#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0e h ALA 2 N 0.00 0.86 -0.44 0.00 0.00 -1.95 -2.39 119.26 115.33 1u0e h ALA 2 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u0e h ALA 2 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u0e h ALA 2 CO 0.00 -0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.72 1u0e h LEU 3 N 0.56 0.48 -1.29 0.00 5.85 -1.86 -2.41 115.31 116.64 1u0e h LEU 3 Ca 0.31 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1u0e h LEU 3 Cb 0.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1u0e h LEU 3 CO -0.24 0.35 -0.32 0.71 -0.34 0.00 0.00 178.44 178.60 1u0e h THR 4 N 0.58 0.98 -0.00 1.05 1.35 -1.83 -2.27 112.91 112.75 1u0e h THR 4 Ca 0.17 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1u0e h THR 4 Cb -0.04 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1u0e h THR 4 CO -0.05 0.31 -0.20 0.54 -0.25 0.00 0.00 175.52 175.88 1u0e n ARG 5 N -3.79 0.46 -2.66 4.72 5.12 -0.96 -4.72 116.66 114.82 1u0e n ARG 5 Ca -0.01 -0.19 -0.42 0.00 -1.93 0.00 0.00 57.85 55.29 1u0e n ARG 5 Cb 0.40 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.18 1u0e n ARG 5 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1u0e s ASN 6 N -2.67 7.23 0.36 0.55 3.84 -0.86 -4.94 114.94 118.45 1u0e s ASN 6 Ca 0.22 1.57 0.06 0.00 0.21 0.00 0.00 52.86 54.92 1u0e s ASN 6 Cb 0.19 -2.56 0.68 0.00 -0.55 0.00 0.00 41.25 39.01 1u0e s ASN 6 CO 0.54 -0.46 1.90 -0.65 -2.79 0.00 0.00 177.10 175.64 1u0e h PRO 7 N 7.13 0.44 -0.44 0.43 0.11 -1.89 -1.54 132.00 136.25 1u0e h PRO 7 Ca -0.32 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1u0e h PRO 7 Cb 1.15 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1u0e h PRO 7 CO 0.85 0.48 -0.05 1.96 -0.21 0.00 0.00 178.00 181.04 1u0e h GLN 8 N 0.42 0.74 -0.01 1.05 7.50 -1.94 -0.80 115.11 122.07 1u0e h GLN 8 Ca 0.09 -0.21 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 1u0e h GLN 8 Cb 0.31 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 1u0e h GLN 8 CO 0.01 0.78 -0.00 0.35 -1.50 0.00 0.00 178.83 178.47 1u0e h PHE 9 N 0.68 0.02 -0.86 2.96 3.57 -1.72 -1.73 116.94 119.87 1u0e h PHE 9 Ca 0.13 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1u0e h PHE 9 Cb 0.49 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1u0e h PHE 9 CO 0.02 0.37 0.50 1.96 -2.23 0.00 0.00 178.31 178.94 1u0e h GLN 10 N -0.35 0.81 -0.39 1.11 4.20 -1.17 0.13 115.11 119.46 1u0e h GLN 10 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1u0e h GLN 10 Cb 0.37 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1u0e h GLN 10 CO 0.00 0.53 0.19 -0.22 -0.67 0.00 0.00 178.83 178.67 1u0e h LYS 11 N 0.83 0.55 -0.45 1.46 1.63 -1.11 0.11 116.57 119.59 1u0e h LYS 11 Ca 0.41 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1u0e h LYS 11 Cb 0.38 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1u0e h LYS 11 CO -0.25 0.48 0.26 1.25 -3.45 0.00 0.00 179.45 177.75 1u0e h LEU 12 N 0.49 0.42 -0.34 5.20 5.85 -0.61 -0.27 115.31 126.04 1u0e h LEU 12 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1u0e h LEU 12 Cb 0.11 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1u0e h LEU 12 CO -0.02 0.30 0.20 0.25 -0.34 0.00 0.00 178.44 178.83 1u0e h LEU 13 N 0.53 0.42 -1.00 2.25 5.85 -0.59 -0.89 115.31 121.88 1u0e h LEU 13 Ca 0.18 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1u0e h LEU 13 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1u0e h LEU 13 CO -0.09 0.36 0.01 -0.08 -0.34 0.00 0.00 178.44 178.30 1u0e h GLU 14 N 0.44 0.73 -0.29 1.25 4.57 -0.78 -1.09 114.58 119.41 1u0e h GLU 14 Ca 0.12 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1u0e h GLU 14 Cb 0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1u0e h GLU 14 CO -0.02 0.74 0.13 2.35 -1.18 0.00 0.00 179.01 181.03 1u0e h TRP 15 N 0.69 0.42 -0.22 0.92 7.01 -0.79 -2.21 115.95 121.78 1u0e h TRP 15 Ca 0.14 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.16 1u0e h TRP 15 Cb 0.41 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 1u0e h TRP 15 CO 0.02 0.40 -0.09 1.25 -2.79 0.00 0.00 178.44 177.23 1u0e h HIS 16 N 0.32 -0.20 -0.95 2.65 2.76 -0.83 0.10 115.15 119.01 1u0e h HIS 16 Ca 0.10 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 1u0e h HIS 16 Cb 0.14 0.12 -0.08 0.00 1.55 0.00 0.00 27.41 29.14 1u0e h HIS 16 CO -0.02 -0.14 0.59 -0.09 -1.30 0.00 0.00 177.93 176.97 1u0e h ARG 17 N -0.05 0.93 0.00 5.26 9.65 -1.08 -0.09 114.38 128.99 1u0e h ARG 17 Ca 0.11 -0.06 -0.19 0.00 -1.10 0.00 0.00 59.98 58.75 1u0e h ARG 17 Cb 0.22 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1u0e h ARG 17 CO -0.25 0.62 -1.24 0.00 2.80 0.00 0.00 179.97 181.89 1u0e h ALA 18 N 1.50 0.64 0.00 2.80 0.00 -0.91 -3.42 119.26 119.87 1u0e h ALA 18 Ca 0.46 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1u0e h ALA 18 Cb 0.40 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1u0e h ALA 18 CO -0.25 1.04 -0.47 0.09 0.00 0.00 0.00 179.25 179.66 1u0e n ASN 19 N -3.05 2.36 -0.23 0.00 3.02 0.32 -4.84 115.26 112.85 1u0e n ASN 19 Ca -0.08 -0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 1u0e n ASN 19 Cb 0.88 0.66 0.03 0.00 -0.61 0.00 0.00 39.78 40.73 1u0e n ASN 19 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1u0e h SER 20 N 0.00 1.05 -0.08 6.41 4.64 -1.12 -1.95 113.55 122.51 1u0e h SER 20 Ca 0.00 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1u0e h SER 20 Cb 0.00 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1u0e h SER 20 CO 0.00 1.07 0.10 0.00 -0.87 0.00 0.00 176.83 177.13 1u0e h ALA 21 N 1.02 1.56 0.00 5.18 0.00 -1.88 -0.50 119.26 124.63 1u0e h ALA 21 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1u0e h ALA 21 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u0e h ALA 21 CO 0.02 -0.14 -0.04 -0.91 0.00 0.00 0.00 179.25 178.17 1u0e h ASN 22 N 0.00 0.00 -3.00 0.00 -0.26 -1.69 -3.45 115.58 107.18 1u0e h ASN 22 Ca 0.04 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.20 1u0e h ASN 22 Cb 0.24 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.45 1u0e h ASN 22 CO -0.00 0.04 0.84 -0.76 -1.06 0.00 0.00 177.43 176.49 1u0e s LEU 23 N -6.24 4.16 -0.10 1.61 1.43 -0.20 -5.00 118.68 114.34 1u0e s LEU 23 Ca 0.06 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1u0e s LEU 23 Cb 0.06 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1u0e s LEU 23 CO 0.66 -0.71 -0.14 -0.54 0.23 0.00 0.00 176.35 175.85 1u0e s LYS 24 N 3.25 2.08 0.20 1.70 -0.14 -1.26 -5.04 119.74 120.52 1u0e s LYS 24 Ca 0.51 -0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 54.49 1u0e s LYS 24 Cb -0.19 -1.78 0.13 0.00 -1.68 0.00 0.00 37.83 34.31 1u0e s LYS 24 CO 0.12 -0.06 1.86 -0.07 -0.76 0.00 0.00 175.35 176.44 1u0e h LEU 25 N 7.38 0.74 -0.40 3.17 3.38 -1.91 -1.23 115.31 126.44 1u0e h LEU 25 Ca -0.31 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1u0e h LEU 25 Cb 1.17 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1u0e h LEU 25 CO 0.48 0.53 -0.02 0.03 0.09 0.00 0.00 178.44 179.55 1u0e h ARG 26 N 0.88 0.08 -0.57 1.13 3.08 -1.96 -1.55 114.38 115.47 1u0e h ARG 26 Ca 0.25 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 1u0e h ARG 26 Cb -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1u0e h ARG 26 CO -0.07 0.05 -0.02 0.93 -1.07 0.00 0.00 179.97 179.79 1u0e h GLU 27 N 0.08 1.01 -0.62 0.04 5.08 -1.92 -1.49 114.58 116.76 1u0e h GLU 27 Ca 0.20 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1u0e h GLU 27 Cb 0.28 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1u0e h GLU 27 CO -0.34 1.00 0.28 -0.07 -1.00 0.00 0.00 179.01 178.88 1u0e h LEU 28 N 0.92 0.79 -0.11 1.33 3.38 -0.69 -0.70 115.31 120.23 1u0e h LEU 28 Ca 0.16 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 1u0e h LEU 28 Cb 0.57 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u0e h LEU 28 CO 0.03 0.69 -1.01 -0.26 0.09 0.00 0.00 178.44 177.98 1u0e h PHE 29 N 0.87 0.55 -0.69 1.13 -1.00 -1.07 -3.16 116.94 113.57 1u0e h PHE 29 Ca 0.21 -0.33 -0.07 0.00 2.81 0.00 0.00 57.97 60.59 1u0e h PHE 29 Cb 0.12 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 1u0e h PHE 29 CO 0.01 1.17 0.14 0.93 -1.61 0.00 0.00 178.31 178.95 1u0e h GLU 30 N 0.18 1.13 0.00 1.51 5.08 -0.90 -3.03 114.58 118.54 1u0e h GLU 30 Ca -0.09 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1u0e h GLU 30 Cb 1.67 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1u0e h GLU 30 CO 0.17 1.01 0.00 0.00 -1.00 0.00 0.00 179.01 179.19 1u0e h ALA 31 N 1.07 1.00 -2.68 3.43 0.00 -1.21 -3.42 119.26 117.45 1u0e h ALA 31 Ca 0.21 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.63 1u0e h ALA 31 Cb 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.81 1u0e h ALA 31 CO 0.01 0.00 -0.75 0.34 0.00 0.00 0.00 179.25 178.84 1u0e s ASP 32 N -5.39 3.20 0.52 0.00 2.15 -1.15 -5.00 116.67 111.01 1u0e s ASP 32 Ca 0.06 -1.19 0.31 0.00 0.43 0.00 0.00 52.55 52.16 1u0e s ASP 32 Cb 0.08 -0.20 1.33 0.00 -0.30 0.00 0.00 42.92 43.83 1u0e s ASP 32 CO 0.59 -0.43 1.98 1.55 -0.17 0.00 0.00 175.17 178.69 1u0e h PRO 33 N 8.38 0.00 -0.37 4.34 0.13 -1.83 -2.52 132.00 140.14 1u0e h PRO 33 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1u0e h PRO 33 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1u0e h PRO 33 CO 0.42 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.67 1u0e n GLU 34 N -3.26 1.74 -0.04 0.86 -0.58 -1.26 -4.56 120.64 113.53 1u0e n GLU 34 Ca -0.00 -0.95 -0.09 0.00 -0.42 0.00 0.00 57.16 55.70 1u0e n GLU 34 Cb 0.31 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 1u0e n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1u0e h ARG 35 N 1.48 0.06 -0.87 3.49 2.43 -1.80 -0.61 114.38 118.56 1u0e h ARG 35 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1u0e h ARG 35 Cb 0.47 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1u0e h ARG 35 CO 0.03 0.04 0.57 0.35 -1.51 0.00 0.00 179.97 179.45 1u0e h PHE 36 N 0.06 1.07 -0.84 2.20 3.57 -1.85 -1.34 116.94 119.81 1u0e h PHE 36 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1u0e h PHE 36 Cb 0.11 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1u0e h PHE 36 CO -0.17 0.64 0.43 -0.91 -2.23 0.00 0.00 178.31 176.07 1u0e h ASN 37 N 1.13 1.07 0.54 0.41 2.35 -1.48 -3.10 115.58 116.51 1u0e h ASN 37 Ca 0.33 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1u0e h ASN 37 Cb -0.06 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.04 1u0e h ASN 37 CO -0.09 0.88 -0.85 0.59 -1.65 0.00 0.00 177.43 176.31 1u0e n ASN 38 N -4.36 0.63 -2.22 5.81 3.02 -0.48 -4.12 115.26 113.55 1u0e n ASN 38 Ca 0.08 -0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.22 1u0e n ASN 38 Cb 0.12 0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1u0e n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1u0e n PHE 39 N -1.92 3.00 -3.65 3.10 3.01 -0.53 -5.00 117.46 115.47 1u0e n PHE 39 Ca 0.03 -2.56 -0.11 0.00 1.01 0.00 0.00 57.45 55.82 1u0e n PHE 39 Cb 0.42 -0.40 -0.05 0.00 -0.01 0.00 0.00 39.48 39.44 1u0e n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1u0e s SER 40 N -3.32 -0.23 -0.17 4.37 1.04 -1.18 -1.99 113.70 112.22 1u0e s SER 40 Ca 0.51 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.68 1u0e s SER 40 Cb 0.42 0.46 0.04 0.00 0.10 0.00 0.00 66.02 67.04 1u0e s SER 40 CO -0.05 -0.80 -0.04 -0.76 0.98 0.00 0.00 173.24 172.56 1u0e s LEU 41 N -2.62 1.56 -0.62 2.42 1.43 -0.36 -4.98 118.68 115.51 1u0e s LEU 41 Ca 0.01 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 1u0e s LEU 41 Cb 0.01 -0.87 0.13 0.00 0.03 0.00 0.00 46.19 45.49 1u0e s LEU 41 CO -0.10 -0.20 0.67 0.21 0.23 0.00 0.00 176.35 177.16 1u0e s ASN 42 N 1.66 6.27 -0.29 2.29 3.84 -1.26 -0.80 114.94 126.64 1u0e s ASN 42 Ca 0.00 -1.71 -0.22 0.00 0.21 0.00 0.00 52.86 51.15 1u0e s ASN 42 Cb -0.15 -2.27 -0.01 0.00 -0.55 0.00 0.00 41.25 38.27 1u0e s ASN 42 CO -0.08 -0.98 0.70 -0.76 -2.79 0.00 0.00 177.10 173.19 1u0e s LEU 43 N 2.08 4.10 -0.45 3.21 1.43 0.19 -4.94 118.68 124.31 1u0e s LEU 43 Ca 0.10 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.63 1u0e s LEU 43 Cb -0.24 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1u0e s LEU 43 CO 0.03 -0.50 0.54 0.21 0.23 0.00 0.00 176.35 176.86 1u0e s ASN 44 N 1.57 6.23 0.00 2.29 3.84 -1.26 -0.63 114.94 126.98 1u0e s ASN 44 Ca 0.28 -0.68 0.28 0.00 0.21 0.00 0.00 52.86 52.96 1u0e s ASN 44 Cb -0.15 -2.27 1.09 0.00 -0.55 0.00 0.00 41.25 39.38 1u0e s ASN 44 CO 0.11 -0.72 1.78 0.35 -2.79 0.00 0.00 177.10 175.83 1u0e n THR 45 N 5.59 0.00 -0.78 -5.21 -2.24 -0.80 -4.91 114.28 105.92 1u0e n THR 45 Ca -0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1u0e n THR 45 Cb 0.47 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1u0e n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1u0e n ASN 46 N -1.02 -0.76 -1.37 3.42 5.15 -1.26 -4.78 115.26 114.64 1u0e n ASN 46 Ca 0.13 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.12 1u0e n ASN 46 Cb 0.30 -1.42 0.09 0.00 -0.53 0.00 0.00 39.78 38.22 1u0e n ASN 46 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1u0e n HIS 47 N -2.08 0.42 0.00 1.20 8.25 -1.26 -5.09 115.22 116.66 1u0e n HIS 47 Ca 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1u0e n HIS 47 Cb 0.04 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1u0e n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u0e n GLY 48 N -0.34 3.11 3.80 -1.41 0.00 -1.26 -4.80 105.19 104.29 1u0e n GLY 48 Ca 0.15 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1u0e n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0e s HIS 49 N -2.87 3.33 -0.25 1.61 3.76 -1.26 -1.91 115.29 117.71 1u0e s HIS 49 Ca 0.00 0.23 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1u0e s HIS 49 Cb 0.00 -1.75 0.05 0.00 1.11 0.00 0.00 32.58 31.99 1u0e s HIS 49 CO 0.00 0.57 -0.13 0.42 -0.85 0.00 0.00 174.74 174.75 1u0e s ILE 50 N -1.22 2.16 -0.31 0.60 1.01 0.19 -1.63 121.20 122.01 1u0e s ILE 50 Ca 0.24 -1.