -1.26 -1.52 120.51 122.86 1itc n ALA 304 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1itc n ALA 304 Cb 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1itc n ALA 304 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1itc h GLU 305 N 0.00 -0.15 -0.25 0.00 5.08 -1.75 -2.84 114.58 114.67 1itc h GLU 305 Ca -0.23 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1itc h GLU 305 Cb 1.38 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1itc h GLU 305 CO -0.03 0.04 -0.12 0.87 -1.00 0.00 0.00 179.01 178.78 1itc h LYS 306 N -0.33 -0.08 0.00 2.33 1.57 -1.38 0.06 116.57 118.74 1itc h LYS 306 Ca -0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1itc h LYS 306 Cb 0.27 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1itc h LYS 306 CO 0.03 -0.05 -0.05 -1.35 -0.57 0.00 0.00 179.45 177.45 1itc h PRO 307 N -0.08 0.00 0.00 3.15 0.11 -1.81 0.16 132.00 133.52 1itc h PRO 307 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1itc h PRO 307 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1itc h PRO 307 CO -0.30 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 177.54 1itc n ALA 308 N -2.38 2.07 0.00 -0.75 0.00 -0.18 -4.51 120.51 114.76 1itc n ALA 308 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1itc n ALA 308 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1itc n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itc n GLY 309 N 0.89 0.73 3.32 0.00 0.00 0.56 -1.73 105.19 108.96 1itc n GLY 309 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1itc n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itc s TYR 310 N -2.00 3.23 -0.07 1.61 2.02 -0.17 -4.49 117.35 117.49 1itc s TYR 310 Ca 0.00 -1.27 0.01 0.00 -0.37 0.00 0.00 57.07 55.44 1itc s TYR 310 Cb 0.00 -3.84 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 1itc s TYR 310 CO 0.00 -1.07 -0.05 -1.71 -1.57 0.00 0.00 175.55 171.15 1itc n ASN 311 N 5.37 3.48 -3.58 2.29 2.85 -1.26 -2.98 115.26 121.42 1itc n ASN 311 Ca -0.11 -0.03 -0.29 0.00 -0.11 0.00 0.00 54.58 54.03 1itc n ASN 311 Cb 0.41 -0.01 -0.13 0.00 1.24 0.00 0.00 39.78 41.28 1itc n ASN 311 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1itc s ASP 312 N -4.55 3.43 0.40 1.20 -1.08 -1.26 -5.01 116.67 109.80 1itc s ASP 312 Ca -0.09 -2.02 0.10 0.00 -0.52 0.00 0.00 52.55 50.02 1itc s ASP 312 Cb 0.02 -0.62 0.89 0.00 -1.46 0.00 0.00 42.92 41.75 1itc s ASP 312 CO 0.17 -0.34 1.98 1.88 0.52 0.00 0.00 175.17 179.37 1itc h TYR 313 N 7.41 0.59 -0.05 -5.34 0.05 -1.98 -1.08 116.97 116.57 1itc h TYR 313 Ca -0.04 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1itc h TYR 313 Cb 0.98 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 1itc h TYR 313 CO 0.41 0.30 0.02 1.03 -1.05 0.00 0.00 178.16 178.87 1itc h SER 314 N 0.57 0.07 -0.47 3.88 0.87 -1.98 -0.73 113.55 115.76 1itc h SER 314 Ca 0.28 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1itc h SER 314 Cb 0.37 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1itc h SER 314 CO -0.09 0.20 0.10 -0.74 -0.53 0.00 0.00 176.83 175.77 1itc h HIS 315 N -0.07 0.86 -0.32 2.24 -0.00 -1.85 -2.41 115.15 113.60 1itc h HIS 315 Ca 0.02 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 1itc h HIS 315 Cb 0.15 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 1itc h HIS 315 CO -0.02 0.74 0.01 1.25 -0.00 0.00 0.00 177.93 179.91 1itc h LEU 316 N 0.79 0.54 -1.43 0.26 5.85 -1.04 -2.94 115.31 117.34 1itc h LEU 316 Ca 0.17 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1itc h LEU 316 Cb 0.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1itc h LEU 316 CO 0.00 0.70 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.55 1itc h LEU 317 N 0.35 0.14 -1.64 2.25 3.38 -0.96 -2.09 115.31 116.74 1itc h LEU 317 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1itc h LEU 317 Cb 0.42 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1itc h LEU 317 CO 0.01 0.34 0.23 0.44 0.09 0.00 0.00 178.44 179.55 1itc h ASP 318 N 0.13 0.41 -0.69 -0.43 3.32 -1.26 -0.95 116.42 116.96 1itc h ASP 318 Ca 0.03 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1itc h ASP 318 Cb 0.41 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1itc h ASP 318 CO 0.03 0.30 0.17 0.00 -1.72 0.00 0.00 179.24 178.03 1itc h ALA 319 N 1.77 0.91 -0.48 3.45 0.00 -1.33 -1.40 119.26 122.17 1itc h ALA 319 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1itc h ALA 319 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1itc h ALA 319 CO -0.03 0.63 0.15 0.74 0.00 0.00 0.00 179.25 180.74 1itc h PHE 320 N 1.03 0.77 -0.12 0.00 -1.00 -1.18 -1.07 116.94 115.38 1itc h PHE 320 Ca 0.22 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.94 1itc h PHE 320 Cb 0.36 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1itc h PHE 320 CO 0.03 0.68 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.17 1itc h LYS 321 N 0.64 0.01 -0.81 1.51 1.63 -1.08 -0.80 116.57 117.68 1itc h LYS 321 Ca 0.16 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1itc h LYS 321 Cb 0.26 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 1itc h LYS 321 CO -0.01 0.01 0.44 0.77 -3.45 0.00 0.00 179.45 177.22 1itc h SER 322 N 0.01 1.01 0.48 4.20 0.02 -1.12 -1.66 113.55 116.49 1itc h SER 322 Ca 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1itc h SER 322 Cb 0.08 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1itc h SER 322 CO -0.11 0.81 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 1itc n ALA 323 N -2.42 2.47 -3.41 3.77 0.00 -0.42 -4.91 120.51 115.60 1itc n ALA 323 Ca 0.08 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1itc n ALA 323 Cb 0.10 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.15 1itc n ALA 323 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1itc n LYS 324 N -1.25 -6.63 -5.19 0.00 5.02 -0.44 -4.67 118.16 105.01 1itc n LYS 324 Ca 0.15 0.80 -0.32 0.00 -2.02 0.00 0.00 58.31 56.92 1itc n LYS 324 Cb 0.22 -5.71 -0.16 0.00 -0.02 0.00 0.00 35.03 29.36 1itc n LYS 324 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1itc s LEU 325 N -6.36 2.15 0.55 -0.35 1.43 -0.44 -4.67 118.68 110.99 1itc s LEU 325 Ca 0.14 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 1itc s LEU 325 Cb -0.06 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 1itc s LEU 325 CO 0.69 0.20 1.06 -1.81 0.23 0.00 0.00 176.35 176.72 1itc s ASP 326 N 0.13 5.98 -0.06 2.29 -0.00 0.06 -4.50 116.67 120.56 1itc s ASP 326 Ca -0.12 1.91 -0.00 0.00 -0.00 0.00 0.00 52.55 54.33 1itc s ASP 326 Cb -0.16 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.18 1itc s ASP 326 CO 0.07 -1.03 -0.02 -0.69 -0.00 0.00 0.00 175.17 173.50 1itc s VAL 327 N -2.19 4.12 -0.10 -1.27 1.01 -0.75 -1.63 120.40 119.59 1itc s VAL 327 Ca 0.66 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1itc s VAL 327 Cb -0.17 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1itc s VAL 327 CO 0.29 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.87 1itc s THR 328 N -0.92 1.59 0.49 3.92 2.01 -0.97 -0.28 115.64 121.47 1itc s THR 328 Ca 0.15 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1itc s THR 328 Cb -0.11 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1itc s THR 328 CO 0.04 0.46 0.20 0.33 -0.69 0.00 0.00 174.62 174.96 1itc n PHE 329 N 3.92 0.16 -3.98 4.92 7.35 -0.12 -1.52 117.46 128.19 1itc n PHE 329 Ca -0.20 -2.21 -0.11 0.00 -0.76 0.00 0.00 57.45 54.17 1itc n PHE 329 Cb 0.52 -0.36 -0.03 0.00 0.35 0.00 0.00 39.48 39.96 1itc n PHE 329 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1itc n THR 330 N -1.44 0.00 -1.06 -2.13 5.66 -1.26 -1.53 114.28 