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.21 1u0e s ILE 50 Cb -0.12 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1u0e s ILE 50 CO 0.15 0.08 0.46 -0.22 0.00 0.00 0.00 174.94 175.40 1u0e s LEU 51 N 1.14 4.20 -0.52 2.97 2.96 0.84 -0.63 118.68 129.64 1u0e s LEU 51 Ca -0.06 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 1u0e s LEU 51 Cb -0.19 -2.53 0.13 0.00 0.50 0.00 0.00 46.19 44.11 1u0e s LEU 51 CO -0.06 -0.34 0.43 -0.69 -1.32 0.00 0.00 176.35 174.37 1u0e s VAL 52 N 2.24 4.67 -0.52 1.68 1.01 0.02 -1.42 120.40 128.08 1u0e s VAL 52 Ca 0.17 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 1u0e s VAL 52 Cb -0.16 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.29 1u0e s VAL 52 CO 0.11 -0.83 0.52 -0.62 0.00 0.00 0.00 175.10 174.28 1u0e s ASP 53 N 2.97 6.18 -0.27 3.32 2.15 -0.05 -1.22 116.67 129.74 1u0e s ASP 53 Ca 0.06 -1.42 0.12 0.00 0.43 0.00 0.00 52.55 51.73 1u0e s ASP 53 Cb -0.27 -2.23 0.63 0.00 -0.30 0.00 0.00 42.92 40.75 1u0e s ASP 53 CO 0.00 -0.84 1.61 0.00 -0.17 0.00 0.00 175.17 175.78 1u0e n TYR 54 N 5.58 1.68 0.16 -5.34 0.18 -0.84 -1.50 117.16 117.08 1u0e n TYR 54 Ca -0.11 -1.17 0.03 0.00 1.88 0.00 0.00 57.90 58.53 1u0e n TYR 54 Cb 0.43 -0.52 0.17 0.00 -0.38 0.00 0.00 39.34 39.03 1u0e n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1u0e h SER 55 N 2.08 0.00 -0.15 9.48 4.64 -1.69 -3.12 113.55 124.79 1u0e h SER 55 Ca 0.16 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1u0e h SER 55 Cb 1.90 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.95 1u0e h SER 55 CO 0.50 0.48 0.11 0.29 -0.87 0.00 0.00 176.83 177.34 1u0e n LYS 56 N -3.39 1.21 -4.17 4.77 5.02 -1.26 -4.86 118.16 115.48 1u0e n LYS 56 Ca 0.01 -0.46 -0.26 0.00 -2.02 0.00 0.00 58.31 55.57 1u0e n LYS 56 Cb 0.64 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 34.40 1u0e n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1u0e s ASN 57 N 0.92 4.98 -1.55 4.39 0.01 -1.18 -1.89 114.94 120.62 1u0e s ASN 57 Ca 0.09 -0.33 -0.11 0.00 -0.71 0.00 0.00 52.86 51.80 1u0e s ASN 57 Cb 0.07 -1.13 -0.05 0.00 0.41 0.00 0.00 41.25 40.55 1u0e s ASN 57 CO 0.01 0.08 2.72 0.18 -1.51 0.00 0.00 177.10 178.58 1u0e n LEU 58 N -0.22 8.09 -4.05 0.60 4.77 -1.26 -4.83 117.00 120.10 1u0e n LEU 58 Ca -0.09 -4.25 -0.08 0.00 -0.03 0.00 0.00 56.01 51.56 1u0e n LEU 58 Cb 0.55 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1u0e n LEU 58 CO 0.40 1.74 -0.36 0.68 -1.33 0.00 0.00 177.39 178.52 1u0e s VAL 59 N 2.53 0.21 0.00 4.08 -7.23 -1.26 -5.09 120.40 113.64 1u0e s VAL 59 Ca 0.62 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1u0e s VAL 59 Cb 0.17 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 36.04 1u0e s VAL 59 CO -0.07 -0.81 0.00 -0.46 -0.31 0.00 0.00 175.10 173.46 1u0e n ASN 60 N 0.65 0.69 -0.04 4.85 0.23 -1.26 -5.01 115.26 115.37 1u0e n ASN 60 Ca -0.18 -0.98 -0.08 0.00 -0.53 0.00 0.00 54.58 52.81 1u0e n ASN 60 Cb 0.59 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 1u0e n ASN 60 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1u0e h LYS 61 N 0.00 -0.06 -0.30 -3.83 3.64 -2.01 -1.92 116.57 112.09 1u0e h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1u0e h LYS 61 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1u0e h LYS 61 CO 0.00 -0.04 0.19 1.49 -2.27 0.00 0.00 179.45 178.82 1u0e h GLU 62 N -0.07 0.40 -0.28 1.90 4.81 -1.99 -1.87 114.58 117.48 1u0e h GLU 62 Ca 0.11 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1u0e h GLU 62 Cb 0.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1u0e h GLU 62 CO -0.25 0.28 0.08 0.28 -0.73 0.00 0.00 179.01 178.66 1u0e h VAL 63 N 0.40 0.90 -0.72 0.32 2.07 -1.89 0.16 116.25 117.49 1u0e h VAL 63 Ca 0.11 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1u0e h VAL 63 Cb -0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1u0e h VAL 63 CO -0.02 0.04 0.39 0.24 0.02 0.00 0.00 177.57 178.24 1u0e h MET 64 N 0.19 0.99 -0.26 1.57 2.86 -1.23 0.54 114.93 119.59 1u0e h MET 64 Ca 0.13 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1u0e h MET 64 Cb 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1u0e h MET 64 CO -0.15 0.73 0.09 1.96 1.06 0.00 0.00 176.91 180.60 1u0e h GLN 65 N 1.00 0.40 -0.74 1.72 4.20 -0.69 -0.47 115.11 120.53 1u0e h GLN 65 Ca 0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1u0e h GLN 65 Cb 0.02 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1u0e h GLN 65 CO -0.04 0.45 0.43 0.52 -0.67 0.00 0.00 178.83 179.52 1u0e h MET 66 N 0.27 1.01 -0.12 1.46 2.86 -0.11 -1.41 114.93 118.88 1u0e h MET 66 Ca 0.09 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1u0e h MET 66 Cb 0.21 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1u0e h MET 66 CO -0.00 0.72 -0.12 -0.07 1.06 0.00 0.00 176.91 178.49 1u0e h LEU 67 N 1.02 0.31 -0.99 1.22 3.38 -0.63 -2.13 115.31 117.49 1u0e h LEU 67 Ca 0.26 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1u0e h LEU 67 Cb -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1u0e h LEU 67 CO -0.05 0.74 0.65 0.58 0.09 0.00 0.00 178.44 180.45 1u0e h VAL 68 N -0.10 1.15 -0.69 1.22 2.07 -0.97 -1.37 116.25 117.55 1u0e h VAL 68 Ca 0.02 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1u0e h VAL 68 Cb 0.65 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1u0e h VAL 68 CO 0.03 0.22 0.31 -0.33 0.02 0.00 0.00 177.57 177.83 1u0e h GLU 69 N 1.23 1.01 -0.56 1.57 4.39 -1.22 -1.54 114.58 119.46 1u0e h GLU 69 Ca 0.40 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1u0e h GLU 69 Cb 0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1u0e h GLU 69 CO -0.14 0.81 0.36 1.25 -1.16 0.00 0.00 179.01 180.14 1u0e h LEU 70 N 0.97 0.61 -0.64 1.33 5.85 -0.87 -0.83 115.31 121.74 1u0e h LEU 70 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1u0e h LEU 70 Cb 0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1u0e h LEU 70 CO -0.03 0.44 0.39 0.00 -0.34 0.00 0.00 178.44 178.91 1u0e h ALA 71 N 1.22 0.84 -0.05 1.25 0.00 -0.76 -1.10 119.26 120.65 1u0e h ALA 71 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1u0e h ALA 71 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u0e h ALA 71 CO -0.06 0.14 0.02 0.87 0.00 0.00 0.00 179.25 180.22 1u0e h LYS 72 N 0.77 0.08 0.00 0.00 1.57 -0.98 -2.32 116.57 115.69 1u0e h LYS 72 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1u0e h LYS 72 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1u0e h LYS 72 CO -0.11 0.20 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 1u0e n SER 73 N -4.97 0.00 -0.90 0.86 3.41 -0.34 -1.61 113.62 110.07 1u0e n SER 73 Ca -0.06 -0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1u0e n SER 73 Cb 0.10 -0.20 0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1u0e n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u0e n ARG 74 N -1.20 2.19 -1.09 4.33 5.12 -0.44 -4.98 116.66 120.59 1u0e n ARG 74 Ca 0.14 -1.81 0.00 0.00 -1.93 0.00 0.00 57.85 54.25 1u0e n ARG 74 Cb 0.16 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1u0e n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u0e n GLY 75 N 1.35 0.64 0.33 -0.13 0.00 -0.63 -4.74 105.19 102.02 1u0e n GLY 75 Ca 0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1u0e n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u0e h VAL 76 N 0.00 1.22 -0.51 1.61 2.07 -1.59 -0.55 116.25 118.50 1u0e h VAL 76 Ca 0.00 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1u0e h VAL 76 Cb 0.34 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1u0e h VAL 76 CO 0.00 0.22 0.23 -0.33 0.02 0.00 0.00 177.57 177.71 1u0e h GLU 77 N 1.16 0.75 -0.40 1.57 5.08 -1.86 -1.63 114.58 119.25 1u0e h GLU 77 Ca 0.31 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1u0e h GLU 77 Cb -0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1u0e h GLU 77 CO -0.07 0.64 -0.06 0.00 -1.00 0.00 0.00 179.01 178.53 1u0e h ALA 78 N 1.07 0.55 -0.61 3.43 0.00 -1.83 -2.69 119.26 119.17 1u0e h ALA 78 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1u0e h ALA 78 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1u0e h ALA 78 CO -0.02 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.92 1u0e h ALA 79 N 0.86 0.79 -0.31 0.00 0.00 -1.02 -1.32 119.26 118.26 1u0e h ALA 79 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u0e h ALA 79 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u0e h ALA 79 CO 0.03 0.35 0.21 -0.09 0.00 0.00 0.00 179.25 179.74 1u0e h ARG 80 N 0.84 0.41 -0.80 0.00 2.43 -1.27 -0.08 114.38 115.91 1u0e h ARG 80 Ca 0.21 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1u0e h ARG 80 Cb 0.10 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1u0e h ARG 80 CO -0.03 0.27 0.48 -0.44 -1.51 0.00 0.00 179.97 178.74 1u0e h ASP 81 N 0.42 0.95 -0.67 -3.80 5.19 -1.16 -1.69 116.42 115.65 1u0e h ASP 81 Ca 0.11 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1u0e h ASP 81 Cb -0.05 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 1u0e h ASP 81 CO -0.03 0.73 0.31 0.78 -3.12 0.00 0.00 179.24 177.91 1u0e h ASN 82 N 1.10 0.90 0.23 6.45 -0.26 -0.67 -1.72 115.58 121.61 1u0e h ASN 82 Ca 0.29 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1u0e h ASN 82 Cb -0.05 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 1u0e h ASN 82 CO -0.05 0.79 -0.20 -0.03 -1.06 0.00 0.00 177.43 176.87 1u0e h MET 83 N 0.94 -0.44 0.00 0.81 4.05 -0.38 -1.95 114.93 117.96 1u0e h MET 83 Ca 0.23 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 1u0e h MET 83 Cb 0.14 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1u0e h MET 83 CO -0.03 -0.29 -0.07 0.74 0.23 0.00 0.00 176.91 177.49 1u0e h PHE 84 N -0.46 0.00 -0.02 1.39 -1.00 -1.08 -2.68 116.94 113.10 1u0e h PHE 84 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u0e h PHE 84 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1u0e h PHE 84 CO -0.14 0.07 -0.12 -1.13 -1.61 0.00 0.00 178.31 175.39 1u0e n SER 85 N -3.34 1.86 0.00 2.17 3.41 -0.67 -4.94 113.62 112.11 1u0e n SER 85 Ca -0.01 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1u0e n SER 85 Cb 0.24 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1u0e n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0e n GLY 86 N 1.29 0.73 3.73 5.00 0.00 -1.01 -4.20 105.19 110.73 1u0e n GLY 86 Ca 0.15 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1u0e n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u0e s SER 87 N -2.08 4.67 -1.41 1.61 0.15 -0.74 -4.70 113.70 111.19 1u0e s SER 87 Ca 0.00 2.53 -0.12 0.00 0.70 0.00 0.00 55.95 59.06 1u0e s SER 87 Cb 0.00 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.78 1u0e s SER 87 CO 0.00 -1.96 2.15 0.29 1.20 0.00 0.00 173.24 174.92 1u0e n LYS 88 N -1.97 3.17 0.12 5.44 5.02 -1.26 -4.10 118.16 124.59 1u0e n LYS 88 Ca 0.15 -2.90 0.13 0.00 -2.02 0.00 0.00 58.31 53.67 1u0e n LYS 88 Cb 0.49 -3.14 0.41 0.00 -0.02 0.00 0.00 35.03 32.77 1u0e n LYS 88 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1u0e h ILE 89 N 3.84 0.00 -0.86 -0.18 3.07 -1.85 -3.34 117.51 118.19 1u0e h ILE 89 Ca 0.53 -0.47 -0.68 0.00 1.55 0.00 0.00 64.86 65.79 1u0e h ILE 89 Cb 0.61 1.42 -0.08 0.00 -0.27 0.00 0.00 36.82 38.50 1u0e h ILE 89 CO 1.79 0.00 2.22 -3.20 -1.05 0.00 0.00 178.15 177.92 1u0e n ASN 90 N -2.33 4.90 0.22 2.16 2.85 -0.68 -4.83 115.26 117.55 1u0e n ASN 90 Ca 0.05 -2.92 0.11 0.00 -0.11 0.00 0.00 54.58 51.71 1u0e n ASN 90 Cb 0.40 -1.74 0.29 0.00 1.24 0.00 0.00 39.78 39.97 1u0e n ASN 90 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1u0e h TYR 91 N 7.49 0.00 0.00 1.20 -0.00 -1.82 0.68 116.97 124.51 1u0e h TYR 91 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.00 1u0e h TYR 91 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.56 1u0e h TYR 91 CO 1.42 0.13 -0.87 1.79 -0.00 0.00 0.00 178.16 180.63 1u0e h THR 92 N 0.00 1.53 -0.02 -0.90 1.35 -1.93 -3.21 112.91 109.74 1u0e h THR 92 Ca -0.00 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 1u0e h THR 92 Cb 0.93 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1u0e h THR 92 CO 0.02 0.86 -0.31 -0.62 -0.25 0.00 0.00 175.52 175.21 1u0e n GLU 93 N -3.36 1.58 -3.53 4.72 1.02 -1.15 -5.01 120.64 114.91 1u0e n GLU 93 Ca 0.00 -1.28 -0.22 0.00 -0.02 0.00 0.00 57.16 55.65 1u0e n GLU 93 Cb 0.88 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1u0e n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1u0e n ASP 94 N 0.40 -5.90 -4.01 1.62 2.03 0.10 -5.02 116.55 105.77 1u0e n ASP 94 Ca 0.10 -0.78 -0.12 0.00 0.52 0.00 0.00 54.79 54.52 1u0e n ASP 94 Cb 0.50 -3.63 -0.12 0.00 -0.72 0.00 0.00 41.12 37.15 1u0e n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1u0e s ARG 95 N -5.01 0.41 0.88 -0.67 0.52 -0.46 -5.02 118.95 109.60 1u0e s ARG 95 Ca 0.28 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1u0e s ARG 95 Cb -0.09 -0.15 0.12 0.00 0.52 0.00 0.00 34.95 35.35 1u0e s ARG 95 CO 0.83 0.02 1.09 0.00 0.02 0.00 0.00 175.30 177.27 1u0e s ALA 96 N -1.23 1.71 -0.32 2.13 0.00 -1.26 -1.68 121.76 121.10 1u0e s ALA 96 Ca -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1u0e s ALA 96 Cb -0.09 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 19.97 1u0e s ALA 96 CO -0.00 -2.21 0.11 0.08 0.00 0.00 0.00 175.76 173.73 1u0e s VAL 97 N -3.00 1.01 -0.27 0.00 1.01 -1.26 -4.39 120.40 113.50 1u0e s VAL 97 Ca 0.63 -1.56 0.18 0.00 0.00 0.00 0.00 61.98 61.23 1u0e s VAL 97 Cb -0.17 -1.76 0.50 0.00 0.00 0.00 0.00 36.38 34.95 1u0e s VAL 97 CO 0.56 -0.69 1.13 0.18 0.00 0.00 0.00 175.10 176.28 1u0e n LEU 98 N 4.70 2.52 0.28 3.92 4.77 -0.48 -4.73 117.00 127.97 1u0e n LEU 98 Ca -0.01 -3.52 0.13 0.00 -0.03 0.00 0.00 56.01 52.58 1u0e n LEU 98 Cb 0.41 0.25 0.81 0.00 -2.33 0.00 0.00 43.42 42.56 1u0e n LEU 98 CO 0.13 1.34 1.11 1.12 -1.33 0.00 0.00 177.39 179.76 1u0e h HIS 99 N 2.50 0.00 0.00 -1.77 2.07 -1.87 -1.28 115.15 114.80 1u0e h HIS 99 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.50 1u0e h HIS 99 Cb 1.34 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 1u0e h HIS 99 CO 0.60 0.00 -0.13 -0.39 -3.07 0.00 0.00 177.93 174.94 1u0e h VAL 100 N 0.00 1.06 -0.27 6.12 -1.51 -1.95 -2.48 116.25 117.23 1u0e h VAL 100 Ca 0.01 -0.44 -0.12 0.00 -1.23 0.00 0.00 66.70 64.91 1u0e h VAL 100 Cb 0.03 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1u0e h VAL 100 CO -0.00 0.13 -0.33 0.00 -1.23 0.00 0.00 177.57 176.13 1u0e h ALA 101 N 1.87 0.92 -0.45 5.19 0.00 -1.60 -2.51 119.26 122.68 1u0e h ALA 101 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1u0e h ALA 101 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1u0e h ALA 101 CO 0.02 0.62 0.30 -0.07 0.00 0.00 0.00 179.25 180.12 1u0e h LEU 102 N 0.49 0.32 -3.12 0.00 3.38 -1.43 -2.27 115.31 112.68 1u0e h LEU 102 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u0e h LEU 102 Cb 0.81 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1u0e h LEU 102 CO 0.07 0.21 -0.00 -2.11 0.09 0.00 0.00 178.44 176.70 1u0e n ARG 103 N -4.47 2.06 -1.92 1.13 0.00 -1.18 -4.91 116.66 107.37 1u0e n ARG 103 Ca 0.06 -2.71 -0.35 0.00 -0.00 0.00 0.00 57.85 54.86 1u0e n ARG 103 Cb 0.26 -1.67 -0.05 0.00 -0.00 0.00 0.00 32.46 31.00 1u0e n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1u0e n ASN 104 N -1.00 3.28 0.28 2.89 5.15 -0.86 -4.34 115.26 120.67 1u0e n ASN 104 Ca 0.19 -2.74 0.14 0.00 -0.60 0.00 0.00 54.58 51.57 1u0e n ASN 104 Cb 0.76 -1.60 0.84 0.00 -0.53 0.00 0.00 39.78 39.26 1u0e n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1u0e h ARG 105 N 8.79 0.00 0.00 1.20 2.47 -1.89 -2.01 114.38 122.95 1u0e h ARG 105 Ca 0.32 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.01 1u0e h ARG 105 Cb 0.85 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1u0e h ARG 105 CO 1.46 0.05 -0.12 0.66 0.56 0.00 0.00 179.97 182.58 1u0e h SER 106 N 0.00 0.00 -0.08 7.04 4.64 -2.00 -3.47 113.55 119.69 1u0e h SER 106 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1u0e h SER 106 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1u0e h SER 106 CO 0.01 0.12 -0.03 0.59 -0.87 0.00 0.00 176.83 176.64 1u0e n ASN 107 N -3.20 -5.27 -4.67 4.97 3.02 -0.76 -4.96 115.26 104.40 1u0e n ASN 107 Ca 0.01 0.04 -0.50 0.00 -0.03 0.00 0.00 54.58 54.11 1u0e n ASN 107 Cb 0.44 -2.91 -0.05 0.00 -0.61 0.00 0.00 39.78 36.64 1u0e n ASN 107 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1u0e n THR 108 N -2.26 0.25 -1.64 3.41 -1.04 -1.26 -4.85 114.28 106.88 1u0e n THR 108 Ca -0.02 -0.04 -0.45 0.00 -2.04 0.00 0.00 64.05 61.49 1u0e n THR 108 Cb 0.40 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 1u0e n THR 108 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1u0e n PRO 109 N 4.67 1.76 -4.05 -2.82 -0.02 -1.26 -4.96 135.00 128.32 1u0e n PRO 109 Ca 0.21 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 62.01 1u0e n PRO 109 Cb 0.25 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 1u0e n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u0e s ILE 110 N -0.30 1.61 -0.16 4.25 1.01 -1.26 -5.03 121.20 121.32 1u0e s ILE 110 Ca 0.67 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 1u0e s ILE 110 Cb -0.70 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1u0e s ILE 110 CO 0.53 0.46 0.10 -0.54 0.00 0.00 0.00 174.94 175.49 1u0e s LYS 111 N 1.45 3.81 -0.14 2.79 1.02 -1.26 -0.85 119.74 126.56 1u0e s LYS 111 Ca 0.04 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.81 1u0e s LYS 111 Cb -0.13 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1u0e s LYS 111 CO -0.10 0.47 -0.21 0.08 -0.92 0.00 0.00 175.35 174.66 1u0e s VAL 112 N -0.15 1.98 -1.46 3.17 1.01 -0.21 -4.39 120.40 120.35 1u0e s VAL 112 Ca 0.09 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1u0e s VAL 112 Cb -0.12 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1u0e s VAL 112 CO 0.01 0.53 0.78 0.47 0.00 0.00 0.00 175.10 176.89 1u0e n ASP 113 N 4.10 -2.74 0.00 3.32 8.00 -1.26 -1.98 116.55 125.99 1u0e n ASP 113 Ca -0.20 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1u0e n ASP 113 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1u0e n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0e n GLY 114 N -1.67 0.77 3.17 0.44 0.00 -1.26 -5.01 105.19 101.63 1u0e n GLY 114 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1u0e n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0e s LYS 115 N -0.17 2.77 0.13 1.61 2.20 -0.84 -5.01 119.74 120.44 1u0e s LYS 115 Ca 0.00 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 1u0e s LYS 115 Cb 0.00 -2.14 -0.11 0.00 -1.51 0.00 0.00 37.83 34.07 1u0e s LYS 115 CO 0.00 0.12 1.82 -3.47 -0.36 0.00 0.00 175.35 173.46 1u0e n ASP 116 N 3.67 4.01 0.08 1.43 2.03 -1.26 -1.04 116.55 125.46 1u0e n ASP 116 Ca -0.20 1.00 0.12 0.00 0.52 0.00 0.00 54.79 56.24 1u0e n ASP 116 Cb 0.53 -1.55 0.25 0.00 -0.72 0.00 0.00 41.12 39.63 1u0e n ASP 116 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1u0e n VAL 117 N 4.57 0.45 -0.15 5.18 0.24 -0.03 -4.42 118.33 124.16 1u0e n VAL 117 Ca 0.18 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 62.13 1u0e n VAL 117 Cb 0.37 -0.29 0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1u0e n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1u0e h MET 118 N 0.00 0.55 -0.75 7.34 2.86 -1.91 -1.78 114.93 121.24 1u0e h MET 118 Ca 0.00 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.75 1u0e h MET 118 Cb 0.75 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.19 1u0e h MET 118 CO 0.00 0.36 0.29 -1.35 1.06 0.00 0.00 176.91 177.27 1u0e h PRO 119 N 0.57 0.41 -0.27 -0.22 0.11 -1.97 0.46 132.00 131.09 1u0e h PRO 119 Ca 0.19 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 1u0e h PRO 119 Cb 0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1u0e h PRO 119 CO -0.08 0.27 -0.20 0.93 -0.21 0.00 0.00 178.00 178.71 1u0e h GLU 120 N 0.43 0.61 -0.45 1.05 4.39 -1.78 -0.22 114.58 118.61 1u0e h GLU 120 Ca 0.41 -0.30 0.09 0.00 0.34 0.00 0.00 59.36 59.90 1u0e h GLU 120 Cb 0.63 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 1u0e h GLU 120 CO -0.41 0.89 -0.11 0.28 -1.16 0.00 0.00 179.01 178.50 1u0e h VAL 121 N 0.34 0.55 -0.00 3.13 2.07 -0.94 -2.16 116.25 119.24 1u0e h VAL 121 Ca 0.05 -0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 1u0e h VAL 121 Cb 0.74 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1u0e h VAL 121 CO 0.05 0.00 -0.67 0.78 0.02 0.00 0.00 177.57 177.75 1u0e h ASN 122 N 0.00 0.01 -0.28 0.57 2.35 -0.76 -1.08 115.58 116.40 1u0e h ASN 122 Ca 0.21 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1u0e h ASN 122 Cb 0.33 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1u0e h ASN 122 CO -0.46 0.68 0.12 -0.09 -1.65 0.00 0.00 177.43 176.02 1u0e h ARG 123 N 0.00 0.42 -0.64 0.81 2.43 -0.81 0.18 114.38 116.78 1u0e h ARG 123 Ca -0.01 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1u0e h ARG 123 Cb 1.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1u0e h ARG 123 CO 0.09 0.43 0.07 0.28 -1.51 0.00 0.00 179.97 179.33 1u0e h VAL 124 N 0.31 1.26 -0.73 0.20 2.07 -1.21 -1.63 116.25 116.52 1u0e h VAL 124 Ca 0.09 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1u0e h VAL 124 Cb 0.17 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1u0e h VAL 124 CO -0.01 0.40 0.45 -0.07 0.02 0.00 0.00 177.57 178.36 1u0e h LEU 125 N 0.99 0.73 -0.85 2.57 3.38 -1.02 -0.78 115.31 120.34 1u0e h LEU 125 Ca 0.19 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1u0e h LEU 125 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1u0e h LEU 125 CO 0.02 0.49 0.56 0.44 0.09 0.00 0.00 178.44 180.04 1u0e h ASP 126 N 0.87 0.95 -0.83 -0.43 3.45 -0.62 -1.21 116.42 118.61 1u0e h ASP 126 Ca 0.30 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.74 1u0e h ASP 126 Cb 0.07 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 1u0e h ASP 126 CO -0.13 0.68 0.51 0.50 -1.57 0.00 0.00 179.24 179.23 1u0e h LYS 127 N 1.12 1.11 -0.17 3.56 3.11 -0.85 -1.72 116.57 122.73 1u0e h LYS 127 Ca 0.32 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1u0e h LYS 127 Cb -0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 30.89 1u0e h LYS 127 CO -0.08 0.77 0.10 0.52 -2.81 0.00 0.00 179.45 177.95 1u0e h MET 128 N 1.13 0.23 -0.42 1.90 2.86 -0.64 -0.63 114.93 119.36 1u0e h MET 128 Ca 0.30 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.98 1u0e h MET 128 Cb -0.07 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.49 1u0e h MET 128 CO -0.06 0.21 0.09 -0.22 1.06 0.00 0.00 176.91 177.99 1u0e h LYS 129 N 0.19 0.22 -0.50 1.72 3.64 -1.08 0.33 116.57 121.08 1u0e h LYS 129 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1u0e h LYS 129 Cb 0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1u0e h LYS 129 CO -0.01 0.14 0.25 1.03 -2.27 0.00 0.00 179.45 178.59 1u0e h SER 130 N 0.22 0.65 -0.28 4.20 0.87 -1.18 -1.67 113.55 116.36 1u0e h SER 130 Ca 0.21 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1u0e h SER 130 Cb 0.25 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1u0e h SER 130 CO -0.27 0.58 0.07 0.15 -0.53 0.00 0.00 176.83 176.84 1u0e h PHE 131 N 0.67 0.13 -0.58 2.24 3.57 -0.76 -1.94 116.94 120.26 1u0e h PHE 131 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1u0e h PHE 131 Cb 0.10 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1u0e h PHE 131 CO -0.01 0.05 0.38 0.00 -2.23 0.00 0.00 178.31 176.50 1u0e h GLN 133 N 0.79 0.14 -0.06 0.00 -0.00 -1.13 0.75 115.11 115.61 1u0e h GLN 133 Ca 0.21 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1u0e h GLN 133 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.37 1u0e h GLN 133 CO -0.05 0.09 0.04 0.00 0.00 0.00 0.00 178.83 178.92 1u0e h ARG 134 N 0.14 0.08 -0.03 1.69 2.47 -0.90 -2.01 114.38 115.83 1u0e h ARG 134 Ca 0.15 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 1u0e h ARG 134 Cb 0.18 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1u0e h ARG 134 CO -0.21 0.09 -0.09 0.28 0.56 0.00 0.00 179.97 180.59 1u0e h VAL 135 N 0.06 1.46 -0.30 2.04 2.07 -1.07 0.01 116.25 120.51 1u0e h VAL 135 Ca 0.02 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 1u0e h VAL 135 Cb 0.02 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1u0e h VAL 135 CO -0.00 0.40 -0.11 0.03 0.02 0.00 0.00 177.57 177.90 1u0e h ARG 136 N -0.44 0.51 0.00 1.57 3.08 -0.88 -2.43 114.38 115.80 1u0e h ARG 136 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1u0e h ARG 136 Cb 0.70 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1u0e h ARG 136 CO 0.02 0.63 0.00 0.66 -1.07 0.00 0.00 179.97 180.21 1u0e h SER 137 N 0.48 0.00 0.00 7.04 4.64 -1.45 -3.46 113.55 120.79 1u0e h SER 137 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u0e h SER 137 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1u0e h SER 137 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1u0e n GLY 138 N 0.27 0.79 0.25 -0.77 0.00 -0.91 -4.94 105.19 99.88 1u0e n GLY 138 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1u0e n GLY 138 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0e h ASP 139 N 0.00 0.53 -2.83 1.61 3.32 -1.66 -3.41 116.42 113.98 1u0e h ASP 139 Ca 0.00 -0.16 -0.56 0.00 0.02 0.00 0.00 57.03 56.33 1u0e h ASP 139 Cb 0.00 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1u0e h ASP 139 CO 0.00 0.73 1.02 0.86 -1.72 0.00 0.00 179.24 180.13 1u0e s TRP 140 N -4.63 2.41 -0.00 4.55 -0.11 -0.06 -5.00 118.94 116.09 1u0e s TRP 140 Ca -0.07 0.66 0.00 0.00 1.22 0.00 0.00 56.10 57.91 1u0e s TRP 140 Cb 0.14 -3.79 -0.04 0.00 -1.50 0.00 0.00 33.47 28.28 1u0e s TRP 140 CO 0.79 -2.57 0.06 0.15 -4.62 0.00 0.00 176.95 170.76 1u0e s LYS 141 N 4.05 2.99 1.03 5.86 -0.14 -1.26 -3.80 119.74 128.47 1u0e s LYS 141 Ca 0.64 -0.52 -0.17 0.00 -1.36 0.00 0.00 55.97 54.56 1u0e s LYS 141 Cb -0.25 -2.81 0.24 0.00 -1.68 0.00 0.00 37.83 33.33 1u0e s LYS 141 CO 0.23 0.64 1.32 0.20 -0.76 0.00 0.00 175.35 176.99 1u0e s GLY 142 N -1.68 1.79 0.37 -3.33 0.00 0.41 -4.86 107.32 100.03 1u0e s GLY 142 Ca 0.22 -1.29 0.27 0.00 0.00 0.00 0.00 44.72 43.92 1u0e s GLY 142 CO 0.13 -0.44 1.81 0.10 0.00 0.00 0.00 173.10 174.70 1u0e h TYR 143 N -1.91 0.00 -0.17 1.90 -0.00 -1.89 0.79 116.97 115.69 1u0e h TYR 143 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1u0e h TYR 143 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 1u0e h TYR 143 CO -1.65 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 176.76 1u0e n THR 144 N -2.45 0.25 -0.42 -0.90 -2.24 -1.26 -4.97 114.28 102.30 1u0e n THR 144 Ca -0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1u0e n THR 144 Cb 0.12 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1u0e n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0e n GLY 145 N 1.14 0.77 3.93 3.38 0.00 0.27 -5.08 105.19 109.60 1u0e n GLY 145 Ca 0.14 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1u0e n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 146 N -0.69 3.48 0.57 1.61 1.02 -1.26 -4.73 119.74 119.74 1u0e s LYS 146 Ca 0.00 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.36 1u0e s LYS 146 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1u0e s LYS 146 CO 0.00 0.52 1.23 -1.12 -0.92 0.00 0.00 175.35 175.05 1u0e s SER 147 N -2.90 5.29 0.06 2.83 0.01 -1.26 -0.44 113.70 117.28 1u0e s SER 147 Ca 0.36 2.44 -0.30 0.00 1.31 0.00 0.00 55.95 59.75 1u0e s SER 147 Cb -0.12 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1u0e s SER 147 CO 0.28 -1.53 1.15 -0.63 0.41 0.00 0.00 173.24 172.92 1u0e s ILE 148 N -1.54 4.17 -0.01 1.44 -1.09 -1.25 -4.73 121.20 118.19 1u0e s ILE 148 Ca 0.75 1.58 0.08 0.00 -2.23 0.00 0.00 60.65 60.84 1u0e s ILE 148 Cb -0.32 -4.01 -0.13 0.00 -1.58 0.00 0.00 42.46 36.42 1u0e s ILE 148 CO 0.35 0.14 0.18 0.35 -1.23 0.00 0.00 174.94 174.72 1u0e n THR 149 N 3.79 0.02 -4.12 2.92 -2.24 -0.23 -4.87 114.28 109.55 1u0e n THR 149 Ca 0.08 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 1u0e n THR 149 Cb 0.47 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.82 1u0e n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u0e s ASP 150 N -2.99 0.70 -0.11 3.42 1.11 -1.05 -1.63 116.67 116.12 1u0e s ASP 150 Ca -0.03 -0.09 -0.01 0.00 0.18 0.00 0.00 52.55 52.59 1u0e s ASP 150 Cb 0.05 -0.26 -0.03 0.00 1.07 0.00 0.00 42.92 43.76 1u0e s ASP 150 CO 0.34 -0.02 -0.06 -0.63 1.18 0.00 0.00 175.17 175.99 1u0e s ILE 151 N 0.53 3.77 -0.25 0.77 -1.09 0.29 -0.71 121.20 124.51 1u0e s ILE 151 Ca -0.06 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1u0e s ILE 151 Cb -0.10 -2.60 0.06 0.00 -1.58 0.00 0.00 42.46 38.25 1u0e s ILE 151 CO -0.00 0.55 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.56 1u0e s ILE 152 N -0.22 1.81 -0.15 2.92 1.09 0.25 -0.59 121.20 126.31 1u0e s ILE 152 Ca 0.03 -1.46 -0.25 0.00 -1.10 0.00 0.00 60.65 57.87 1u0e s ILE 152 Cb -0.13 -2.04 -0.02 0.00 -1.06 0.00 0.00 42.46 39.22 1u0e s ILE 152 CO 0.03 -0.12 0.81 0.21 -0.10 0.00 0.00 174.94 175.77 1u0e s ASN 153 N 1.25 6.96 -0.22 3.58 2.47 -0.15 -0.10 114.94 128.73 1u0e s ASN 153 Ca -0.06 1.18 0.00 0.00 0.42 0.00 0.00 52.86 54.40 1u0e s ASN 153 Cb -0.19 -2.45 0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1u0e s ASN 153 CO -0.06 -0.35 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.21 1u0e s ILE 154 N 1.92 2.46 -0.01 -5.21 1.01 0.16 -0.65 121.20 120.90 1u0e s ILE 154 Ca 0.38 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1u0e s ILE 154 Cb -0.17 -2.20 0.12 0.00 0.01 0.00 0.00 42.46 40.21 1u0e s ILE 154 CO 0.14 0.30 1.27 -0.83 0.00 0.00 0.00 174.94 175.81 1u0e s GLY 155 N 1.28 -0.40 0.21 6.18 0.00 -0.99 -0.71 107.32 112.89 1u0e s GLY 155 Ca 0.01 0.66 0.08 0.00 0.00 0.00 0.00 44.72 45.46 1u0e s GLY 155 CO -0.08 0.16 -0.15 -0.26 0.00 0.00 0.00 173.10 172.78 1u0e s ILE 156 N -2.47 1.81 0.00 0.90 -4.36 -1.26 -4.08 121.20 111.74 1u0e s ILE 156 Ca 0.14 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1u0e s ILE 156 Cb 0.05 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1u0e s ILE 156 CO -0.04 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.18 1u0e n GLY 157 N -0.41 2.93 0.28 6.27 0.00 -1.26 -0.29 105.19 112.71 1u0e n GLY 157 Ca -0.08 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1u0e n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u0e h GLY 158 N 0.00 0.00 1.34 -0.02 0.00 -1.97 0.56 103.07 102.98 1u0e h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0e h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u0e n SER 159 N -3.79 0.00 0.03 0.19 7.64 0.60 -4.36 113.62 113.93 1u0e n SER 159 Ca -0.02 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1u0e n SER 159 Cb 0.15 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1u0e n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u0e n ASP 160 N -1.17 0.34 -0.35 6.43 2.03 -0.44 -4.55 116.55 118.85 1u0e n ASP 160 Ca 0.18 0.10 -0.02 0.00 0.52 0.00 0.00 54.79 55.56 1u0e n ASP 160 Cb 0.18 -0.07 0.10 0.00 -0.72 0.00 0.00 41.12 40.61 1u0e n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u0e h LEU 161 N 0.00 1.06 0.67 -2.67 3.38 -1.17 -1.12 115.31 115.47 1u0e h LEU 161 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u0e h LEU 161 Cb 0.44 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u0e h LEU 161 CO 0.00 0.76 -0.32 1.23 0.09 0.00 0.00 178.44 180.20 1u0e h GLY 162 N 1.25 -0.94 0.36 0.83 0.00 -1.79 0.32 103.07 103.10 1u0e h GLY 162 Ca 0.35 0.35 0.12 0.00 0.00 0.00 0.00 47.33 48.14 1u0e h GLY 162 CO -0.08 -0.34 0.43 -2.55 0.00 0.00 0.00 176.54 174.00 1u0e h PRO 163 N -1.13 0.65 0.33 4.80 0.11 -1.85 -0.27 132.00 134.63 1u0e h PRO 163 Ca -0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1u0e h PRO 163 Cb 0.69 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1u0e h PRO 163 CO 0.15 0.43 -0.20 1.25 -0.21 0.00 0.00 178.00 179.42 1u0e h LEU 164 N 0.67 -0.50 -0.64 2.35 6.46 -1.19 -1.42 115.31 121.03 1u0e h LEU 164 Ca 0.42 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.16 1u0e h LEU 164 Cb 0.51 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1u0e h LEU 164 CO -0.31 -0.32 0.21 -0.03 -0.62 0.00 0.00 178.44 177.37 1u0e h MET 165 N -0.51 0.99 -0.21 1.25 4.05 -0.42 -1.73 114.93 118.35 1u0e h MET 165 Ca -0.03 -0.21 -0.13 0.00 -0.28 0.00 0.00 59.70 59.05 1u0e h MET 165 Cb 0.42 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1u0e h MET 165 CO 0.04 0.86 -0.36 0.28 0.23 0.00 0.00 176.91 177.96 1u0e h VAL 166 N 0.93 1.33 -0.42 -5.77 2.07 -1.07 -0.30 116.25 113.01 1u0e h VAL 166 Ca 0.21 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 1u0e h VAL 166 Cb 0.28 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1u0e h VAL 166 CO -0.01 0.49 0.10 0.71 0.02 0.00 0.00 177.57 178.88 1u0e h THR 167 N 0.30 1.19 -0.26 2.57 1.35 -1.17 0.23 112.91 117.12 1u0e h THR 167 Ca 0.01 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 1u0e h THR 167 Cb 0.95 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1u0e h THR 167 CO 0.08 0.25 0.04 -0.33 -0.25 0.00 0.00 175.52 175.31 1u0e h GLU 168 N 0.62 0.44 -0.02 4.72 4.39 -1.19 -2.43 114.58 121.10 1u0e h GLU 168 Ca 0.14 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1u0e h GLU 168 Cb 0.24 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1u0e h GLU 168 CO -0.00 0.56 -0.39 0.00 -1.16 0.00 0.00 179.01 178.01 1u0e h ALA 169 N 0.86 1.31 -0.34 3.43 0.00 -0.58 -3.16 119.26 120.78 1u0e h ALA 169 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u0e h ALA 169 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u0e h ALA 169 CO 0.01 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1u0e n LEU 170 N -4.06 4.27 -0.31 0.00 4.77 0.03 -4.75 117.00 116.95 1u0e n LEU 170 Ca -0.02 -2.96 0.15 0.00 -0.03 0.00 0.00 56.01 53.15 1u0e n LEU 170 Cb 0.43 -0.57 0.34 0.00 -2.33 0.00 0.00 43.42 41.29 1u0e n LEU 170 CO 0.39 0.67 1.01 0.50 -1.33 0.00 0.00 177.39 178.63 1u0e h LYS 171 N 2.32 0.28 0.00 3.23 1.63 -1.40 0.78 116.57 123.41 1u0e h LYS 171 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1u0e h LYS 171 Cb 1.54 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 1u0e h LYS 171 CO 0.27 0.19 0.00 -1.35 -3.45 0.00 0.00 179.45 175.11 1u0e h PRO 172 N 0.29 0.00 -0.56 1.90 0.11 -1.89 -2.25 132.00 129.61 1u0e h PRO 172 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1u0e h PRO 172 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u0e h PRO 172 CO -0.61 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.84 1u0e n TYR 173 N -2.78 0.84 -0.37 0.65 4.02 0.27 -4.27 117.16 115.51 1u0e n TYR 173 Ca -0.02 -0.35 0.08 0.00 -0.01 0.00 0.00 57.90 57.61 1u0e n TYR 173 Cb 0.09 -0.13 0.24 0.00 -0.02 0.00 0.00 39.34 39.52 1u0e n TYR 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0e n SER 174 N 0.65 3.59 -4.73 7.72 3.41 -0.85 -4.41 113.62 119.00 1u0e n SER 174 Ca 0.16 -2.15 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 1u0e n SER 174 Cb 0.54 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1u0e n SER 174 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1u0e n LYS 175 N 0.86 2.78 -0.54 4.33 4.81 -1.26 -1.44 118.16 127.70 1u0e n LYS 175 Ca 0.18 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 1u0e n LYS 175 Cb 0.59 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1u0e n LYS 175 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u0e n GLY 176 N 3.10 1.47 3.95 3.14 0.00 -1.26 -5.02 105.19 110.57 1u0e n GLY 176 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1u0e n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0e s GLY 177 N -1.89 1.33 0.67 -0.02 0.00 -0.52 -4.95 107.32 101.93 1u0e s GLY 177 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.61 1u0e s GLY 177 CO 0.00 -0.92 1.10 2.56 0.00 0.00 0.00 173.10 175.85 1u0e s PRO 178 N -4.23 2.76 0.58 2.90 0.04 -1.26 -5.00 135.00 130.79 1u0e s PRO 178 Ca 0.39 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1u0e s PRO 178 Cb -0.09 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1u0e s PRO 178 CO 0.35 -1.27 1.28 1.03 0.04 0.00 0.00 177.00 178.42 1u0e s ARG 179 N -4.20 3.01 -0.05 4.56 0.52 -0.65 -4.74 118.95 117.41 1u0e s ARG 179 Ca 0.66 2.02 0.05 0.00 -0.52 0.00 0.00 55.73 57.94 1u0e s ARG 179 Cb -0.20 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1u0e s ARG 179 CO 0.43 -1.22 -0.20 0.54 0.02 0.00 0.00 175.30 174.87 1u0e s VAL 180 N -1.44 1.65 0.07 3.52 0.11 -1.26 -0.55 120.40 122.50 1u0e s VAL 180 Ca 0.75 -0.84 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1u0e s VAL 180 Cb -0.35 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 1u0e s VAL 180 CO 0.40 0.47 -0.20 0.26 -3.33 0.00 0.00 175.10 172.70 1u0e s TRP 181 N -0.01 1.70 -0.13 1.54 0.52 0.25 -4.97 118.94 117.83 1u0e s TRP 181 Ca -0.04 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.69 1u0e s TRP 181 Cb -0.12 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1u0e s TRP 181 CO 0.03 0.14 -0.17 -0.06 0.02 0.00 0.00 176.95 176.91 1u0e s PHE 182 N -1.01 2.23 -0.17 -1.98 0.40 -1.26 -0.98 117.98 115.21 1u0e s PHE 182 Ca 0.06 -1.14 -0.01 0.00 -0.60 0.00 0.00 56.93 55.24 1u0e s PHE 182 Cb -0.09 -1.58 -0.00 0.00 0.51 0.00 0.00 43.02 41.85 1u0e s PHE 182 CO 0.03 -0.58 -0.13 0.08 0.70 0.00 0.00 175.22 175.33 1u0e s VAL 183 N 1.09 2.86 0.00 -0.44 1.01 0.18 -4.97 120.40 120.13 1u0e s VAL 183 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1u0e s VAL 183 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1u0e s VAL 183 CO -0.05 0.50 0.00 -1.54 0.00 0.00 0.00 175.10 174.01 1u0e n SER 184 N 4.16 0.37 -4.77 3.32 3.41 -1.26 -2.34 113.62 116.51 1u0e n SER 184 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 1u0e n SER 184 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1u0e n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u0e s ASN 185 N -4.08 6.70 0.43 4.04 3.84 -1.26 -4.72 114.94 119.89 1u0e s ASN 185 Ca 0.00 2.72 0.14 0.00 0.21 0.00 0.00 52.86 55.93 1u0e s ASN 185 Cb 0.00 -2.65 0.94 0.00 -0.55 0.00 0.00 41.25 38.99 1u0e s ASN 185 CO 0.00 -0.61 1.96 -0.29 -2.79 0.00 0.00 177.10 175.37 1u0e h ILE 186 