112.52 1itc n THR 330 Ca -0.10 -1.38 -0.02 0.00 -3.05 0.00 0.00 64.05 59.49 1itc n THR 330 Cb 0.58 0.81 -0.01 0.00 -1.55 0.00 0.00 70.33 70.16 1itc n THR 330 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1itc h LEU 332 N 0.00 0.00 -0.28 0.00 4.07 -1.88 -2.41 115.31 114.81 1itc h LEU 332 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1itc h LEU 332 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1itc h LEU 332 CO 0.06 0.01 -0.19 -1.84 -1.08 0.00 0.00 178.44 175.40 1itc n GLU 333 N -3.23 0.62 -3.49 1.13 0.00 -1.26 -3.57 120.64 110.84 1itc n GLU 333 Ca -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 57.16 56.64 1itc n GLU 333 Cb 0.11 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.05 1itc n GLU 333 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1itc s MET 334 N -2.57 3.28 0.20 3.44 -1.94 -0.91 -4.78 119.30 116.02 1itc s MET 334 Ca 0.25 -0.69 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1itc s MET 334 Cb 0.19 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 1itc s MET 334 CO 0.52 0.12 -0.12 0.95 -0.01 0.00 0.00 175.02 176.47 1itc s THR 335 N -2.23 2.98 0.33 2.05 -4.23 -1.26 -4.25 115.64 109.04 1itc s THR 335 Ca 0.41 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 58.81 1itc s THR 335 Cb -0.09 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 1itc s THR 335 CO 0.33 -0.17 1.26 -1.81 -0.54 0.00 0.00 174.62 173.69 1itc s ASP 336 N -2.96 6.80 0.08 3.99 1.01 -1.26 -4.51 116.67 119.83 1itc s ASP 336 Ca 0.25 2.59 0.00 0.00 0.71 0.00 0.00 52.55 56.10 1itc s ASP 336 Cb -0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1itc s ASP 336 CO 0.15 -0.51 0.00 0.29 0.21 0.00 0.00 175.17 175.31 1itc n LYS 337 N 0.75 0.00 -1.73 8.23 4.76 0.28 -5.01 118.16 125.44 1itc n LYS 337 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1itc n LYS 337 Cb 0.43 -0.33 -0.06 0.00 -1.84 0.00 0.00 35.03 33.23 1itc n LYS 337 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1itc n GLY 338 N 3.33 1.28 3.68 0.72 0.00 0.16 -4.88 105.19 109.47 1itc n GLY 338 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1itc n GLY 338 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itc s SER 339 N -2.65 4.79 0.48 1.61 1.04 -1.26 -4.71 113.70 112.99 1itc s SER 339 Ca 0.00 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 55.74 1itc s SER 339 Cb 0.00 -1.01 -0.07 0.00 0.10 0.00 0.00 66.02 65.04 1itc s SER 339 CO 0.00 0.05 1.36 -0.47 0.98 0.00 0.00 173.24 175.16 1itc s TYR 340 N -1.94 2.49 -1.38 5.02 6.14 -1.26 -0.33 117.35 126.08 1itc s TYR 340 Ca 0.29 1.35 0.23 0.00 0.64 0.00 0.00 57.07 59.58 1itc s TYR 340 Cb -0.08 -3.79 0.09 0.00 0.42 0.00 0.00 41.96 38.60 1itc s TYR 340 CO 0.20 -2.66 1.13 -0.35 0.64 0.00 0.00 175.55 174.51 1itc n PRO 341 N -0.49 0.44 0.09 4.97 -0.04 -1.26 -4.82 135.00 133.90 1itc n PRO 341 Ca 0.07 -0.34 -0.06 0.00 -0.04 0.00 0.00 63.50 63.13 1itc n PRO 341 Cb 0.44 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1itc n PRO 341 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1itc h GLU 342 N 0.82 0.07 -6.56 0.54 3.07 -1.83 -3.46 114.58 107.23 1itc h GLU 342 Ca 0.00 -0.08 -0.51 0.00 -0.50 0.00 0.00 59.36 58.27 1itc h GLU 342 Cb 0.57 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.45 1itc h GLU 342 CO 0.00 0.88 -0.91 0.66 -1.40 0.00 0.00 179.01 178.24 1itc n TYR 343 N -3.59 -1.61 -3.19 4.33 4.01 0.55 -0.43 117.16 117.23 1itc n TYR 343 Ca -0.02 0.69 -0.39 0.00 -0.16 0.00 0.00 57.90 58.01 1itc n TYR 343 Cb 0.80 -3.58 -0.06 0.00 -0.31 0.00 0.00 39.34 36.20 1itc n TYR 343 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1itc s SER 344 N -4.28 6.65 -0.42 7.72 0.15 -1.26 -1.25 113.70 121.00 1itc s SER 344 Ca 0.05 0.78 0.10 0.00 0.70 0.00 0.00 55.95 57.59 1itc s SER 344 Cb -0.02 -2.32 0.35 0.00 -1.71 0.00 0.00 66.02 62.32 1itc s SER 344 CO 0.90 -0.19 0.81 0.23 1.20 0.00 0.00 173.24 176.19 1itc n MET 345 N 4.70 1.63 -0.27 5.44 2.81 -0.81 0.37 117.12 130.98 1itc n MET 345 Ca -0.03 -3.79 -0.05 0.00 -1.81 0.00 0.00 57.70 52.02 1itc n MET 345 Cb 0.50 -1.84 0.06 0.00 -0.71 0.00 0.00 33.22 31.24 1itc n MET 345 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1itc h PRO 346 N 2.99 1.04 -0.23 0.03 0.13 -1.79 -1.91 132.00 132.25 1itc h PRO 346 Ca 0.10 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1itc h PRO 346 Cb 0.86 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1itc h PRO 346 CO 0.59 0.76 0.01 -0.22 -0.23 0.00 0.00 178.00 178.91 1itc h LYS 347 N 1.04 0.40 -0.98 0.86 3.64 -1.82 0.04 116.57 119.75 1itc h LYS 347 Ca 0.27 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1itc h LYS 347 Cb 0.01 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1itc h LYS 347 CO -0.05 0.57 0.65 1.15 -2.27 0.00 0.00 179.45 179.51 1itc h THR 348 N 0.18 1.22 0.04 1.00 2.02 -1.93 -0.83 112.91 114.60 1itc h THR 348 Ca 0.07 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1itc h THR 348 Cb 0.38 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1itc h THR 348 CO 0.01 0.24 -0.02 0.25 0.37 0.00 0.00 175.52 176.37 1itc h LEU 349 N 1.29 -0.05 -0.35 2.58 5.85 -1.06 -1.58 115.31 121.99 1itc h LEU 349 Ca 0.37 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.09 1itc h LEU 349 Cb -0.08 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1itc h LEU 349 CO -0.10 0.01 0.15 0.58 -0.34 0.00 0.00 178.44 178.74 1itc h VAL 350 N -0.10 0.93 -0.79 1.05 2.07 -0.50 -1.55 116.25 117.37 1itc h VAL 350 Ca -0.01 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1itc h VAL 350 Cb 0.08 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1itc h VAL 350 CO 0.01 0.06 0.49 1.56 0.02 0.00 0.00 177.57 179.71 1itc h GLN 351 N 0.31 0.92 -0.19 1.57 4.20 -1.00 -0.87 115.11 120.05 1itc h GLN 351 Ca 0.16 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1itc h GLN 351 Cb 0.11 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1itc h GLN 351 CO -0.14 0.61 0.10 -0.91 -0.67 0.00 0.00 178.83 177.82 1itc h ASN 352 N 0.95 0.24 -0.50 1.46 -0.26 -0.77 -1.33 115.58 115.36 1itc h ASN 352 Ca 0.32 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1itc h ASN 352 Cb 0.06 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1itc h ASN 352 CO -0.13 0.26 0.31 0.40 -1.06 0.00 0.00 177.43 177.21 1itc h ILE 353 N 0.20 1.14 -0.74 2.81 1.08 -0.96 -2.04 117.51 119.00 1itc h ILE 353 Ca 0.07 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1itc h ILE 353 Cb 0.07 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 1itc h ILE 353 CO -0.01 0.15 0.28 0.00 -0.69 0.00 0.00 178.15 177.88 1itc h ALA 354 N 1.15 0.96 -0.06 1.87 0.00 -1.04 -0.25 119.26 121.89 1itc h ALA 354 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1itc h ALA 354 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1itc h ALA 354 CO -0.04 0.60 0.04 1.15 0.00 0.00 0.00 179.25 181.01 1itc h THR 355 N 1.07 1.05 -0.20 0.00 2.02 -1.02 0.07 112.91 115.90 1itc h THR 355 Ca 0.25 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1itc h THR 355 Cb 0.24 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1itc h THR 355 CO -0.02 0.04 0.11 -0.07 0.37 0.00 0.00 175.52 175.96 1itc h LEU 356 N 0.05 0.24 -0.35 2.58 3.38 -1.17 -1.09 115.31 118.96 1itc h LEU 356 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1itc h LEU 356 Cb 0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1itc h LEU 356 CO -0.00 0.24 0.13 0.00 0.09 0.00 0.00 178.44 178.90 1itc h ALA 357 N 1.01 0.41 -0.47 1.53 0.00 -0.87 -1.64 119.26 119.23 1itc h ALA 357 Ca 0.07 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1itc h ALA 357 