N 3.13 1.16 -1.00 -5.21 6.09 -1.98 -3.44 117.51 116.26 1u0e h ILE 186 Ca -0.49 -0.74 -0.76 0.00 -1.37 0.00 0.00 64.86 61.50 1u0e h ILE 186 Cb 1.23 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 1u0e h ILE 186 CO 0.68 0.21 1.06 -0.67 -3.07 0.00 0.00 178.15 176.36 1u0e n ASP 187 N -4.28 1.75 0.32 2.19 4.64 -1.26 -4.77 116.55 115.13 1u0e n ASP 187 Ca -0.02 0.88 0.20 0.00 -1.38 0.00 0.00 54.79 54.46 1u0e n ASP 187 Cb 0.27 -1.06 1.06 0.00 -1.04 0.00 0.00 41.12 40.35 1u0e n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1u0e h GLY 188 N 8.23 0.00 -0.20 0.27 0.00 -2.02 -0.10 103.07 109.24 1u0e h GLY 188 Ca -0.34 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.21 1u0e h GLY 188 CO 1.01 0.00 0.40 -0.84 0.00 0.00 0.00 176.54 177.11 1u0e h THR 189 N 0.00 0.47 0.29 4.70 2.02 -1.94 -0.68 112.91 117.78 1u0e h THR 189 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1u0e h THR 189 Cb 0.21 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1u0e h THR 189 CO -0.00 0.07 -0.14 -0.74 0.37 0.00 0.00 175.52 175.08 1u0e h HIS 190 N 0.40 -0.37 -0.37 3.16 2.76 -1.30 -0.62 115.15 118.81 1u0e h HIS 190 Ca 0.56 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.56 1u0e h HIS 190 Cb 1.08 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1u0e h HIS 190 CO -0.13 -0.13 -0.40 0.97 -1.30 0.00 0.00 177.93 176.94 1u0e h ILE 191 N -0.55 1.27 -0.50 6.26 6.09 -1.72 -2.79 117.51 125.57 1u0e h ILE 191 Ca -0.04 -1.57 -0.01 0.00 -1.37 0.00 0.00 64.86 61.87 1u0e h ILE 191 Cb 0.41 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 1u0e h ILE 191 CO 0.07 0.53 0.28 0.00 -3.07 0.00 0.00 178.15 175.95 1u0e h ALA 192 N 0.76 0.63 0.00 0.18 0.00 -1.02 0.36 119.26 120.17 1u0e h ALA 192 Ca 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1u0e h ALA 192 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u0e h ALA 192 CO 0.10 0.14 -0.55 1.57 0.00 0.00 0.00 179.25 180.51 1u0e h LYS 193 N 0.66 0.00 0.03 0.00 2.10 -1.16 -2.15 116.57 116.04 1u0e h LYS 193 Ca 0.18 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1u0e h LYS 193 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1u0e h LYS 193 CO -0.03 0.55 -0.01 1.15 -2.00 0.00 0.00 179.45 179.10 1u0e h THR 194 N 0.00 1.27 0.00 0.07 2.02 -1.18 -3.28 112.91 111.80 1u0e h THR 194 Ca -0.01 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1u0e h THR 194 Cb 1.14 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1u0e h THR 194 CO 0.07 0.24 -0.20 -0.07 0.37 0.00 0.00 175.52 175.93 1u0e h LEU 195 N -0.45 0.00 -2.35 2.58 3.38 -0.86 -2.24 115.31 115.37 1u0e h LEU 195 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1u0e h LEU 195 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1u0e h LEU 195 CO 0.01 0.20 -0.04 0.00 0.09 0.00 0.00 178.44 178.70 1u0e h ALA 196 N 1.80 1.35 -0.56 1.53 0.00 -1.45 -2.47 119.26 119.47 1u0e h ALA 196 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u0e h ALA 196 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u0e h ALA 196 CO 0.03 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1u0e n SER 197 N -3.64 3.47 -4.38 0.00 7.64 -0.84 -4.98 113.62 110.89 1u0e n SER 197 Ca -0.03 -1.98 -0.25 0.00 1.01 0.00 0.00 58.87 57.62 1u0e n SER 197 Cb 0.14 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1u0e n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0e s LEU 198 N -1.19 2.42 -0.15 -3.43 1.02 -0.93 -5.13 118.68 111.28 1u0e s LEU 198 Ca 0.42 -0.84 -0.04 0.00 0.02 0.00 0.00 54.13 53.69 1u0e s LEU 198 Cb 0.23 -1.02 -0.03 0.00 0.02 0.00 0.00 46.19 45.39 1u0e s LEU 198 CO 0.31 0.06 -0.03 -0.55 0.02 0.00 0.00 176.35 176.17 1u0e s SER 199 N -2.56 4.89 0.53 2.29 0.15 -1.26 -5.00 113.70 112.74 1u0e s SER 199 Ca 0.17 -0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.93 1u0e s SER 199 Cb -0.07 -1.77 1.36 0.00 -1.71 0.00 0.00 66.02 63.82 1u0e s SER 199 CO 0.08 0.18 2.11 -0.65 1.20 0.00 0.00 173.24 176.16 1u0e h PRO 200 N 6.60 0.00 0.00 5.44 0.11 -1.95 -1.91 132.00 140.30 1u0e h PRO 200 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1u0e h PRO 200 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u0e h PRO 200 CO 0.63 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.20 1u0e h GLU 201 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.30 114.58 115.44 1u0e h GLU 201 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1u0e h GLU 201 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1u0e h GLU 201 CO -0.00 0.15 -0.07 0.25 -1.00 0.00 0.00 179.01 178.33 1u0e n THR 202 N -3.46 0.67 -4.29 1.13 -2.24 -0.76 -4.37 114.28 100.97 1u0e n THR 202 Ca -0.01 -0.73 -0.34 0.00 -2.27 0.00 0.00 64.05 60.70 1u0e n THR 202 Cb 0.32 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1u0e n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u0e s SER 203 N -0.98 5.11 -0.15 3.42 0.01 -0.97 -1.06 113.70 119.08 1u0e s SER 203 Ca 0.05 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1u0e s SER 203 Cb 0.05 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.49 1u0e s SER 203 CO 0.00 0.21 -0.16 -0.22 0.41 0.00 0.00 173.24 173.48 1u0e s LEU 204 N 0.15 2.46 -0.15 2.44 2.96 0.11 -4.79 118.68 121.86 1u0e s LEU 204 Ca 0.01 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 1u0e s LEU 204 Cb -0.13 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1u0e s LEU 204 CO 0.02 0.09 0.17 -0.36 -1.32 0.00 0.00 176.35 174.95 1u0e s PHE 205 N 0.77 3.51 -0.25 5.38 0.40 0.10 -0.59 117.98 127.31 1u0e s PHE 205 Ca -0.06 0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1u0e s PHE 205 Cb -0.15 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.27 1u0e s PHE 205 CO 0.00 0.48 -0.01 0.42 0.70 0.00 0.00 175.22 176.81 1u0e s ILE 206 N -0.25 3.44 -0.41 0.64 1.01 0.86 -1.21 121.20 125.28 1u0e s ILE 206 Ca 0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1u0e s ILE 206 Cb -0.12 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.72 1u0e s ILE 206 CO 0.02 0.28 0.29 -0.63 0.00 0.00 0.00 174.94 174.90 1u0e s ILE 207 N 1.45 5.04 -0.38 2.92 -1.09 0.21 -0.66 121.20 128.69 1u0e s ILE 207 Ca 0.04 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 57.53 1u0e s ILE 207 Cb -0.16 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1u0e s ILE 207 CO -0.02 -0.35 0.21 0.00 -1.23 0.00 0.00 174.94 173.55 1u0e s ALA 208 N 1.63 3.26 -0.30 9.38 0.00 0.11 -1.01 121.76 134.83 1u0e s ALA 208 Ca 0.04 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.09 1u0e s ALA 208 Cb -0.20 -2.59 0.18 0.00 0.00 0.00 0.00 23.12 20.51 1u0e s ALA 208 CO 0.08 -1.43 1.01 0.45 0.00 0.00 0.00 175.76 175.87 1u0e s SER 209 N 1.62 -0.54 0.15 0.00 0.15 -0.06 -4.47 113.70 110.55 1u0e s SER 209 Ca 0.02 0.45 -0.21 0.00 0.70 0.00 0.00 55.95 56.90 1u0e s SER 209 Cb -0.20 1.50 0.04 0.00 -1.71 0.00 0.00 66.02 65.65 1u0e s SER 209 CO 0.06 -0.10 1.64 0.50 1.20 0.00 0.00 173.24 176.54 1u0e h LYS 210 N 7.83 -0.18 0.00 5.44 1.63 -1.95 -1.97 116.57 127.36 1u0e h LYS 210 Ca -0.15 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 1u0e h LYS 210 Cb 1.16 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1u0e h LYS 210 CO -0.01 -0.12 -0.26 1.79 -3.45 0.00 0.00 179.45 177.40 1u0e h THR 211 N -0.19 0.52 -2.12 1.00 1.35 -1.98 -2.61 112.91 108.88 1u0e h THR 211 Ca 0.15 -1.39 -0.36 0.00 -0.55 0.00 0.00 66.41 64.25 1u0e h THR 211 Cb 0.41 1.99 -0.09 0.00 -1.73 0.00 0.00 68.15 68.74 1u0e h THR 211 CO -0.38 0.25 -0.39 0.33 -0.25 0.00 0.00 175.52 175.08 1u0e n PHE 212 N -3.27 -0.60 -0.37 4.73 7.35 -0.74 -4.63 117.46 119.93 1u0e n PHE 212 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1u0e n PHE 212 Cb 0.53 -3.33 0.00 0.00 0.35 0.00 0.00 39.48 37.03 1u0e n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1u0e n THR 213 N -2.92 0.37 -1.68 -2.13 -2.24 -1.26 -4.94 114.28 99.48 1u0e n THR 213 Ca -0.19 -0.50 -0.49 0.00 -2.27 0.00 0.00 64.05 60.60 1u0e n THR 213 Cb 0.62 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 1u0e n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u0e n THR 214 N -0.19 0.55 0.01 4.28 -1.04 -1.26 -4.89 114.28 111.74 1u0e n THR 214 Ca 0.00 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 1u0e n THR 214 Cb 0.24 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 1u0e n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1u0e h GLN 215 N 9.03 -0.06 -0.11 -2.82 4.15 -1.98 0.23 115.11 123.54 1u0e h GLN 215 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1u0e h GLN 215 Cb 1.27 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 1u0e h GLN 215 CO 0.95 -0.04 0.05 0.93 -1.93 0.00 0.00 178.83 178.79 1u0e h GLU 216 N -0.06 0.16 -0.30 1.69 3.07 -1.95 -0.81 114.58 116.39 1u0e h GLU 216 Ca 0.05 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1u0e h GLU 216 Cb 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1u0e h GLU 216 CO -0.12 0.24 0.09 1.15 -1.40 0.00 0.00 179.01 178.97 1u0e h THR 217 N 0.05 1.21 -0.28 1.13 2.02 -1.85 -1.33 112.91 113.86 1u0e h THR 217 Ca 0.04 -0.67 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 1u0e h THR 217 Cb 0.14 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1u0e h THR 217 CO -0.00 0.22 -0.41 0.40 0.37 0.00 0.00 175.52 176.09 1u0e h ILE 218 N 0.32 1.29 -0.22 3.11 1.08 -0.96 0.07 117.51 122.21 1u0e h ILE 218 Ca 0.09 -1.59 -0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1u0e h ILE 218 Cb 0.26 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1u0e h ILE 218 CO -0.00 0.51 0.14 0.74 -0.69 0.00 0.00 178.15 178.85 1u0e h THR 219 N 0.56 1.08 -0.48 -0.27 2.02 -1.02 0.14 112.91 114.94 1u0e h THR 219 Ca 0.04 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1u0e h THR 219 Cb 0.95 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1u0e h THR 219 CO 0.09 0.08 0.27 0.78 0.37 0.00 0.00 175.52 177.10 1u0e h ASN 220 N 0.28 0.41 -0.51 4.18 2.35 -1.14 -0.92 115.58 120.23 1u0e h ASN 220 Ca 0.08 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1u0e h ASN 220 Cb 0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1u0e h ASN 220 CO -0.02 0.29 0.30 0.00 -1.65 0.00 0.00 177.43 176.36 1u0e h ALA 221 N 1.23 0.66 -0.46 -0.83 0.00 -0.67 -0.29 119.26 118.90 1u0e h ALA 221 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1u0e h ALA 221 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1u0e h ALA 221 CO -0.11 -0.00 -0.07 0.93 0.00 0.00 0.00 179.25 179.99 1u0e h GLU 222 N 0.59 0.82 -0.37 0.00 5.08 -0.40 -0.32 114.58 119.99 1u0e h GLU 222 Ca 0.21 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1u0e h GLU 222 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1u0e h GLU 222 CO -0.10 0.87 0.14 1.15 -1.00 0.00 0.00 179.01 180.06 1u0e h THR 223 N 0.74 1.20 -0.70 1.13 2.02 -0.81 -0.93 112.91 115.56 1u0e h THR 223 Ca 0.13 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.77 1u0e h THR 223 Cb 0.56 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 1u0e h THR 223 CO 0.03 0.22 0.37 0.00 0.37 0.00 0.00 175.52 176.51 1u0e h ALA 224 N 0.98 0.96 -0.60 6.16 0.00 -0.76 -1.86 119.26 124.14 1u0e h ALA 224 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1u0e h ALA 224 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1u0e h ALA 224 CO -0.01 -0.00 0.20 -0.22 0.00 0.00 0.00 179.25 179.21 1u0e h LYS 225 N 0.64 0.93 -0.46 0.00 3.64 -0.78 0.31 116.57 120.85 1u0e h LYS 225 Ca 0.33 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1u0e h LYS 225 Cb 0.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1u0e h LYS 225 CO -0.24 0.82 0.30 1.49 -2.27 0.00 0.00 179.45 179.56 1u0e h GLU 226 N 0.85 0.59 -0.39 1.90 4.81 -0.94 0.31 114.58 121.72 1u0e h GLU 226 Ca 0.19 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1u0e h GLU 226 Cb 0.28 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1u0e h GLU 226 CO -0.01 0.39 0.19 2.35 -0.73 0.00 0.00 179.01 181.20 1u0e h TRP 227 N 0.61 0.56 -0.33 0.92 7.01 -1.13 -2.16 115.95 121.43 1u0e h TRP 227 Ca 0.17 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1u0e h TRP 227 Cb -0.06 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 1u0e h TRP 227 CO -0.05 0.46 0.18 0.35 -2.79 0.00 0.00 178.44 176.59 1u0e h PHE 228 N 0.49 0.45 0.00 2.65 3.57 -0.56 -2.98 116.94 120.55 1u0e h PHE 228 Ca 0.13 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1u0e h PHE 228 Cb 0.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1u0e h PHE 228 CO -0.01 0.36 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.07 1u0e h LEU 229 N 0.41 0.00 -1.28 0.59 3.38 -0.29 -0.51 115.31 117.61 1u0e h LEU 229 Ca 0.11 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1u0e h LEU 229 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1u0e h LEU 229 CO -0.02 0.28 0.53 -0.08 0.09 0.00 0.00 178.44 179.24 1u0e h GLU 230 N 0.00 0.85 0.06 1.13 4.81 -1.22 0.19 114.58 120.40 1u0e h GLU 230 Ca -0.00 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.96 1u0e h GLU 230 Cb 0.73 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1u0e h GLU 230 CO 0.04 0.56 -1.15 0.00 -0.73 0.00 0.00 179.01 177.73 1u0e h ALA 231 N 1.56 0.17 0.04 2.92 0.00 -1.45 -3.40 119.26 119.10 1u0e h ALA 231 Ca 0.35 -1.03 -0.24 0.00 0.00 0.00 0.00 54.91 53.99 1u0e h ALA 231 Cb 0.24 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1u0e h ALA 231 CO -0.12 0.66 -1.03 0.00 0.00 0.00 0.00 179.25 178.76 1u0e h ALA 232 N -0.16 0.29 -2.98 0.00 0.00 -1.03 -3.47 119.26 111.90 1u0e h ALA 232 Ca -0.27 -0.75 -0.41 0.00 0.00 0.00 0.00 54.91 53.48 1u0e h ALA 232 Cb 1.