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1itc h ALA 357 CO -0.01 -0.26 -0.06 -0.91 0.00 0.00 0.00 179.25 178.01 1itc h ASN 358 N 0.29 0.79 -0.14 0.00 2.35 -0.84 -0.04 115.58 117.98 1itc h ASN 358 Ca 0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1itc h ASN 358 Cb 0.11 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1itc h ASN 358 CO -0.15 0.89 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.17 1itc h GLU 359 N 0.74 0.40 -0.01 0.81 5.08 -0.73 -2.68 114.58 118.19 1itc h GLU 359 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1itc h GLU 359 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1itc h GLU 359 CO 0.03 0.45 -0.38 1.63 -1.00 0.00 0.00 179.01 179.74 1itc n LYS 360 N -4.30 0.55 -2.44 2.33 5.02 -0.66 -4.95 118.16 113.71 1itc n LYS 360 Ca 0.01 -0.34 -0.04 0.00 -2.02 0.00 0.00 58.31 55.92 1itc n LYS 360 Cb 0.23 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1itc n LYS 360 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itc n GLY 361 N 1.40 0.52 3.64 0.72 0.00 -0.70 -5.03 105.19 105.75 1itc n GLY 361 Ca 0.09 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1itc n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itc s ILE 362 N -2.70 5.25 0.00 -0.61 1.01 -0.11 -5.03 121.20 119.01 1itc s ILE 362 Ca 0.06 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1itc s ILE 362 Cb -0.03 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 1itc s ILE 362 CO 0.07 0.35 1.96 -0.69 0.00 0.00 0.00 174.94 176.64 1itc s VAL 363 N 1.06 3.07 -0.19 2.92 1.01 -1.26 -4.52 120.40 122.49 1itc s VAL 363 Ca 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1itc s VAL 363 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1itc s VAL 363 CO 0.04 -0.01 -0.01 -0.22 0.00 0.00 0.00 175.10 174.91 1itc s LEU 364 N 4.78 3.27 0.25 3.92 2.96 -1.26 -1.80 118.68 130.80 1itc s LEU 364 Ca 0.88 -0.18 0.11 0.00 -0.22 0.00 0.00 54.13 54.73 1itc s LEU 364 Cb -0.41 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1itc s LEU 364 CO 0.40 0.09 -0.15 0.20 -1.32 0.00 0.00 176.35 175.58 1itc s ASN 365 N 0.83 3.87 0.20 3.68 0.01 0.61 -0.07 114.94 124.07 1itc s ASN 365 Ca 0.00 -0.86 0.02 0.00 -0.71 0.00 0.00 52.86 51.31 1itc s ASN 365 Cb -0.14 -0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.00 1itc s ASN 365 CO 0.02 0.05 0.03 -0.83 -1.51 0.00 0.00 177.10 174.86 1itc s GLY 366 N -3.36 1.39 0.16 0.66 0.00 0.34 -0.94 107.32 105.57 1itc s GLY 366 Ca 0.28 -1.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 1itc s GLY 366 CO 0.15 -1.55 0.26 -0.54 0.00 0.00 0.00 173.10 171.42 1itc s GLU 367 N -3.95 1.14 -0.05 2.90 2.02 -0.59 -0.29 118.70 119.89 1itc s GLU 367 Ca 0.28 -1.23 -0.10 0.00 0.02 0.00 0.00 54.97 53.95 1itc s GLU 367 Cb 0.07 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.61 1itc s GLU 367 CO 0.07 -0.41 0.27 0.54 0.02 0.00 0.00 175.26 175.75 1itc s ASN 368 N -2.99 6.58 0.11 -0.19 4.22 -1.24 -2.43 114.94 119.00 1itc s ASN 368 Ca 0.19 0.68 -0.10 0.00 -2.14 0.00 0.00 52.86 51.50 1itc s ASN 368 Cb 0.04 -2.15 -0.14 0.00 1.28 0.00 0.00 41.25 40.28 1itc s ASN 368 CO 0.01 0.35 1.28 0.00 -2.04 0.00 0.00 177.10 176.70 1itc h ALA 369 N 4.69 0.29 -2.80 3.54 0.00 -1.91 -3.43 119.26 119.65 1itc h ALA 369 Ca -0.53 -0.66 -0.48 0.00 0.00 0.00 0.00 54.91 53.24 1itc h ALA 369 Cb 1.22 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 1itc h ALA 369 CO 0.61 0.73 -0.77 -0.51 0.00 0.00 0.00 179.25 179.31 1itc s LEU 370 N -8.08 2.45 0.24 0.00 1.43 -1.26 -5.00 118.68 108.44 1itc s LEU 370 Ca -0.08 -0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 51.83 1itc s LEU 370 Cb 0.08 -0.73 -0.14 0.00 0.03 0.00 0.00 46.19 45.43 1itc s LEU 370 CO 0.89 -0.09 1.25 -1.20 0.23 0.00 0.00 176.35 177.44 1itc n SER 371 N 0.25 2.07 -4.69 2.29 7.64 -1.26 -4.94 113.62 114.97 1itc n SER 371 Ca -0.13 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.54 1itc n SER 371 Cb 0.58 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 1itc n SER 371 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1itc s ILE 372 N -0.36 5.32 -0.64 0.44 1.01 -1.26 -4.96 121.20 120.75 1itc s ILE 372 Ca 0.67 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.80 1itc s ILE 372 Cb -0.71 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1itc s ILE 372 CO 0.53 0.35 0.49 0.61 0.00 0.00 0.00 174.94 176.93 1itc n GLY 373 N 3.86 -0.00 3.12 6.18 0.00 -1.26 -4.99 105.19 112.10 1itc n GLY 373 Ca -0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1itc n GLY 373 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1itc s ASN 374 N -1.55 1.02 0.42 1.61 2.47 -1.26 -5.04 114.94 112.62 1itc s ASN 374 Ca 0.06 -0.78 0.08 0.00 0.42 0.00 0.00 52.86 52.64 1itc s ASN 374 Cb 0.07 0.06 0.90 0.00 -1.45 0.00 0.00 41.25 40.84 1itc s ASN 374 CO 0.29 -0.33 2.06 -0.08 -3.72 0.00 0.00 177.10 175.32 1itc h GLU 375 N 3.72 0.47 -0.88 0.43 4.81 -1.97 -2.36 114.58 118.79 1itc h GLU 375 Ca -0.36 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1itc h GLU 375 Cb 1.18 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 1itc h GLU 375 CO 0.53 0.32 0.57 1.49 -0.73 0.00 0.00 179.01 181.18 1itc h GLU 376 N 0.48 0.82 -0.23 1.92 4.57 -1.99 0.82 114.58 120.97 1itc h GLU 376 Ca 0.13 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 1itc h GLU 376 Cb -0.03 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1itc h GLU 376 CO -0.03 0.54 -0.31 0.93 -1.18 0.00 0.00 179.01 178.97 1itc h GLU 377 N 0.84 0.46 -0.40 1.92 3.07 -1.74 -2.10 114.58 116.62 1itc h GLU 377 Ca 0.41 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1itc h GLU 377 Cb 0.45 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1itc h GLU 377 CO -0.18 0.72 -0.12 1.88 -1.40 0.00 0.00 179.01 179.91 1itc h TYR 378 N 0.40 0.79 -0.21 4.33 0.05 -0.90 -1.75 116.97 119.67 1itc h TYR 378 Ca 0.05 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.59 1itc h TYR 378 Cb 0.74 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1itc h TYR 378 CO 0.02 0.80 -0.29 0.87 -1.05 0.00 0.00 178.16 178.51 1itc h LYS 379 N 0.65 0.42 -0.36 4.88 1.57 -0.79 -0.17 116.57 122.77 1itc h LYS 379 Ca 0.11 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1itc h LYS 379 Cb 0.58 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1itc h LYS 379 CO 0.04 0.67 -0.23 0.00 -0.57 0.00 0.00 179.45 179.36 1itc h ARG 380 N 0.37 0.79 -0.23 3.15 3.08 -1.01 -1.27 114.38 119.25 1itc h ARG 380 Ca 0.05 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1itc h ARG 380 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1itc h ARG 380 CO 0.05 0.99 0.15 0.28 -1.07 0.00 0.00 179.97 180.37 1itc h VAL 381 N 0.57 1.07 -0.29 2.04 2.07 -1.06 -2.54 116.25 118.11 1itc h VAL 381 Ca 0.07 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1itc h VAL 381 Cb 0.79 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1itc h VAL 381 CO 0.06 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.61 1itc h ALA 382 N 1.07 0.14 -0.49 1.67 0.00 -0.87 0.98 119.26 121.75 1itc h ALA 382 Ca 0.08 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1itc h ALA 382 Cb -0.02 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1itc h ALA 382 CO -0.02 -0.50 -0.05 1.49 0.00 0.00 0.00 179.25 180.17 1itc h GLU 383 N -0.06 0.06 0.01 0.00 4.81 -0.93 -0.07 114.58 118.40 1itc h GLU 383 Ca 0.15 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1itc h GLU 383 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1itc h GLU 383 CO -0.33 0.04 -0.00 0.52 -0.73 0.00 0.00 179.01 178.51 1itc h MET 384 N 0.06 -0.01 -0.15 1.92 2.86 -1.03 -2.62 114.93 115.97 1itc h MET 384 Ca 0.25 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1itc h MET 384 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1itc h MET 384 CO -0.46 0.44 0.03 0.00 1.06 0.00 0.00 176.91 177.99 1itc h ALA 385 N 0.53 0.15 -0.00 6.32 0.00 -0.54 -1.60 119.26 124.11 1itc h ALA 385 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itc h ALA 385 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1itc h ALA 385 CO 0.00 -0.41 -0.16 1.19 0.00 0.00 0.00 179.25 179.87 1itc n PHE 386 N -5.08 0.00 0.28 0.00 3.72 -0.06 -1.81 117.46 114.51 1itc n PHE 386 Ca -0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1itc n PHE 386 Cb 0.07 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 1itc n PHE 386 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1itc n ASN 387 N -0.88 0.71 -0.33 4.37 3.02 -0.99 -3.72 115.26 117.44 1itc n ASN 387 Ca 0.13 -0.86 0.08 0.00 -0.03 0.00 0.00 54.58 53.90 1itc n ASN 387 Cb 0.30 0.66 0.15 0.00 -0.61 0.00 0.00 39.78 40.28 1itc n ASN 387 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1itc n TYR 388 N -0.63 0.00 -3.04 3.10 4.02 -0.61 -1.99 117.16 118.02 1itc n TYR 388 Ca 0.02 -1.05 -0.23 0.00 -0.01 0.00 0.00 57.90 56.63 1itc n TYR 388 Cb 0.12 -0.17 0.03 0.00 -0.02 0.00 0.00 39.34 39.30 1itc n TYR 388 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1itc n ASN 389 N -1.14 -5.97 -4.74 7.72 5.15 -1.23 -4.89 115.26 110.17 1itc n ASN 389 Ca 0.15 -0.29 -0.41 0.00 -0.60 0.00 0.00 54.58 53.43 1itc n ASN 389 Cb 0.68 -4.83 -0.03 0.00 -0.53 0.00 0.00 39.78 35.08 1itc n ASN 389 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1itc s PHE 390 N -3.16 3.18 -0.86 1.20 0.40 -0.75 -4.76 117.98 113.23 1itc s PHE 390 Ca 0.31 1.17 0.27 0.00 -0.60 0.00 0.00 56.93 58.08 1itc s PHE 390 Cb -0.14 -3.67 0.82 0.00 0.51 0.00 0.00 43.02 40.55 1itc s PHE 390 CO 0.38 -2.10 1.68 0.00 0.70 0.00 0.00 175.22 175.88 1itc n ALA 391 N 2.45 2.64 -3.58 5.36 0.00 0.90 -4.47 120.51 123.82 1itc n ALA 391 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1itc n ALA 391 Cb 0.42 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1itc n ALA 391 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1itc s GLY 392 N -3.28 -0.27 -0.03 0.00 0.00 -1.24 -2.15 107.32 100.34 1itc s GLY 392 Ca 0.11 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.60 1itc s GLY 392 CO 0.61 0.69 -0.06 -0.12 0.00 0.00 0.00 173.10 174.22 1itc s PHE 393 N -2.06 0.74 -0.21 1.90 5.36 -0.66 -0.51 117.98 122.54 1itc s PHE 393 Ca 0.06 -0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 55.81 1itc s PHE 393 Cb -0.01 -0.59 -0.00 0.00 -0.34 0.00 0.00 43.02 42.07 1itc s PHE 393 CO -0.05 -0.13 -0.08 0.99 -1.46 0.00 0.00 175.22 174.50 1itc s THR 394 N 0.51 3.08 -0.11 0.12 2.01 0.60 0.28 115.64 122.14 1itc s THR 394 Ca -0.07 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1itc s THR 394 Cb -0.11 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1itc s THR 394 CO 0.00 0.45 0.73 -0.22 -0.69 0.00 0.00 174.62 174.90 1itc s LEU 395 N 1.42 4.26 -0.28 4.42 2.96 -0.17 -3.63 118.68 127.66 1itc s LEU 395 Ca 0.05 1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 55.03 1itc s LEU 395 Cb -0.14 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 1itc s LEU 395 CO -0.05 -0.21 0.13 -0.22 -1.32 0.00 0.00 176.35 174.68 1itc s LEU 396 N 1.28 3.85 0.11 -0.68 0.20 -1.26 -1.64 118.68 120.54 1itc s LEU 396 Ca 0.37 -0.32 -0.12 0.00 0.69 0.00 0.00 54.13 54.74 1itc s LEU 396 Cb -0.17 -1.99 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1itc s LEU 396 CO 0.16 -0.11 0.30 -0.60 -0.29 0.00 0.00 176.35 175.81 1itc s ARG 397 N 1.64 0.96 0.00 1.98 3.52 -1.26 -4.30 118.95 121.48 1itc s ARG 397 Ca 0.06 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1itc s ARG 397 Cb -0.16 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1itc s ARG 397 CO 0.06 -0.35 0.00 0.98 -0.81 0.00 0.00 175.30 175.19 1itc n TYR 398 N -0.15 0.00 -0.26 5.12 9.36 0.29 -0.22 117.16 131.29 1itc n TYR 398 Ca -0.15 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.23 1itc n TYR 398 Cb 0.63 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.80 1itc n TYR 398 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1itc h GLN 399 N 0.00 0.50 -0.81 2.98 7.50 -1.95 -2.05 115.11 121.28 1itc h GLN 399 Ca 0.00 -0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.27 1itc h GLN 399 Cb 0.00 -0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.36 1itc h GLN 399 CO 0.00 0.33 0.54 -0.44 -1.50 0.00 0.00 178.83 177.76 1itc h ASP 400 N 0.52 0.48 0.00 1.46 3.32 -0.98 -2.30 116.42 118.91 1itc h ASP 400 Ca 0.48 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.48 1itc h ASP 400 Cb 1.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1itc h ASP 400 CO -0.21 0.24 -1.52 1.33 -1.72 0.00 0.00 179.24 177.36 1itc n VAL 401 N -4.51 0.31 0.02 -1.35 0.24 -1.11 -4.34 118.33 107.59 1itc n VAL 401 Ca 0.16 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 1itc n VAL 401 Cb 0.52 -0.26 0.26 0.00 -1.47 0.00 0.00 33.84 32.90 1itc n VAL 401 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1itc h MET 402 N 0.00 0.48 -0.60 7.34 -1.53 -1.30 -2.88 114.93 116.45 1itc h MET 402 Ca -0.12 -0.13 -0.35 0.00 -3.44 0.00 0.00 59.70 55.66 1itc h MET 402 Cb 1.00 -0.05 -0.20 0.00 -0.55 0.00 0.00 31.60 31.79 1itc h MET 402 CO 0.01 0.60 0.09 0.66 0.14 0.00 0.00 176.91 178.41 1itc n TYR 403 N -4.21 1.91 -3.09 1.39 4.01 -0.87 -4.73 117.16 111.57 1itc n TYR 403 Ca 0.01 -1.89 -0.10 0.00 -0.16 0.00 0.00 57.90 55.75 1itc n TYR 403 Cb 0.32 -0.68 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 1itc n TYR 403 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1itc s ASN 404 N -2.33 -0.37 0.24 7.72 3.84 -1.09 -5.03 114.94 117.93 1itc s ASN 404 Ca 0.50 -1.82 -0.04 0.00 0.21 0.00 0.00 52.86 51.71 1itc s ASN 404 Cb 0.43 1.17 0.46 0.00 -0.55 0.00 0.00 41.25 42.77 1itc s ASN 404 CO 0.02 -0.14 1.73 0.78 -2.79 0.00 0.00 177.10 176.70 1itc h ASN 405 N 5.88 0.27 -0.19 -4.21 -0.26 -1.85 0.11 115.58 115.32 1itc h ASN 405 Ca 0.10 0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.97 1itc h ASN 405 Cb 1.07 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 1itc h ASN 405 CO 0.14 0.10 0.08 -1.28 -1.06 0.00 0.00 177.43 175.40 1itc h SER 406 N 0.44 0.10 -0.49 5.81 0.87 -1.96 -0.17 113.55 118.15 1itc h SER 406 Ca 0.41 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.87 1itc h SER 406 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1itc h SER 406 CO -0.41 0.08 -0.18 0.25 -0.53 0.00 0.00 176.83 176.05 1itc h LEU 407 N 0.17 1.00 -1.27 2.23 5.85 -1.75 -2.51 115.31 119.04 1itc h LEU 407 Ca 0.08 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1itc h LEU 407 Cb 0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1itc h LEU 407 CO -0.08 1.16 0.51 -0.03 -0.34 0.00 0.00 178.44 179.66 1itc h MET 408 N 0.83 0.92 -0.52 1.25 4.05 -0.47 -1.20 114.93 119.79 1itc h MET 408 Ca 0.12 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 1itc h MET 408 Cb 0.75 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1itc h MET 408 CO 0.06 0.61 -0.03 0.78 0.23 0.00 0.00 176.91 178.56 1itc h GLY 409 N 0.95 0.98 1.03 1.39 0.00 -0.70 -1.44 103.07 105.27 1itc h GLY 409 Ca 0.31 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1itc h GLY 409 CO -0.09 0.65 0.00 0.50 0.00 0.00 0.00 176.54 177.60 1itc h LYS 410 N 0.83 0.93 -0.41 4.80 1.79 -0.86 -2.33 116.57 121.32 1itc h LYS 410 Ca 0.15 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1itc h LYS 410 Cb 0.53 