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1u0e h ALA 232 CO -0.02 0.85 -0.53 1.63 0.00 0.00 0.00 179.25 181.18 1u0e n LYS 233 N -3.70 -1.70 -3.24 0.00 5.02 0.65 -4.93 118.16 110.27 1u0e n LYS 233 Ca -0.07 1.01 -0.03 0.00 -2.02 0.00 0.00 58.31 57.20 1u0e n LYS 233 Cb 0.89 -5.67 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 1u0e n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u0e s ASP 234 N -2.07 -0.58 0.56 4.39 3.68 -1.26 -5.04 116.67 116.35 1u0e s ASP 234 Ca 0.00 0.31 0.26 0.00 2.13 0.00 0.00 52.55 55.25 1u0e s ASP 234 Cb 0.00 1.62 1.50 0.00 -1.45 0.00 0.00 42.92 44.58 1u0e s ASP 234 CO 0.00 -0.30 2.03 -0.65 0.13 0.00 0.00 175.17 176.39 1u0e h PRO 235 N 8.09 0.00 0.00 4.34 0.11 -1.96 0.83 132.00 143.40 1u0e h PRO 235 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1u0e h PRO 235 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1u0e h PRO 235 CO 0.25 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.70 1u0e h SER 236 N 0.00 0.00 1.53 -2.05 4.64 -1.96 -3.00 113.55 112.71 1u0e h SER 236 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u0e h SER 236 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1u0e h SER 236 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u0e h ALA 237 N 2.31 1.00 -1.00 5.18 0.00 -1.22 -3.26 119.26 122.27 1u0e h ALA 237 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1u0e h ALA 237 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1u0e h ALA 237 CO 0.00 0.00 0.63 0.28 0.00 0.00 0.00 179.25 180.16 1u0e h VAL 238 N 0.00 0.90 0.00 0.00 2.07 -1.66 -1.70 116.25 115.86 1u0e h VAL 238 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1u0e h VAL 238 Cb 0.76 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1u0e h VAL 238 CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1u0e h ALA 239 N 1.55 1.00 -0.00 1.67 0.00 -1.58 -0.10 119.26 121.80 1u0e h ALA 239 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1u0e h ALA 239 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1u0e h ALA 239 CO -0.27 0.00 -0.26 1.63 0.00 0.00 0.00 179.25 180.35 1u0e n LYS 240 N -2.98 0.14 0.00 0.00 5.02 -0.64 -4.35 118.16 115.35 1u0e n LYS 240 Ca -0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1u0e n LYS 240 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1u0e n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1u0e n HIS 241 N -1.39 0.00 -4.14 2.13 8.25 -0.19 -4.76 115.22 115.13 1u0e n HIS 241 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1u0e n HIS 241 Cb 0.33 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 1u0e n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1u0e s PHE 242 N -0.08 0.70 0.24 4.41 0.40 -0.39 0.01 117.98 123.27 1u0e s PHE 242 Ca 0.00 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1u0e s PHE 242 Cb 0.00 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 1u0e s PHE 242 CO 0.00 -0.18 -0.04 0.14 0.70 0.00 0.00 175.22 175.83 1u0e s VAL 243 N 0.92 1.33 0.02 -0.44 -7.23 -0.35 -4.65 120.40 110.00 1u0e s VAL 243 Ca -0.11 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.03 1u0e s VAL 243 Cb -0.14 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1u0e s VAL 243 CO -0.00 -0.37 -0.17 0.00 -0.31 0.00 0.00 175.10 174.25 1u0e s ALA 244 N -3.22 1.46 -0.37 1.32 0.00 -0.74 -0.62 121.76 119.59 1u0e s ALA 244 Ca 0.27 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1u0e s ALA 244 Cb 0.04 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.94 1u0e s ALA 244 CO 0.09 0.33 0.13 -0.51 0.00 0.00 0.00 175.76 175.81 1u0e s LEU 245 N -0.81 4.78 -0.04 0.00 1.43 -0.18 -1.17 118.68 122.69 1u0e s LEU 245 Ca 0.06 -1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 51.10 1u0e s LEU 245 Cb -0.07 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.46 1u0e s LEU 245 CO 0.01 -0.44 1.16 -0.55 0.23 0.00 0.00 176.35 176.76 1u0e s SER 246 N 1.60 -0.14 0.00 2.29 0.15 -0.66 -0.88 113.70 116.06 1u0e s SER 246 Ca 0.04 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1u0e s SER 246 Cb -0.22 0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1u0e s SER 246 CO -0.03 -0.42 0.61 0.35 1.20 0.00 0.00 173.24 174.95 1u0e n THR 247 N -0.34 0.00 -2.78 6.45 -2.24 -0.98 -3.90 114.28 110.49 1u0e n THR 247 Ca -0.05 -0.49 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 1u0e n THR 247 Cb 0.61 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1u0e n THR 247 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1u0e n ASN 248 N 0.15 5.12 -0.15 3.42 4.05 -1.24 -4.84 115.26 121.76 1u0e n ASN 248 Ca 0.02 -2.98 -0.03 0.00 0.45 0.00 0.00 54.58 52.05 1u0e n ASN 248 Cb 0.11 -1.59 0.04 0.00 1.23 0.00 0.00 39.78 39.56 1u0e n ASN 248 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1u0e h THR 249 N 4.68 0.55 -0.22 -0.44 2.02 -1.95 -1.10 112.91 116.45 1u0e h THR 249 Ca 0.36 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.55 1u0e h THR 249 Cb 0.84 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1u0e h THR 249 CO 1.35 0.01 0.08 0.00 0.37 0.00 0.00 175.52 177.32 1u0e h ALA 250 N 1.47 0.24 -0.27 6.16 0.00 -1.99 0.56 119.26 125.43 1u0e h ALA 250 Ca 0.24 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1u0e h ALA 250 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u0e h ALA 250 CO -0.47 -0.34 -0.27 0.87 0.00 0.00 0.00 179.25 179.04 1u0e h LYS 251 N 0.18 0.54 -0.13 0.00 1.79 -1.83 -0.67 116.57 116.45 1u0e h LYS 251 Ca 0.09 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1u0e h LYS 251 Cb 0.06 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1u0e h LYS 251 CO -0.10 0.76 -0.00 0.28 -1.08 0.00 0.00 179.45 179.31 1u0e h VAL 252 N 0.47 1.26 -0.38 0.50 2.07 -0.88 -1.79 116.25 117.49 1u0e h VAL 252 Ca 0.06 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1u0e h VAL 252 Cb 0.72 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1u0e h VAL 252 CO 0.06 0.24 0.10 0.11 0.02 0.00 0.00 177.57 178.10 1u0e h LYS 253 N -0.04 0.22 -0.90 1.57 1.57 -0.74 -2.44 116.57 115.81 1u0e h LYS 253 Ca 0.04 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1u0e h LYS 253 Cb 0.38 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1u0e h LYS 253 CO 0.01 0.15 0.58 1.49 -0.57 0.00 0.00 179.45 181.11 1u0e h GLU 254 N 0.23 0.81 0.00 3.15 4.81 -0.98 -0.84 114.58 121.76 1u0e h GLU 254 Ca 0.18 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1u0e h GLU 254 Cb 0.20 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1u0e h GLU 254 CO -0.22 0.54 -0.30 0.35 -0.73 0.00 0.00 179.01 178.64 1u0e h PHE 255 N 0.83 0.00 0.00 0.92 3.57 -0.86 -3.46 116.94 117.94 1u0e h PHE 255 Ca 0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1u0e h PHE 255 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1u0e h PHE 255 CO -0.00 0.30 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 1u0e n GLY 256 N -0.66 1.39 3.74 2.40 0.00 -0.32 -5.03 105.19 106.71 1u0e n GLY 256 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1u0e n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u0e s ILE 257 N -2.00 5.01 -0.01 -0.61 1.01 -1.02 -3.08 121.20 120.50 1u0e s ILE 257 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 1u0e s ILE 257 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1u0e s ILE 257 CO 0.00 0.35 1.96 -0.62 0.00 0.00 0.00 174.94 176.62 1u0e s ASP 258 N 0.30 6.35 0.41 3.58 -1.08 -1.26 -4.06 116.67 120.92 1u0e s ASP 258 Ca 0.32 2.51 0.24 0.00 -0.52 0.00 0.00 52.55 55.10 1u0e s ASP 258 Cb -0.17 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.07 1u0e s ASP 258 CO 0.16 -1.15 1.71 1.55 0.52 0.00 0.00 175.17 177.96 1u0e h PRO 259 N 11.03 0.00 -0.40 4.34 0.13 -1.93 0.44 132.00 145.61 1u0e h PRO 259 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1u0e h PRO 259 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1u0e h PRO 259 CO 0.95 0.00 0.13 0.37 -0.23 0.00 0.00 178.00 179.22 1u0e h GLN 260 N 0.00 0.57 -0.97 0.86 4.15 -2.02 -2.81 115.11 114.89 1u0e h GLN 260 Ca 0.00 -0.08 -0.31 0.00 0.77 0.00 0.00 58.65 59.02 1u0e h GLN 260 Cb 0.22 -0.10 -0.19 0.00 0.21 0.00 0.00 27.48 27.62 1u0e h GLN 260 CO 0.00 0.50 0.40 0.09 -1.93 0.00 0.00 178.83 177.89 1u0e n ASN 261 N -4.36 3.58 -4.43 -0.69 3.02 0.16 -4.77 115.26 107.77 1u0e n ASN 261 Ca 0.03 -3.04 -0.40 0.00 -0.03 0.00 0.00 54.58 51.14 1u0e n ASN 261 Cb 0.16 -0.72 -0.11 0.00 -0.61 0.00 0.00 39.78 38.50 1u0e n ASN 261 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1u0e s MET 262 N -2.23 3.17 -0.24 3.52 1.75 -1.06 -1.78 119.30 122.43 1u0e s MET 262 Ca 0.38 -0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 53.88 1u0e s MET 262 Cb 0.32 -3.66 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 1u0e s MET 262 CO 0.08 -0.52 0.16 -0.51 -0.65 0.00 0.00 175.02 173.57 1u0e s LEU 263 N 1.61 4.10 0.26 4.11 1.02 -0.32 -4.93 118.68 124.54 1u0e s LEU 263 Ca 0.04 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1u0e s LEU 263 Cb -0.18 -2.10 -0.05 0.00 0.02 0.00 0.00 46.19 43.88 1u0e s LEU 263 CO 0.07 0.07 0.50 -1.61 0.02 0.00 0.00 176.35 175.40 1u0e s GLU 264 N 1.02 3.60 0.28 1.70 8.01 -1.25 -1.66 118.70 130.41 1u0e s GLU 264 Ca 0.07 -0.09 0.00 0.00 0.01 0.00 0.00 54.97 54.97 1u0e s GLU 264 Cb -0.13 -2.70 -0.02 0.00 -4.31 0.00 0.00 34.13 26.96 1u0e s GLU 264 CO 0.04 0.27 0.29 -0.59 0.01 0.00 0.00 175.26 175.28 1u0e s PHE 265 N -2.01 1.28 0.32 1.61 -0.12 -1.26 -4.49 117.98 113.31 1u0e s PHE 265 Ca 0.42 -1.40 0.10 0.00 -0.05 0.00 0.00 56.93 56.00 1u0e s PHE 265 Cb -0.11 -0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 1u0e s PHE 265 CO 0.29 -0.86 -0.11 -1.58 -0.05 0.00 0.00 175.22 172.92 1u0e s TRP 266 N -3.67 2.33 -0.42 3.49 0.51 -1.26 -4.78 118.94 115.14 1u0e s TRP 266 Ca 0.36 -0.49 0.22 0.00 -2.12 0.00 0.00 56.10 54.08 1u0e s TRP 266 Cb 0.03 -1.27 1.01 0.00 -0.81 0.00 0.00 33.47 32.43 1u0e s TRP 266 CO 0.19 0.58 1.68 -0.40 -0.51 0.00 0.00 176.95 178.49 1u0e n ASP 267 N -0.73 0.62 -0.50 2.95 5.68 -1.26 -1.00 116.55 122.30 1u0e n ASP 267 Ca -0.05 0.69 0.11 0.00 -0.50 0.00 0.00 54.79 55.04 1u0e n ASP 267 Cb 0.63 -0.80 0.43 0.00 -1.14 0.00 0.00 41.12 40.23 1u0e n ASP 267 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1u0e n TRP 268 N -2.22 0.15 -3.37 2.11 4.27 -1.26 -4.57 117.44 112.54 1u0e n TRP 268 Ca 0.01 -0.07 -0.45 0.00 -3.89 0.00 0.00 57.50 53.10 1u0e n TRP 268 Cb 0.17 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.06 1u0e n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1u0e s VAL 269 N -1.85 5.13 0.35 -1.67 1.01 -0.17 -1.38 120.40 121.81 1u0e s VAL 269 Ca 0.34 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 1u0e s VAL 269 Cb 0.18 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1u0e s VAL 269 CO 0.28 -0.72 1.28 -0.83 0.00 0.00 0.00 175.10 175.11 1u0e s GLY 270 N 3.04 2.98 0.24 4.51 0.00 -1.26 -4.83 107.32 112.00 1u0e s GLY 270 Ca 0.04 1.20 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 1u0e s GLY 270 CO 0.04 1.82 1.65 -1.33 0.00 0.00 0.00 173.10 175.28 1u0e h GLY 271 N 3.23 0.80 0.61 0.20 0.00 -1.96 0.34 103.07 106.30 1u0e h GLY 271 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1u0e h GLY 271 CO 0.65 -0.26 0.00 -0.96 0.00 0.00 0.00 176.54 175.97 1u0e n ARG 272 N -5.32 0.86 -0.80 4.80 1.85 -1.26 -2.19 116.66 114.61 1u0e n ARG 272 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.03 1u0e n ARG 272 Cb 0.44 -1.31 0.13 0.00 -1.05 0.00 0.00 32.46 30.67 1u0e n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u0e n TYR 273 N -0.81 0.00 0.89 2.89 4.02 0.11 -4.77 117.16 119.49 1u0e n TYR 273 Ca 0.13 -1.