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1itc h LYS 410 CO 0.03 0.95 0.16 0.35 -1.08 0.00 0.00 179.45 179.86 1itc h PHE 411 N 0.80 0.63 -0.56 -1.35 3.04 -1.04 -0.95 116.94 117.51 1itc h PHE 411 Ca 0.15 -0.05 0.04 0.00 3.98 0.00 0.00 57.97 62.09 1itc h PHE 411 Cb 0.53 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 1itc h PHE 411 CO 0.04 0.55 0.30 -0.22 -2.02 0.00 0.00 178.31 176.96 1itc h LYS 412 N 0.52 0.57 -0.13 1.11 3.64 -1.16 0.60 116.57 121.72 1itc h LYS 412 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1itc h LYS 412 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1itc h LYS 412 CO -0.01 0.38 0.02 0.22 -2.27 0.00 0.00 179.45 177.78 1itc h ASP 413 N 0.59 0.21 0.33 4.20 3.58 -1.16 -2.97 116.42 121.19 1itc h ASP 413 Ca 0.24 -0.27 -0.33 0.00 0.42 0.00 0.00 57.03 57.09 1itc h ASP 413 Cb 0.11 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1itc h ASP 413 CO -0.14 0.43 -1.71 -0.07 -2.88 0.00 0.00 179.24 174.87 1itc h LEU 414 N -0.02 0.39 0.00 2.28 3.38 -1.02 -3.44 115.31 116.88 1itc h LEU 414 Ca 0.04 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 1itc h LEU 414 Cb 0.32 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1itc h LEU 414 CO 0.00 1.56 -1.05 0.18 0.09 0.00 0.00 178.44 179.22 1itc n LEU 415 N -3.44 0.00 -2.09 1.67 4.77 0.18 -4.76 117.00 113.34 1itc n LEU 415 Ca -0.22 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 1itc n LEU 415 Cb 1.05 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 42.06 1itc n LEU 415 CO 0.48 0.01 1.49 0.61 -1.33 0.00 0.00 177.39 178.65 1itc n GLY 416 N 2.67 3.52 3.94 -0.72 0.00 0.35 -4.74 105.19 110.20 1itc n GLY 416 Ca -0.01 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 1itc n GLY 416 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itc s VAL 417 N -0.57 5.33 -0.23 1.61 -7.23 -1.26 -4.17 120.40 113.87 1itc s VAL 417 Ca 0.52 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 60.03 1itc s VAL 417 Cb 0.30 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 1itc s VAL 417 CO -0.08 -0.05 0.07 -0.89 -0.31 0.00 0.00 175.10 173.85 1itc s THR 418 N -1.70 4.45 0.42 5.32 2.01 -1.26 -4.85 115.64 120.03 1itc s THR 418 Ca 0.35 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1itc s THR 418 Cb -0.11 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.25 1itc s THR 418 CO 0.28 0.36 1.22 -2.84 -0.69 0.00 0.00 174.62 172.96 1itc s PRO 419 N 1.32 3.93 -0.14 4.92 0.02 -1.26 -0.85 135.00 142.93 1itc s PRO 419 Ca 0.05 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 1itc s PRO 419 Cb -0.15 -2.63 0.06 0.00 0.02 0.00 0.00 34.50 31.80 1itc s PRO 419 CO 0.04 -0.46 0.32 0.54 -0.33 0.00 0.00 177.00 177.11 1itc s VAL 420 N -1.38 -0.17 0.22 3.83 0.11 -0.22 -4.83 120.40 117.95 1itc s VAL 420 Ca 0.59 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 59.50 1itc s VAL 420 Cb -0.33 -0.50 -0.08 0.00 -1.53 0.00 0.00 36.38 33.94 1itc s VAL 420 CO 0.41 0.06 1.13 -0.32 -3.33 0.00 0.00 175.10 173.06 1itc s MET 421 N 1.66 4.58 0.01 1.54 1.75 -1.26 -1.31 119.30 126.27 1itc s MET 421 Ca -0.07 1.80 0.00 0.00 -1.25 0.00 0.00 55.69 56.17 1itc s MET 421 Cb -0.10 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.32 1itc s MET 421 CO -0.10 0.07 -0.02 -0.65 -0.65 0.00 0.00 175.02 173.67 1itc s GLN 422 N -0.73 0.20 -0.23 4.11 -1.52 -0.40 -4.31 119.66 116.78 1itc s GLN 422 Ca 0.49 -0.37 -0.14 0.00 -1.95 0.00 0.00 55.36 53.38 1itc s GLN 422 Cb -0.31 0.05 -0.04 0.00 -0.22 0.00 0.00 33.01 32.49 1itc s GLN 422 CO 0.38 -0.03 0.34 0.99 -0.25 0.00 0.00 175.29 176.72 1itc s THR 423 N -0.87 5.23 -0.22 -0.19 2.01 -0.70 -0.56 115.64 120.34 1itc s THR 423 Ca -0.09 0.55 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 1itc s THR 423 Cb -0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1itc s THR 423 CO -0.01 0.25 0.08 -0.63 -0.69 0.00 0.00 174.62 173.62 1itc s ILE 424 N 1.47 4.67 -0.12 1.82 -1.09 -0.32 -0.83 121.20 126.81 1itc s ILE 424 Ca 0.15 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1itc s ILE 424 Cb -0.15 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1itc s ILE 424 CO 0.08 0.38 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.29 1itc s VAL 425 N 1.09 1.76 -0.13 2.92 1.01 0.33 -2.20 120.40 125.17 1itc s VAL 425 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1itc s VAL 425 Cb -0.14 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1itc s VAL 425 CO 0.04 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 1itc s VAL 426 N 0.84 1.55 0.33 2.92 1.01 -0.38 -0.52 120.40 126.15 1itc s VAL 426 Ca -0.08 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1itc s VAL 426 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1itc s VAL 426 CO -0.00 0.45 0.35 -0.54 0.00 0.00 0.00 175.10 175.36 1itc s LYS 427 N 1.25 2.88 -1.38 2.72 1.02 -0.03 -1.30 119.74 124.89 1itc s LYS 427 Ca -0.01 -1.18 -0.05 0.00 0.02 0.00 0.00 55.97 54.75 1itc s LYS 427 Cb -0.14 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1itc s LYS 427 CO -0.06 0.10 0.86 0.09 -0.92 0.00 0.00 175.35 175.41 1itc n ASN 428 N -1.46 -2.88 -4.66 2.83 3.02 -1.26 -0.31 115.26 110.54 1itc n ASN 428 Ca -0.02 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1itc n ASN 428 Cb 0.59 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.53 1itc n ASN 428 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1itc s VAL 429 N -3.49 4.96 -1.51 2.41 1.01 -1.26 -4.42 120.40 118.10 1itc s VAL 429 Ca 0.27 1.34 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 1itc s VAL 429 Cb -0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1itc s VAL 429 CO 0.80 0.06 2.66 -0.81 0.00 0.00 0.00 175.10 177.82 1itc n PRO 430 N 5.27 3.28 -2.99 2.72 -0.04 -1.26 -4.95 135.00 137.03 1itc n PRO 430 Ca 0.01 -2.25 -0.29 0.00 -0.04 0.00 0.00 63.50 60.93 1itc n PRO 430 Cb 0.49 -2.92 -0.02 0.00 -0.04 0.00 0.00 33.50 31.01 1itc n PRO 430 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1itc s THR 431 N 2.64 4.90 0.51 0.52 -4.23 -1.26 -5.10 115.64 113.62 1itc s THR 431 Ca 0.61 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1itc s THR 431 Cb 0.16 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.24 1itc s THR 431 CO -0.06 -0.52 0.00 0.35 -0.54 0.00 0.00 174.62 173.85 1itc n THR 432 N -1.39 0.00 -1.72 3.99 -2.24 -1.26 -5.03 114.28 106.62 1itc n THR 432 Ca 0.00 -2.43 -0.42 0.00 -2.27 0.00 0.00 64.05 58.93 1itc n THR 432 Cb 0.54 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1itc n THR 432 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1itc n ILE 433 N -1.28 0.20 0.00 2.28 -0.00 -1.26 -2.21 119.36 117.10 1itc n ILE 433 Ca -0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 1itc n ILE 433 Cb 0.65 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.34 1itc n ILE 433 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1itc n GLY 434 N 3.58 3.38 3.80 7.39 0.00 -1.26 -4.87 105.19 117.20 1itc n GLY 434 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1itc n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1itc s ASP 435 N -0.97 5.50 0.11 1.61 1.01 -0.94 -3.59 116.67 119.40 1itc s ASP 435 Ca 0.00 1.82 0.04 0.00 0.71 0.00 0.00 52.55 55.13 1itc s ASP 435 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1itc s ASP 435 CO 0.00 -1.36 -0.11 0.42 0.21 0.00 0.00 175.17 174.33 1itc s THR 436 N -2.55 1.03 -0.00 -1.27 -4.23 -0.35 -4.91 115.64 103.36 1itc s THR 436 Ca 0.63 -1.69 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1itc s THR 436 Cb -0.17 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1itc s THR 436 CO 0.42 -0.55 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.03 1itc s VAL 437 N -2.46 2.38 0.18 2.29 1.01 -1.26 -1.08 120.40 121.46 1itc s VAL 437 Ca 0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1itc s VAL 437 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1itc s VAL 437 CO 0.01 0.50 0.12 -0.31 0.00 0.00 0.00 175.10 175.41 1itc s TYR 438 N -0.73 1.08 0.09 5.22 1.51 -0.58 -0.76 117.35 123.18 1itc s TYR 438 Ca 0.11 -1.34 0.06 0.00 -1.01 0.00 0.00 57.07 54.90 1itc s TYR 438 Cb -0.10 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1itc s TYR 438 CO 0.01 -0.61 -0.17 0.96 -1.11 0.00 0.00 175.55 174.63 1itc s ILE 439 N -4.13 1.38 -0.02 2.71 -4.36 0.26 -0.33 121.20 116.71 1itc s ILE 439 Ca 0.35 -1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 59.21 1itc s ILE 439 Cb 0.07 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.47 1itc s ILE 439 CO 0.09 -0.18 0.18 0.28 0.24 0.00 0.00 174.94 175.56 1itc s THR 440 N -1.33 0.06 0.35 8.37 -1.32 -0.71 -1.59 115.64 119.46 1itc s THR 440 Ca 0.03 -0.46 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1itc s THR 440 Cb -0.09 -0.42 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 1itc s THR 440 CO 0.03 -0.25 0.40 0.61 -2.21 0.00 0.00 174.62 173.20 1itc n GLY 441 N 1.85 2.45 0.11 6.08 0.00 -0.29 -1.74 105.19 113.66 1itc n GLY 441 Ca -0.20 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 1itc n GLY 441 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1itc h ASN 442 N 2.08 -0.17 -4.26 1.61 7.08 -1.67 0.34 115.58 120.59 1itc h ASN 442 Ca -0.26 -0.05 -0.51 0.00 -3.08 0.00 0.00 56.30 52.40 1itc h ASN 442 Cb 1.23 0.04 0.12 0.00 -2.08 0.00 0.00 38.32 37.63 1itc h ASN 442 CO 0.37 -0.06 0.35 -0.13 -2.08 0.00 0.00 177.43 175.87 1itc s ARG 443 N -5.91 2.55 0.38 4.14 0.52 -1.26 -4.05 118.95 115.32 1itc s ARG 443 Ca -0.14 1.26 0.10 0.00 -0.52 0.00 0.00 55.73 56.43 1itc s ARG 443 Cb 0.05 -1.93 0.87 0.00 0.52 0.00 0.00 34.95 34.47 1itc s ARG 443 CO 0.65 -1.43 1.92 0.00 0.02 0.00 0.00 175.30 176.46 1itc h ALA 444 N -0.56 1.88 0.00 2.13 0.00 -1.91 0.29 119.26 121.10 1itc h ALA 444 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1itc h ALA 444 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1itc h ALA 444 CO 0.53 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 180.11 1itc n GLU 445 N -4.51 0.08 -0.17 0.00 4.71 -1.26 -1.26 120.64 118.23 1itc n GLU 445 Ca 0.14 0.51 0.09 0.00 -0.01 0.00 0.00 57.16 57.89 1itc n GLU 445 Cb 0.40 -1.73 0.16 0.00 -1.01 0.00 0.00 31.44 29.26 1itc n GLU 445 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1itc n LEU 446 N -1.90 2.77 0.00 -4.62 4.77 0.98 -4.53 117.00 114.47 1itc n LEU 446 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1itc n LEU 446 Cb 0.07 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1itc n LEU 446 CO 0.08 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1itc n GLY 447 N -1.08 0.66 3.97 -0.72 0.00 -0.39 -1.14 105.19 106.49 1itc n GLY 447 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1itc n GLY 447 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1itc n SER 448 N -0.06 -0.80 -0.23 1.61 7.64 -0.67 -1.16 113.62 119.96 1itc n SER 448 Ca 0.00 -1.05 -0.03 0.00 1.01 0.00 0.00 58.87 58.80 1itc n SER 448 Cb 0.03 -2.88 -0.01 0.00 -1.01 0.00 0.00 64.21 60.34 1itc n SER 448 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1itc n TRP 449 N -4.42 0.00 -2.74 1.43 5.03 0.11 -4.90 117.44 111.94 1itc n TRP 449 Ca -0.29 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 59.82 1itc n TRP 449 Cb 0.67 -1.46 -0.03 0.00 -1.03 0.00 0.00 31.31 29.47 1itc n TRP 449 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1itc s ASP 450 N -2.20 7.17 -0.01 -0.99 2.15 -0.31 -4.91 116.67 117.57 1itc s ASP 450 Ca 0.00 1.44 0.17 0.00 0.43 0.00 0.00 52.55 54.59 1itc s ASP 450 Cb 0.00 -2.53 -0.23 0.00 -0.30 0.00 0.00 42.92 39.87 1itc s ASP 450 CO 0.00 -0.43 0.59 0.35 -0.17 0.00 0.00 175.17 175.50 1itc n THR 451 N 4.59 0.00 -0.07 1.71 -2.24 -1.26 -3.06 114.28 113.94 1itc n THR 451 Ca 0.08 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1itc n THR 451 Cb 0.49 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.21 1itc n THR 451 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1itc h LYS 452 N 0.00 0.00 0.00 -0.78 3.64 -1.97 -3.42 116.57 114.04 1itc h LYS 452 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1itc h LYS 452 Cb 0.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1itc h LYS 452 CO 0.00 0.91 -1.39 0.00 -2.27 0.00 0.00 179.45 176.70 1itc n GLN 453 N -4.60 2.11 -0.28 1.90 10.64 -1.26 -4.83 117.38 121.06 1itc n GLN 453 Ca -0.12 0.01 0.11 0.00 -1.83 0.00 0.00 57.00 55.17 1itc n GLN 453 Cb 0.47 -1.14 0.26 0.00 -0.86 0.00 0.00 30.24 28.96 1itc n GLN 453 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1itc n TYR 454 N -2.37 0.75 -1.76 2.61 4.01 -1.26 -3.72 117.16 115.41 1itc n TYR 454 Ca -0.10 -0.42 -0.35 0.00 -0.16 0.00 0.00 57.90 56.87 1itc n TYR 454 Cb 0.66 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.75 1itc n TYR 454 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1itc s PRO 455 N -1.12 2.66 -0.21 -0.72 0.04 -1.17 -0.61 135.00 133.86 1itc s PRO 455 Ca 0.41 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 1itc s PRO 455 Cb 0.22 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1itc s PRO 455 CO 0.30 -1.41 0.12 0.42 0.04 0.00 0.00 177.00 176.46 1itc s ILE 456 N -1.94 5.15 0.27 0.56 1.01 -0.62 -3.72 121.20 121.91 1itc s ILE 456 Ca 0.73 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 61.22 1itc s ILE 456 Cb -0.27 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1itc s ILE 456 CO 0.39 0.40 0.90 -1.58 0.00 0.00 0.00 174.94 175.05 1itc s GLN 457 N 0.72 4.62 0.34 2.79 0.74 -0.80 -0.58 119.66 127.49 1itc s GLN 457 Ca 0.06 1.31 0.08 0.00 0.05 0.00 0.00 55.36 56.86 1itc s GLN 457 Cb -0.13 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 1itc s GLN 457 CO 0.02 0.39 0.13 -0.51 -0.55 0.00 0.00 175.29 174.77 1itc s LEU 458 N -1.72 3.26 -0.03 3.68 1.43 0.06 -4.82 118.68 120.55 1itc s LEU 458 Ca 0.45 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1itc s LEU 458 Cb -0.21 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1itc s LEU 458 CO 0.26 -0.28 -0.14 -0.31 0.23 0.00 0.00 176.35 176.11 1itc s TYR 459 N -2.42 1.39 0.30 0.29 2.02 0.20 -4.48 117.35 114.64 1itc s TYR 459 Ca 0.37 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.42 1itc s TYR 459 Cb -0.03 -0.94 -0.10 0.00 -0.40 0.00 0.00 41.96 40.49 1itc s TYR 459 CO 0.22 -0.11 1.44 -0.47 -1.57 0.00 0.00 175.55 175.06 1itc s TYR 460 N 0.00 2.90 -0.45 2.71 5.04 -1.26 -0.47 117.35 125.83 1itc s TYR 460 Ca -0.01 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1itc s TYR 460 Cb -0.09 -3.86 0.12 0.00 0.35 0.00 0.00 41.96 38.47 1itc s TYR 460 CO 0.01 -2.68 0.23 0.34 -1.34 0.00 0.00 175.55 172.11 1itc s ASP 461 N 0.09 5.13 0.59 4.32 -1.08 0.98 -4.89 116.67 121.80 1itc s ASP 461 Ca 0.56 -2.26 0.30 0.00 -0.52 0.00 0.00 52.55 50.64 1itc s ASP 461 Cb -0.43 -1.79 1.82 0.00 -1.46 0.00 0.00 42.92 41.05 1itc s ASP 461 CO 0.50 -0.47 2.24 0.77 0.52 0.00 0.00 175.17 178.73 1itc h SER 462 N 7.71 0.00 -0.12 -0.34 4.64 -1.94 0.34 113.55 123.85 1itc h SER 462 Ca -0.09 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 1itc h SER 462 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1itc h SER 462 CO 0.68 0.01 -0.70 0.45 -0.87 0.00 0.00 176.83 176.40 1itc h HIS 463 N 0.00 0.93 -0.01 4.77 3.86 -1.95 -3.33 115.15 119.43 1itc h HIS 463 Ca -0.00 