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.10 1u0e n TYR 273 Cb 0.06 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.09 1u0e n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0e n SER 274 N -0.57 0.97 0.31 7.72 3.41 -0.86 -4.49 113.62 120.10 1u0e n SER 274 Ca 0.13 -0.98 0.17 0.00 -0.26 0.00 0.00 58.87 57.93 1u0e n SER 274 Cb 0.83 0.96 0.98 0.00 -0.26 0.00 0.00 64.21 66.71 1u0e n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1u0e h LEU 275 N 0.18 0.00 -0.72 1.04 8.10 -1.83 -0.33 115.31 121.75 1u0e h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1u0e h LEU 275 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1u0e h LEU 275 CO 0.00 0.02 0.00 -0.50 -4.11 0.00 0.00 178.44 173.85 1u0e h TRP 276 N 0.00 0.00 -2.93 0.17 4.06 -1.95 -2.66 115.95 112.65 1u0e h TRP 276 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1u0e h TRP 276 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1u0e h TRP 276 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 1u0e n SER 277 N -2.43 0.00 -0.24 -3.49 3.41 -0.13 -4.76 113.62 105.97 1u0e n SER 277 Ca 0.02 -0.32 0.31 0.00 -0.26 0.00 0.00 58.87 58.62 1u0e n SER 277 Cb 0.28 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.97 1u0e n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0e h ALA 278 N -0.81 2.96 -0.32 7.33 0.00 -1.81 0.13 119.26 126.75 1u0e h ALA 278 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1u0e h ALA 278 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u0e h ALA 278 CO 0.00 -1.26 0.31 0.82 0.00 0.00 0.00 179.25 179.13 1u0e h ILE 279 N 0.00 0.50 0.00 0.00 1.08 -1.84 0.19 117.51 117.44 1u0e h ILE 279 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.96 1u0e h ILE 279 Cb 1.95 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 1u0e h ILE 279 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 1u0e n GLY 280 N -1.48 -0.83 0.25 5.37 0.00 0.44 -4.26 105.19 104.68 1u0e n GLY 280 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1u0e n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0e h LEU 281 N 0.00 0.11 -1.34 0.99 5.85 -1.13 -1.19 115.31 118.59 1u0e h LEU 281 Ca 0.00 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1u0e h LEU 281 Cb 0.00 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1u0e h LEU 281 CO 0.00 0.05 0.02 0.77 -0.34 0.00 0.00 178.44 178.94 1u0e h SER 282 N 0.33 0.42 0.15 1.25 4.64 -1.85 0.13 113.55 118.62 1u0e h SER 282 Ca 0.35 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1u0e h SER 282 Cb 0.53 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1u0e h SER 282 CO -0.40 0.47 -0.07 0.40 -0.87 0.00 0.00 176.83 176.36 1u0e h ILE 283 N 0.44 0.90 -0.68 0.95 2.04 -1.56 -1.67 117.51 117.95 1u0e h ILE 283 Ca 0.10 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1u0e h ILE 283 Cb 0.26 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1u0e h ILE 283 CO 0.01 0.05 0.29 0.00 0.00 0.00 0.00 178.15 178.50 1u0e h ALA 284 N 0.56 1.24 -0.60 1.87 0.00 -0.67 -0.91 119.26 120.75 1u0e h ALA 284 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1u0e h ALA 284 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1u0e h ALA 284 CO 0.03 0.57 0.10 -0.07 0.00 0.00 0.00 179.25 179.88 1u0e h LEU 285 N 0.97 0.92 -0.03 0.00 3.38 -0.76 0.28 115.31 120.07 1u0e h LEU 285 Ca 0.23 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1u0e h LEU 285 Cb 0.15 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1u0e h LEU 285 CO -0.02 0.92 -0.29 -0.74 0.09 0.00 0.00 178.44 178.40 1u0e h HIS 286 N 0.92 0.35 -0.01 1.13 2.76 -0.58 -3.37 115.15 116.34 1u0e h HIS 286 Ca 0.19 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1u0e h HIS 286 Cb 0.40 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1u0e h HIS 286 CO 0.03 0.93 -0.31 1.33 -1.30 0.00 0.00 177.93 178.61 1u0e n VAL 287 N -4.47 0.00 0.00 5.26 0.24 -0.42 -4.27 118.33 114.67 1u0e n VAL 287 Ca -0.09 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1u0e n VAL 287 Cb 0.50 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 1u0e n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u0e n GLY 288 N 1.11 0.55 0.24 7.63 0.00 0.98 -4.39 105.19 111.32 1u0e n GLY 288 Ca 0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 1u0e n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u0e h PHE 289 N 0.00 0.47 -0.19 1.61 3.57 -1.92 -2.11 116.94 118.38 1u0e h PHE 289 Ca 0.00 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1u0e h PHE 289 Cb 0.00 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1u0e h PHE 289 CO 0.00 0.59 0.03 0.38 -2.23 0.00 0.00 178.31 177.08 1u0e h ASP 290 N 0.40 0.00 -0.31 0.41 -0.00 -1.92 0.83 116.42 115.84 1u0e h ASP 290 Ca 0.07 0.03 -0.06 0.00 -0.00 0.00 0.00 57.03 57.07 1u0e h ASP 290 Cb 0.53 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1u0e h ASP 290 CO 0.03 0.03 -0.01 0.45 -0.00 0.00 0.00 179.24 179.75 1u0e h HIS 291 N 0.11 0.69 -0.71 4.15 3.86 -1.71 -1.98 115.15 119.56 1u0e h HIS 291 Ca 0.08 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1u0e h HIS 291 Cb 0.08 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1u0e h HIS 291 CO -0.14 0.66 0.33 0.35 0.86 0.00 0.00 177.93 179.99 1u0e h PHE 292 N 0.62 1.03 -0.59 2.45 3.57 -0.75 -1.62 116.94 121.66 1u0e h PHE 292 Ca 0.13 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1u0e h PHE 292 Cb 0.40 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1u0e h PHE 292 CO 0.02 0.77 0.23 0.93 -2.23 0.00 0.00 178.31 178.03 1u0e h GLU 293 N 0.99 0.85 -0.50 1.11 5.08 -0.55 -1.49 114.58 120.09 1u0e h GLU 293 Ca 0.24 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1u0e h GLU 293 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1u0e h GLU 293 CO -0.03 0.71 0.09 1.96 -1.00 0.00 0.00 179.01 180.74 1u0e h GLN 294 N 0.84 0.82 -0.40 2.33 4.20 -0.91 0.15 115.11 122.14 1u0e h GLN 294 Ca 0.20 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1u0e h GLN 294 Cb 0.18 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1u0e h GLN 294 CO -0.02 0.81 0.20 1.25 -0.67 0.00 0.00 178.83 180.41 1u0e h LEU 295 N 0.69 0.30 -0.82 1.46 5.85 -0.93 -0.15 115.31 121.72 1u0e h LEU 295 Ca 0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1u0e h LEU 295 Cb 0.38 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1u0e h LEU 295 CO 0.01 0.22 0.53 -0.07 -0.34 0.00 0.00 178.44 178.79 1u0e h LEU 296 N 0.42 0.96 -1.00 2.25 3.38 -1.02 -2.58 115.31 117.71 1u0e h LEU 296 Ca 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1u0e h LEU 296 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1u0e h LEU 296 CO -0.11 0.71 0.22 0.28 0.09 0.00 0.00 178.44 179.63 1u0e h SER 297 N 1.12 0.87 -0.52 -0.43 0.02 0.07 -1.13 113.55 113.55 1u0e h SER 297 Ca 0.30 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1u0e h SER 297 Cb -0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1u0e h SER 297 CO -0.06 0.80 0.22 1.23 -1.14 0.00 0.00 176.83 177.88 1u0e h GLY 298 N 1.02 0.82 1.00 -3.77 0.00 -0.79 -0.47 103.07 100.88 1u0e h GLY 298 Ca 0.21 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1u0e h GLY 298 CO -0.01 0.40 0.27 0.00 0.00 0.00 0.00 176.54 177.21 1u0e h ALA 299 N 1.07 0.54 -0.71 3.60 0.00 -1.23 -2.00 119.26 120.54 1u0e h ALA 299 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1u0e h ALA 299 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1u0e h ALA 299 CO -0.02 0.01 0.42 1.25 0.00 0.00 0.00 179.25 180.92 1u0e h HIS 300 N 0.57 0.79 -0.34 0.00 6.17 -0.98 0.21 115.15 121.57 1u0e h HIS 300 Ca 0.16 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.31 1u0e h HIS 300 Cb -0.04 -0.25 -0.05 0.00 2.52 0.00 0.00 27.41 29.59 1u0e h HIS 300 CO -0.04 0.42 0.06 2.35 0.71 0.00 0.00 177.93 181.42 1u0e h TRP 301 N 0.81 0.09 -0.16 5.26 7.01 -0.85 -1.02 115.95 127.09 1u0e h TRP 301 Ca 0.30 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.22 1u0e h TRP 301 Cb 0.10 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1u0e h TRP 301 CO -0.05 0.01 -0.35 1.98 -2.79 0.00 0.00 178.44 177.23 1u0e h MET 302 N 0.17 0.32 -0.18 2.65 4.05 -0.55 -0.73 114.93 120.67 1u0e h MET 302 Ca 0.16 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1u0e h MET 302 Cb 0.19 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1u0e h MET 302 CO -0.22 0.63 0.09 -0.44 0.23 0.00 0.00 176.91 177.20 1u0e h ASP 303 N 0.28 0.14 -0.59 1.39 3.32 -0.23 -0.41 116.42 120.32 1u0e h ASP 303 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1u0e h ASP 303 Cb 0.75 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1u0e h ASP 303 CO 0.06 0.11 0.31 1.56 -1.72 0.00 0.00 179.24 179.56 1u0e h GLN 304 N 0.19 0.83 -0.40 3.56 1.08 -0.95 0.61 115.11 120.03 1u0e h GLN 304 Ca 0.07 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1u0e h GLN 304 Cb 0.01 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.23 1u0e h GLN 304 CO -0.04 0.64 0.09 1.25 -0.95 0.00 0.00 178.83 179.81 1u0e h HIS 305 N 0.80 0.14 -0.54 2.96 -0.00 -0.93 -0.54 115.15 117.03 1u0e h HIS 305 Ca 0.21 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.49 1u0e h HIS 305 Cb 0.06 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1u0e h HIS 305 CO -0.01 0.02 -0.07 0.35 -0.00 0.00 0.00 177.93 178.22 1u0e h PHE 306 N 0.22 1.10 -0.22 5.26 3.57 -0.74 -2.28 116.94 123.84 1u0e h PHE 306 Ca 0.19 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1u0e h PHE 306 Cb 0.22 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1u0e h PHE 306 CO -0.19 1.01 -0.10 1.25 -2.23 0.00 0.00 178.31 178.04 1u0e h LEU 307 N 0.89 0.48 0.00 0.59 5.85 -0.58 -3.36 115.31 119.18 1u0e h LEU 307 Ca 0.15 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1u0e h LEU 307 Cb 0.62 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1u0e h LEU 307 CO 0.04 0.78 -1.34 0.29 -0.34 0.00 0.00 178.44 177.87 1u0e n LYS 308 N -4.53 0.49 -3.17 1.25 5.02 -0.24 -4.96 118.16 112.03 1u0e n LYS 308 Ca -0.04 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.83 1u0e n LYS 308 Cb 0.33 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1u0e n LYS 308 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u0e s THR 309 N -3.35 4.93 0.40 -0.18 2.01 -0.86 -5.04 115.64 113.56 1u0e s THR 309 Ca -0.01 1.29 -0.26 0.00 0.31 0.00 0.00 61.69 63.02 1u0e s THR 309 Cb 0.13 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1u0e s THR 309 CO 0.84 0.38 1.16 -2.65 -0.69 0.00 0.00 174.62 173.66 1u0e n PRO 310 N 2.94 1.70 -0.17 4.92 -0.02 -1.26 -4.77 135.00 138.34 1u0e n PRO 310 Ca -0.06 0.61 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1u0e n PRO 310 Cb 0.51 -2.21 0.35 0.00 -0.02 0.00 0.00 33.50 32.13 1u0e n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u0e h LEU 311 N 1.95 0.67 -1.67 2.45 3.38 -1.96 -2.17 115.31 117.96 1u0e h LEU 311 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1u0e h LEU 311 Cb 1.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1u0e h LEU 311 CO 0.59 0.44 0.00 -0.33 0.09 0.00 0.00 178.44 179.23 1u0e h GLU 312 N 0.76 0.00 0.00 1.13 3.07 -1.97 -2.52 114.58 115.05 1u0e h GLU 312 Ca 0.29 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1u0e h GLU 312 Cb 0.19 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.79 1u0e h GLU 312 CO -0.09 0.00 -0.93 0.36 -1.40 0.00 0.00 179.01 176.95 1u0e n LYS 313 N -2.48 0.24 -3.56 2.33 2.85 -0.83 -5.02 118.16 111.68 1u0e n LYS 313 Ca -0.01 -2.14 -0.41 0.00 -1.05 0.00 0.00 58.31 54.69 1u0e n LYS 313 Cb 0.08 -0.27 -0.11 0.00 -0.65 0.00 0.00 35.03 34.08 1u0e n LYS 313 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1u0e s ASN 314 N -2.14 5.83 0.10 -5.58 3.84 -0.95 -4.89 114.94 111.16 1u0e s ASN 314 Ca 0.33 -0.99 -0.34 0.00 0.21 0.00 0.00 52.86 52.07 1u0e s ASN 314 Cb 0.37 -2.06 -0.14 0.00 -0.55 0.00 0.00 41.25 38.87 1u0e s ASN 314 CO -0.15 -0.41 1.56 0.00 -2.79 0.00 0.00 177.10 175.32 1u0e h ALA 315 N 8.48 -0.98 -0.01 1.71 0.00 -1.91 0.02 119.26 126.56 1u0e h ALA 315 Ca -0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1u0e h ALA 315 Cb 1.11 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1u0e h ALA 315 CO 0.68 -1.12 -0.17 -1.00 0.00 0.00 0.00 179.25 177.64 1u0e h PRO 316 N -0.77 0.02 -0.22 0.00 0.13 -1.94 -1.06 132.00 128.17 1u0e h PRO 316 Ca -0.01 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1u0e h PRO 316 Cb 0.77 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1u0e h PRO 316 CO -0.27 0.19 0.01 0.28 -0.23 0.00 0.00 178.00 177.98 1u0e h VAL 317 N 0.02 1.25 -0.62 1.56 2.07 -1.61 -0.65 116.25 118.27 1u0e h VAL 317 Ca 0.00 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1u0e h VAL 317 Cb 0.31 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1u0e h VAL 317 CO 0.02 0.27 0.08 -0.07 0.02 0.00 0.00 177.57 177.89 1u0e h LEU 318 N 0.15 1.00 -0.93 2.57 3.38 -0.50 -0.17 115.31 120.82 1u0e h LEU 318 Ca 0.06 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1u0e h LEU 318 Cb 0.39 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1u0e h LEU 318 CO 0.01 1.02 0.61 -0.07 0.09 0.00 0.00 178.44 180.10 1u0e h LEU 319 N 0.95 1.05 -0.60 1.67 3.38 -1.14 -0.90 115.31 119.72 1u0e h LEU 319 Ca 0.19 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1u0e h LEU 319 Cb 0.46 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1u0e h LEU 319 CO 0.02 0.75 0.20 0.00 0.09 0.00 0.00 178.44 179.50 1u0e h ALA 320 N 1.35 0.78 -0.36 1.53 0.00 -0.42 -2.55 119.26 119.59 1u0e h ALA 320 Ca 0.35 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1u0e h ALA 320 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1u0e h ALA 320 CO -0.09 0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 179.27 1u0e h LEU 321 N 0.84 0.84 -0.90 0.00 3.38 -0.53 -1.54 115.31 117.40 1u0e h LEU 321 Ca 0.19 