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1itc h HIS 463 Cb 0.04 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1itc h HIS 463 CO 0.00 1.24 -0.44 -1.13 0.86 0.00 0.00 177.93 178.46 1itc n SER 464 N -4.04 1.52 -2.50 2.45 3.41 -1.08 -5.00 113.62 108.38 1itc n SER 464 Ca -0.08 -1.26 -0.18 0.00 -0.26 0.00 0.00 58.87 57.08 1itc n SER 464 Cb 0.71 0.57 0.03 0.00 -0.26 0.00 0.00 64.21 65.26 1itc n SER 464 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1itc n ASN 465 N -0.35 -5.33 -3.81 4.04 4.05 0.12 -5.02 115.26 108.97 1itc n ASN 465 Ca 0.06 -0.23 -0.23 0.00 0.45 0.00 0.00 54.58 54.63 1itc n ASN 465 Cb 0.34 -4.17 -0.08 0.00 1.23 0.00 0.00 39.78 37.10 1itc n ASN 465 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1itc s ASP 466 N -2.75 2.27 -0.12 1.20 1.47 -1.16 -4.49 116.67 113.09 1itc s ASP 466 Ca 0.25 -1.71 -0.01 0.00 1.18 0.00 0.00 52.55 52.26 1itc s ASP 466 Cb -0.11 0.54 -0.02 0.00 -0.34 0.00 0.00 42.92 42.99 1itc s ASP 466 CO 0.30 -0.99 -0.09 0.26 0.68 0.00 0.00 175.17 175.33 1itc s TRP 467 N -3.33 2.89 0.12 2.11 0.52 -0.42 -0.01 118.94 120.81 1itc s TRP 467 Ca 0.31 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1itc s TRP 467 Cb 0.02 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1itc s TRP 467 CO 0.20 -0.01 -0.05 1.03 0.02 0.00 0.00 176.95 178.13 1itc s ARG 468 N 0.01 0.93 -0.29 4.98 0.52 0.38 -1.25 118.95 124.24 1itc s ARG 468 Ca -0.02 -1.40 -0.25 0.00 -0.52 0.00 0.00 55.73 53.54 1itc s ARG 468 Cb -0.14 -0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.20 1itc s ARG 468 CO 0.04 -0.03 1.14 0.20 0.02 0.00 0.00 175.30 176.66 1itc s GLY 469 N -3.09 -0.01 -0.38 -3.53 0.00 -0.93 0.59 107.32 99.96 1itc s GLY 469 Ca 0.15 2.91 -0.22 0.00 0.00 0.00 0.00 44.72 47.56 1itc s GLY 469 CO -0.02 1.88 0.74 -1.31 0.00 0.00 0.00 173.10 174.39 1itc s ASN 470 N 0.19 6.48 -0.06 1.64 -0.87 -1.26 -1.17 114.94 119.89 1itc s ASN 470 Ca 0.04 0.17 0.04 0.00 -1.57 0.00 0.00 52.86 51.54 1itc s ASN 470 Cb -0.05 -2.37 -0.02 0.00 -0.02 0.00 0.00 41.25 38.79 1itc s ASN 470 CO -0.09 -0.74 -0.18 -0.69 -2.57 0.00 0.00 177.10 172.83 1itc s VAL 471 N 3.04 2.67 -0.13 1.60 1.01 0.27 -4.91 120.40 123.95 1itc s VAL 471 Ca 0.29 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1itc s VAL 471 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1itc s VAL 471 CO 0.18 0.57 0.81 -0.69 0.00 0.00 0.00 175.10 175.97 1itc s VAL 472 N -0.38 4.92 0.21 2.92 1.01 -1.26 -1.28 120.40 126.54 1itc s VAL 472 Ca 0.03 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.68 1itc s VAL 472 Cb -0.12 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1itc s VAL 472 CO 0.02 0.10 -0.05 -0.76 0.00 0.00 0.00 175.10 174.41 1itc s LEU 473 N 1.69 2.36 -0.31 3.92 1.43 -0.43 -4.35 118.68 123.00 1itc s LEU 473 Ca 0.39 -1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.07 1itc s LEU 473 Cb -0.17 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1itc s LEU 473 CO 0.15 -0.40 1.13 -2.16 0.23 0.00 0.00 176.35 175.30 1itc s PRO 474 N -3.79 4.04 0.35 1.29 0.04 -1.26 -1.06 135.00 134.61 1itc s PRO 474 Ca 0.25 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1itc s PRO 474 Cb 0.04 -3.77 -0.11 0.00 0.04 0.00 0.00 34.50 30.70 1itc s PRO 474 CO 0.07 -0.94 1.43 0.00 0.04 0.00 0.00 177.00 177.60 1itc s ALA 475 N 3.79 3.56 -1.46 8.56 0.00 -0.03 -3.20 121.76 132.98 1itc s ALA 475 Ca 0.48 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.83 1itc s ALA 475 Cb -0.13 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1itc s ALA 475 CO 0.17 -0.90 0.91 0.39 0.00 0.00 0.00 175.76 176.33 1itc n GLU 476 N 0.78 -6.48 -4.41 0.00 1.02 -0.06 -4.61 120.64 106.87 1itc n GLU 476 Ca 0.01 0.87 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 1itc n GLU 476 Cb 0.40 -5.83 -0.15 0.00 -0.02 0.00 0.00 31.44 25.84 1itc n GLU 476 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1itc s ARG 477 N -6.03 0.81 0.28 3.49 1.81 -1.19 -4.83 118.95 113.29 1itc s ARG 477 Ca 0.45 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.80 1itc s ARG 477 Cb -0.20 -0.78 -0.09 0.00 -0.45 0.00 0.00 34.95 33.43 1itc s ARG 477 CO 0.56 0.21 1.02 -0.80 -0.68 0.00 0.00 175.30 175.62 1itc s ASN 478 N -0.29 7.36 0.04 0.23 0.01 -1.26 -0.92 114.94 120.11 1itc s ASN 478 Ca 0.03 2.09 -0.03 0.00 -0.71 0.00 0.00 52.86 54.24 1itc s ASN 478 Cb -0.04 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1itc s ASN 478 CO -0.00 -0.07 0.04 0.27 -1.51 0.00 0.00 177.10 175.84 1itc s ILE 479 N -1.26 0.16 0.03 0.60 -4.36 -0.65 -4.94 121.20 110.78 1itc s ILE 479 Ca 0.45 -1.31 0.05 0.00 -0.26 0.00 0.00 60.65 59.58 1itc s ILE 479 Cb -0.28 -1.05 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1itc s ILE 479 CO 0.35 -0.72 -0.14 -1.61 0.24 0.00 0.00 174.94 173.06 1itc s GLU 480 N -2.98 0.95 0.34 0.37 2.02 -1.26 -1.47 118.70 116.67 1itc s GLU 480 Ca -0.02 -0.71 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 1itc s GLU 480 Cb 0.01 -0.95 0.04 0.00 0.10 0.00 0.00 34.13 33.33 1itc s GLU 480 CO -0.06 0.24 0.75 -0.59 0.02 0.00 0.00 175.26 175.62 1itc s PHE 481 N -0.76 -0.01 -0.15 1.61 -0.71 -0.17 -1.88 117.98 115.91 1itc s PHE 481 Ca 0.02 -0.57 -0.23 0.00 -1.04 0.00 0.00 56.93 55.12 1itc s PHE 481 Cb -0.07 0.77 0.06 0.00 -1.21 0.00 0.00 43.02 42.56 1itc s PHE 481 CO 0.01 -1.42 0.58 0.15 -1.34 0.00 0.00 175.22 173.20 1itc s LYS 482 N -3.04 0.79 0.26 1.99 1.02 -0.71 -0.60 119.74 119.45 1itc s LYS 482 Ca 0.14 0.53 -0.08 0.00 0.02 0.00 0.00 55.97 56.58 1itc s LYS 482 Cb -0.05 0.38 -0.07 0.00 -0.52 0.00 0.00 37.83 37.57 1itc s LYS 482 CO 0.09 -0.16 0.56 0.00 -0.92 0.00 0.00 175.35 174.92 1itc s ALA 483 N -0.32 3.57 0.17 5.17 0.00 -1.26 -1.74 121.76 127.36 1itc s ALA 483 Ca -0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1itc s ALA 483 Cb -0.03 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1itc s ALA 483 CO 0.04 0.40 0.29 -0.59 0.00 0.00 0.00 175.76 175.90 1itc s PHE 484 N -1.93 0.45 -0.05 0.00 -0.71 0.56 -0.80 117.98 115.50 1itc s PHE 484 Ca 0.47 -0.80 0.03 0.00 -1.04 0.00 0.00 56.93 55.59 1itc s PHE 484 Cb -0.11 -0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1itc s PHE 484 CO 0.24 -0.74 -0.13 0.42 -1.34 0.00 0.00 175.22 173.67 1itc s ILE 485 N -3.99 3.13 -0.07 -4.49 1.01 -0.56 -1.53 121.20 114.70 1itc s ILE 485 Ca 0.19 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1itc s ILE 485 Cb 0.03 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1itc s ILE 485 CO 0.02 0.58 -0.22 -0.54 0.00 0.00 0.00 174.94 174.78 1itc s LYS 486 N -0.78 2.69 1.03 2.79 1.02 -0.24 -0.71 119.74 125.54 1itc s LYS 486 Ca 0.12 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1itc s LYS 486 Cb -0.11 -2.26 0.25 0.00 -0.52 0.00 0.00 37.83 35.19 1itc s LYS 486 CO 0.01 0.37 1.09 -1.13 -0.92 0.00 0.00 175.35 174.77 1itc n SER 487 N 2.99 -1.13 -0.25 2.83 3.41 0.40 -1.21 113.62 120.65 1itc n SER 487 Ca -0.18 -1.25 -0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1itc n SER 487 Cb 0.52 -0.92 0.12 0.00 -0.26 0.00 0.00 64.21 63.67 1itc n SER 487 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1itc h LYS 488 N 0.00 0.72 -1.05 4.33 1.57 -1.89 -1.78 116.57 118.46 1itc h LYS 488 Ca -0.38 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.17 1itc h LYS 488 Cb 1.12 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.16 1itc h LYS 488 CO 0.26 0.47 0.24 -0.40 -0.57 0.00 0.00 179.45 179.45 1itc n ASP 489 N -4.76 3.49 -0.91 0.86 3.85 -1.26 -4.86 116.55 112.96 1itc n ASP 489 Ca 0.10 -2.59 -0.12 0.00 -0.71 0.00 0.00 54.79 51.47 1itc n ASP 489 Cb 0.20 -0.66 -0.05 0.00 -1.35 0.00 0.00 41.12 39.26 1itc n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1itc n GLY 490 N -0.02 1.18 3.73 6.12 0.00 -0.67 -4.98 105.19 110.55 1itc n GLY 490 Ca 0.21 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1itc n GLY 490 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itc s THR 491 N -2.12 4.90 -0.18 2.61 2.01 -1.26 -4.74 115.64 116.86 1itc s THR 491 Ca 0.00 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 1itc s THR 491 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1itc s THR 491 CO 0.00 0.31 1.47 -0.69 -0.69 0.00 0.00 174.62 175.02 1itc s VAL 492 N 0.34 3.92 -0.16 3.82 1.01 -1.26 -0.46 120.40 127.62 1itc s VAL 492 Ca 0.37 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 1itc s VAL 492 Cb -0.19 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.14 1itc s VAL 492 CO 0.20 -0.22 0.23 0.29 0.00 0.00 0.00 175.10 175.59 1itc n LYS 493 N 7.17 0.72 -3.69 2.72 5.02 0.11 -4.96 118.16 125.25 1itc n LYS 493 Ca 0.16 0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1itc n LYS 493 Cb 0.45 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1itc n LYS 493 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1itc s SER 494 N -6.94 -0.35 0.27 4.39 1.04 -1.25 -5.02 113.70 105.84 1itc s SER 494 Ca -0.26 -0.37 0.11 0.00 0.48 0.00 0.00 55.95 55.92 1itc s SER 494 Cb 0.07 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 1itc s SER 494 CO 0.72 -1.14 -0.19 0.26 0.98 0.00 0.00 173.24 173.87 1itc s TRP 495 N -3.75 2.17 0.55 5.02 0.52 -1.26 -1.50 118.94 120.69 1itc s TRP 495 Ca 0.08 -0.39 -0.21 0.00 0.02 0.00 0.00 56.10 55.60 1itc s TRP 495 Cb -0.04 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1itc s TRP 495 CO -0.01 0.64 1.33 -1.14 0.02 0.00 0.00 176.95 177.79 1itc s GLN 496 N -3.54 3.13 0.02 4.98 0.74 0.02 -4.95 119.66 120.06 1itc s GLN 496 Ca 0.29 2.16 -0.09 0.00 0.05 0.00 0.00 55.36 57.76 1itc s GLN 496 Cb -0.04 -2.22 -0.05 0.00 1.10 0.00 0.00 33.01 31.81 1itc s GLN 496 CO 0.13 -1.17 1.14 1.15 -0.55 0.00 0.00 175.29 175.99 1itc h THR 497 N 1.37 0.00 -3.09 -0.34 2.02 -0.39 -3.44 112.91 109.04 1itc h THR 497 Ca -0.51 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.02 1itc h THR 497 Cb 1.30 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 1itc h THR 497 CO 0.57 0.00 -0.57 -0.63 0.37 0.00 0.00 175.52 175.26 1itc s ILE 498 N -3.74 4.78 0.04 3.11 1.09 -1.26 -5.07 121.20 120.16 1itc s ILE 498 Ca -0.05 -0.46 -0.31 0.00 -1.10 0.00 0.00 60.65 58.74 1itc s ILE 498 Cb 0.01 -3.22 -0.07 0.00 -1.06 0.00 0.00 42.46 38.12 1itc s ILE 498 CO 0.15 0.29 1.49 -1.58 -0.10 0.00 0.00 174.94 175.19 1itc s GLN 499 N -1.93 4.26 0.52 2.79 0.74 -1.26 -4.94 119.66 119.85 1itc s GLN 499 Ca 0.25 2.11 -0.02 0.00 0.05 0.00 0.00 55.36 57.75 1itc s GLN 499 Cb -0.12 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.47 1itc s GLN 499 CO 0.17 -0.61 0.78 -0.65 -0.55 0.00 0.00 175.29 174.43 1itc s GLN 500 N 2.27 2.93 0.21 1.67 -1.52 0.23 -4.92 119.66 120.53 1itc s GLN 500 Ca 0.67 -0.33 -0.22 0.00 -1.95 0.00 0.00 55.36 53.53 1itc s GLN 500 Cb -0.35 -2.43 0.05 0.00 -0.22 0.00 0.00 33.01 30.06 1itc s GLN 500 CO 0.29 -0.51 0.69 -1.54 -0.25 0.00 0.00 175.29 173.97 1itc s SER 501 N -4.28 -0.39 -0.21 5.90 1.04 -1.26 -1.00 113.70 113.50 1itc s SER 501 Ca 0.52 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 1itc s SER 501 Cb -0.10 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.76 1itc s SER 501 CO 0.41 -1.13 0.24 0.86 0.98 0.00 0.00 173.24 174.60 1itc s TRP 502 N -3.78 -0.34 -0.59 5.02 -0.11 -0.54 -4.99 118.94 113.62 1itc s TRP 502 Ca 0.07 0.28 0.04 0.00 1.22 0.00 0.00 56.10 57.70 1itc s TRP 502 Cb -0.03 -0.32 0.14 0.00 -1.50 0.00 0.00 33.47 31.76 1itc s TRP 502 CO -0.02 -0.62 0.35 -0.80 -4.62 0.00 0.00 176.95 171.23 1itc s ASN 503 N 2.35 4.54 0.47 5.86 0.02 -1.26 -1.64 114.94 125.28 1itc s ASN 503 Ca 0.08 -3.26 0.06 0.00 -1.02 0.00 0.00 52.86 48.72 1itc s ASN 503 Cb -0.16 -1.66 0.06 0.00 0.02 0.00 0.00 41.25 39.52 1itc s ASN 503 CO -0.13 -0.20 0.52 -0.81 0.02 0.00 0.00 177.10 176.50 1itc n PRO 504 N 2.79 0.74 -1.95 -0.60 -0.04 -1.26 -5.02 135.00 129.66 1itc n PRO 504 Ca 0.10 -2.69 -0.42 0.00 -0.04 0.00 0.00 63.50 60.45 1itc n PRO 504 Cb 0.33 0.02 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 1itc n PRO 504 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1itc s VAL 505 N -2.09 2.58 0.66 0.52 1.01 -0.10 -4.83 120.40 118.16 1itc s VAL 505 Ca 0.39 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1itc s VAL 505 Cb -0.03 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1itc s VAL 505 CO 0.25 0.05 1.24 -2.84 0.00 0.00 0.00 175.10 173.81 1itc s PRO 506 N 0.41 2.50 0.22 2.72 0.02 -1.26 -0.89 135.00 138.72 1itc s PRO 506 Ca 0.65 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1itc s PRO 506 Cb -0.43 -1.86 0.20 0.00 0.02 0.00 0.00 34.50 32.42 1itc s PRO 506 CO 0.37 -1.59 1.55 1.25 -0.33 0.00 0.00 177.00 178.25 1itc h LEU 507 N 0.32 0.49 -9.80 -5.54 5.85 -1.95 -3.40 115.31 101.28 1itc h LEU 507 Ca -0.50 -0.25 -0.62 0.00 0.84 0.00 0.00 57.88 57.35 1itc h LEU 507 Cb 1.31 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1itc h LEU 507 CO 0.52 0.93 -0.39 -0.54 -0.34 0.00 0.00 178.44 178.61 1itc s LYS 508 N -3.99 3.57 0.19 1.25 1.02 -1.26 -4.97 119.74 115.54 1itc s LYS 508 Ca -0.06 -0.11 -0.32 0.00 0.02 0.00 0.00 55.97 55.50 1itc s LYS 508 Cb 0.12 -3.06 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 1itc s LYS 508 CO 0.82 0.64 1.70 0.99 -0.92 0.00 0.00 175.35 178.58 1itc s THR 509 N -1.33 2.24 0.00 2.17 2.01 -1.26 -4.93 115.64 114.53 1itc s THR 509 Ca 0.29 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1itc s THR 509 Cb -0.13 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1itc s THR 509 CO 0.17 0.01 0.00 1.07 -0.69 0.00 0.00 174.62 175.18 1itc n THR 510 N 4.09 0.00 -3.87 -0.82 5.66 -1.26 -5.05 114.28 113.02 1itc n THR 510 Ca 0.16 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.05 1itc n THR 510 Cb 0.36 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.05 1itc n THR 510 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1itc s SER 511 N 1.65 0.07 -0.18 1.09 1.04 -1.26 -1.71 113.70 114.40 1itc s SER 511 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1itc s SER 511 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1itc s SER 511 CO 0.00 -0.52 -0.10 -2.28 0.98 0.00 0.00 173.24 171.33 1itc s HIS 512 N -2.41 2.20 -0.13 5.02 2.46 -0.01 -4.95 115.29 117.47 1itc s HIS 512 Ca -0.06 -1.41 -0.00 0.00 0.47 0.00 0.00 55.06 54.06 1itc s HIS 512 Cb -0.02 -1.55 -0.01 0.00 -0.13 0.00 0.00 32.58 30.87 1itc s HIS 512 CO -0.03 -0.70 -0.13 0.99 -2.47 0.00 0.00 174.74 172.40 1itc s THR 513 N 1.47 3.03 0.19 0.89 2.01 -1.26 -0.52 115.64 121.46 1itc s THR 513 Ca 0.00 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1itc s THR 513 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1itc s THR 513 CO -0.08 0.53 0.16 -0.94 -0.69 0.00 0.00 174.62 173.59 1itc s SER 514 N 0.34 0.15 -0.03 3.53 1.04 0.32 -4.99 113.70 114.06 1itc s SER 514 Ca -0.11 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.04 1itc s SER 514 Cb -0.16 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1itc s SER 514 CO 0.06 -0.86 -0.03 -0.55 0.98 0.00 0.00 173.24 172.84 1itc s SER 515 N -3.12 4.92 0.00 7.02 0.15 -1.26 -0.85 113.70 120.56 1itc s SER 515 Ca 0.34 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 57.03 1itc s SER 515 Cb 0.06 -1.26 0.36 0.00 -1.71 0.00 0.00 66.02 63.47 1itc s SER 515 CO 0.09 0.31 0.82 1.87 1.20 0.00 0.00 173.24 177.54