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1u0e h LEU 321 Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1u0e h LEU 321 CO -0.01 1.10 0.59 -0.07 0.09 0.00 0.00 178.44 180.14 1u0e h LEU 322 N 0.59 1.03 -0.64 1.67 3.38 -1.16 -1.50 115.31 118.69 1u0e h LEU 322 Ca 0.07 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1u0e h LEU 322 Cb 0.82 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1u0e h LEU 322 CO 0.07 0.75 0.41 1.23 0.09 0.00 0.00 178.44 180.99 1u0e h GLY 323 N 1.22 0.91 1.01 0.83 0.00 -1.13 -1.46 103.07 104.45 1u0e h GLY 323 Ca 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1u0e h GLY 323 CO -0.07 0.28 0.55 -2.22 0.00 0.00 0.00 176.54 175.09 1u0e h ILE 324 N 0.81 1.23 0.01 2.60 1.08 -0.76 0.25 117.51 122.75 1u0e h ILE 324 Ca 0.25 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1u0e h ILE 324 Cb -0.03 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.69 1u0e h ILE 324 CO -0.08 0.24 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.34 1u0e h TRP 325 N 1.20 -0.07 -0.23 1.37 -0.00 -0.91 0.17 115.95 117.48 1u0e h TRP 325 Ca 0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 59.07 1u0e h TRP 325 Cb -0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 1u0e h TRP 325 CO -0.00 -0.05 -0.44 1.88 -0.00 0.00 0.00 178.44 179.83 1u0e h TYR 326 N -0.06 0.69 0.02 2.65 0.05 -0.88 -2.07 116.97 117.38 1u0e h TYR 326 Ca 0.01 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 1u0e h TYR 326 Cb 0.07 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1u0e h TYR 326 CO -0.10 0.91 -0.01 0.82 -1.05 0.00 0.00 178.16 178.74 1u0e h ILE 327 N 0.46 1.36 0.00 -2.88 2.04 -0.38 0.58 117.51 118.70 1u0e h ILE 327 Ca 0.03 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.02 1u0e h ILE 327 Cb 0.95 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1u0e h ILE 327 CO 0.09 0.44 -1.07 0.59 0.00 0.00 0.00 178.15 178.19 1u0e n ASN 328 N -4.70 0.60 -0.10 1.72 4.13 0.60 -2.59 115.26 114.92 1u0e n ASN 328 Ca -0.08 -0.11 -0.20 0.00 1.68 0.00 0.00 54.58 55.87 1u0e n ASN 328 Cb 0.36 0.80 -0.07 0.00 -1.54 0.00 0.00 39.78 39.33 1u0e n ASN 328 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u0e h TYR 330 N -0.64 0.00 -0.52 0.00 -1.99 -1.41 -3.48 116.97 108.92 1u0e h TYR 330 Ca -0.49 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.16 1u0e h TYR 330 Cb 1.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.17 1u0e h TYR 330 CO -0.06 0.00 -0.10 0.41 -0.00 0.00 0.00 178.16 178.41 1u0e n GLY 331 N 1.18 0.28 3.66 3.88 0.00 -0.53 -4.98 105.19 108.69 1u0e n GLY 331 Ca 0.03 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1u0e n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0e h GLU 333 N 8.18 0.00 -5.52 0.00 5.08 -1.89 -3.40 114.58 117.03 1u0e h GLU 333 Ca -0.28 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1u0e h GLU 333 Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.23 1u0e h GLU 333 CO 0.96 0.48 -0.66 0.95 -1.00 0.00 0.00 179.01 179.74 1u0e s THR 334 N -3.70 1.66 -0.06 1.13 -4.23 -1.26 -0.98 115.64 108.20 1u0e s THR 334 Ca -0.01 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 1u0e s THR 334 Cb 0.12 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.47 1u0e s THR 334 CO 0.72 -0.24 0.11 -2.28 -0.54 0.00 0.00 174.62 172.39 1u0e s HIS 335 N -2.99 -0.09 -0.16 3.99 2.46 -0.07 -4.23 115.29 114.20 1u0e s HIS 335 Ca 0.31 0.42 -0.08 0.00 0.47 0.00 0.00 55.06 56.18 1u0e s HIS 335 Cb 0.04 -0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.20 1u0e s HIS 335 CO 0.13 -0.19 0.12 0.00 -2.47 0.00 0.00 174.74 172.32 1u0e s ALA 336 N 1.75 3.71 -0.26 1.58 0.00 -0.36 -2.17 121.76 126.00 1u0e s ALA 336 Ca -0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1u0e s ALA 336 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1u0e s ALA 336 CO -0.05 0.38 0.03 -0.51 0.00 0.00 0.00 175.76 175.61 1u0e s LEU 337 N -0.29 3.45 -0.62 0.00 1.43 0.20 -0.63 118.68 122.21 1u0e s LEU 337 Ca 0.11 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1u0e s LEU 337 Cb -0.12 -1.82 0.18 0.00 0.03 0.00 0.00 46.19 44.46 1u0e s LEU 337 CO 0.01 -0.12 0.49 0.18 0.23 0.00 0.00 176.35 177.14 1u0e n LEU 338 N 4.83 2.18 -4.69 1.79 4.77 0.05 -3.96 117.00 121.99 1u0e n LEU 338 Ca -0.16 -5.02 -0.42 0.00 -0.03 0.00 0.00 56.01 50.37 1u0e n LEU 338 Cb 0.49 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1u0e n LEU 338 CO 0.30 1.82 0.86 -2.16 -1.33 0.00 0.00 177.39 176.88 1u0e s PRO 339 N -1.21 4.39 -1.39 3.23 0.04 -1.26 -2.26 135.00 136.54 1u0e s PRO 339 Ca 0.29 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 1u0e s PRO 339 Cb 0.00 -3.56 0.08 0.00 0.04 0.00 0.00 34.50 31.07 1u0e s PRO 339 CO -0.16 -0.39 2.34 0.66 0.04 0.00 0.00 177.00 179.50 1u0e n TYR 340 N 5.18 2.76 -3.44 0.56 4.02 0.12 -1.36 117.16 124.99 1u0e n TYR 340 Ca 0.10 -2.89 0.01 0.00 -0.01 0.00 0.00 57.90 55.11 1u0e n TYR 340 Cb 0.48 -2.09 -0.03 0.00 -0.02 0.00 0.00 39.34 37.68 1u0e n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u0e s ASP 341 N 1.20 -1.04 0.32 7.72 2.15 -1.24 -4.71 116.67 121.06 1u0e s ASP 341 Ca 0.52 1.16 0.05 0.00 0.43 0.00 0.00 52.55 54.71 1u0e s ASP 341 Cb 0.15 2.08 0.54 0.00 -0.30 0.00 0.00 42.92 45.39 1u0e s ASP 341 CO -0.06 -0.20 1.80 -0.61 -0.17 0.00 0.00 175.17 175.93 1u0e h GLN 342 N 7.90 0.43 -0.54 4.34 5.75 -1.85 -2.25 115.11 128.88 1u0e h GLN 342 Ca -0.18 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.18 1u0e h GLN 342 Cb 1.12 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 1u0e h GLN 342 CO 0.12 0.59 0.32 1.88 -2.65 0.00 0.00 178.83 179.09 1u0e h TYR 343 N 0.39 0.70 -0.06 3.99 0.99 -1.91 -2.25 116.97 118.81 1u0e h TYR 343 Ca 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 1u0e h TYR 343 Cb 0.53 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.02 1u0e h TYR 343 CO 0.02 0.47 0.02 -1.33 -0.00 0.00 0.00 178.16 177.34 1u0e n MET 344 N -4.42 1.26 0.17 4.88 2.81 -0.85 -2.85 117.12 118.11 1u0e n MET 344 Ca 0.05 -0.27 0.12 0.00 -1.81 0.00 0.00 57.70 55.79 1u0e n MET 344 Cb 0.08 -1.39 0.59 0.00 -0.71 0.00 0.00 33.22 31.79 1u0e n MET 344 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1u0e h HIS 345 N 0.25 0.00 -0.32 2.03 2.07 -1.47 -1.52 115.15 116.19 1u0e h HIS 345 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1u0e h HIS 345 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1u0e h HIS 345 CO 0.11 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.51 1u0e n ARG 346 N -2.34 2.89 -0.07 5.12 5.12 -1.26 -4.63 116.66 121.48 1u0e n ARG 346 Ca 0.00 -2.24 -0.11 0.00 -1.93 0.00 0.00 57.85 53.57 1u0e n ARG 346 Cb 0.13 -1.41 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 1u0e n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1u0e h PHE 347 N 1.93 0.38 -0.32 -1.55 3.57 -1.62 -1.65 116.94 117.69 1u0e h PHE 347 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1u0e h PHE 347 Cb 0.91 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1u0e h PHE 347 CO 0.29 0.44 0.21 0.00 -2.23 0.00 0.00 178.31 177.03 1u0e h ALA 348 N 0.89 0.41 -0.73 2.41 0.00 -1.82 -2.45 119.26 117.97 1u0e h ALA 348 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u0e h ALA 348 Cb 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1u0e h ALA 348 CO -0.00 -0.11 0.46 0.00 0.00 0.00 0.00 179.25 179.59 1u0e h ALA 349 N 1.11 1.43 -0.17 0.00 0.00 -1.84 -1.63 119.26 118.16 1u0e h ALA 349 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u0e h ALA 349 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1u0e h ALA 349 CO -0.02 0.51 0.11 -0.92 0.00 0.00 0.00 179.25 178.92 1u0e h TYR 350 N 1.00 0.21 0.00 0.00 3.20 -0.95 -2.55 116.97 117.88 1u0e h TYR 350 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1u0e h TYR 350 Cb -0.07 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1u0e h TYR 350 CO 0.00 0.13 0.00 1.19 -1.64 0.00 0.00 178.16 177.84 1u0e n PHE 351 N -4.98 0.00 -0.03 -3.82 3.01 -0.95 -1.76 117.46 108.93 1u0e n PHE 351 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.31 1u0e n PHE 351 Cb 0.03 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 1u0e n PHE 351 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1u0e h GLN 352 N 0.00 0.20 -0.09 -1.08 4.20 -0.86 -0.43 115.11 117.04 1u0e h GLN 352 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1u0e h GLN 352 Cb 0.20 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1u0e h GLN 352 CO 0.00 0.36 -0.03 0.37 -0.67 0.00 0.00 178.83 178.86 1u0e h GLN 353 N -0.00 0.18 -0.56 1.46 4.15 -1.50 0.59 115.11 119.41 1u0e h GLN 353 Ca 0.04 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1u0e h GLN 353 Cb 0.25 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 1u0e h GLN 353 CO 0.00 0.51 0.34 0.78 -1.93 0.00 0.00 178.83 178.53 1u0e h GLY 354 N -0.17 0.80 0.00 2.39 0.00 -1.34 -1.58 103.07 103.18 1u0e h GLY 354 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1u0e h GLY 354 CO 0.01 0.21 -0.19 -1.80 0.00 0.00 0.00 176.54 174.76 1u0e h ASP 355 N 0.66 0.00 -0.25 0.19 1.82 -1.18 -3.31 116.42 114.36 1u0e h ASP 355 Ca 0.23 -0.20 -0.16 0.00 -0.39 0.00 0.00 57.03 56.51 1u0e h ASP 355 Cb 0.04 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1u0e h ASP 355 CO -0.11 0.70 -0.45 0.24 -1.61 0.00 0.00 179.24 178.02 1u0e h MET 356 N -1.00 0.81 0.00 0.28 0.00 -0.88 0.39 114.93 114.53 1u0e h MET 356 Ca -0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 59.70 59.15 1u0e h MET 356 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.98 1u0e h MET 356 CO -0.01 1.09 -0.32 1.49 0.00 0.00 0.00 176.91 179.16 1u0e h GLU 357 N 0.65 0.00 0.11 1.72 4.81 -1.36 0.47 114.58 120.98 1u0e h GLU 357 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1u0e h GLU 357 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1u0e h GLU 357 CO 0.10 0.32 -0.05 0.77 -0.73 0.00 0.00 179.01 179.41 1u0e h SER 358 N 0.00 -0.13 -0.18 1.04 0.02 -1.52 -3.40 113.55 109.38 1u0e h SER 358 Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1u0e h SER 358 Cb 0.93 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1u0e h SER 358 CO 0.04 0.49 0.00 0.59 -1.14 0.00 0.00 176.83 176.81 1u0e n ASN 359 N -4.85 2.53 -3.67 3.07 3.02 0.09 -4.14 115.26 111.30 1u0e n ASN 359 Ca -0.07 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.31 1u0e n ASN 359 Cb 0.27 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1u0e n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u0e n GLY 360 N 0.74 3.32 3.16 7.41 0.00 0.15 -1.78 105.19 118.19 1u0e n GLY 360 Ca 0.10 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1u0e n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 361 N 4.27 0.81 0.00 1.61 -0.14 -1.26 -4.97 119.74 120.06 1u0e s LYS 361 Ca 0.53 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1u0e s LYS 361 Cb 0.14 -0.43 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 1u0e s LYS 361 CO 0.03 0.05 0.10 2.48 -0.76 0.00 0.00 175.35 177.26 1u0e n TYR 362 N 0.50 0.00 -4.37 3.18 -0.00 -1.26 -4.73 117.16 110.47 1u0e n TYR 362 Ca -0.16 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.40 1u0e n TYR 362 Cb 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.79 1u0e n TYR 362 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1u0e s ILE 363 N -0.01 3.57 0.83 -3.48 -1.09 -1.26 -0.87 121.20 118.89 1u0e s ILE 363 Ca 0.00 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.85 1u0e s ILE 363 Cb 0.00 -2.56 0.13 0.00 -1.58 0.00 0.00 42.46 38.45 1u0e s ILE 363 CO 0.00 0.48 1.17 0.42 -1.23 0.00 0.00 174.94 175.78 1u0e s THR 364 N 0.64 2.09 0.43 2.92 -4.23 -0.25 -4.45 115.64 112.80 1u0e s THR 364 Ca -0.04 -0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1u0e s THR 364 Cb -0.15 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.09 1u0e s THR 364 CO 0.02 0.00 1.99 0.50 -0.54 0.00 0.00 174.62 176.59 1u0e h LYS 365 N -1.10 0.41 0.00 3.99 3.64 -1.45 0.03 116.57 122.08 1u0e h LYS 365 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1u0e h LYS 365 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1u0e h LYS 365 CO 0.49 0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 176.81 1u0e n SER 366 N -4.47 0.21 0.00 4.20 3.41 -1.26 -4.90 113.62 110.81 1u0e n SER 366 Ca 0.09 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1u0e n SER 366 Cb 0.35 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1u0e n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0e n GLY 367 N 1.23 0.55 3.78 5.00 0.00 -0.00 -5.06 105.19 110.69 1u0e n GLY 367 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1u0e n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0e s ALA 368 N -2.24 3.11 0.17 4.61 0.00 -1.26 -4.73 121.76 121.42 1u0e s ALA 368 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1u0e s ALA 368 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1u0e s ALA 368 CO 0.00 -0.18 1.18 0.50 0.00 0.00 0.00 175.76 177.27 1u0e s ARG 369 N -2.44 4.50 0.48 0.00 3.52 -1.26 -1.08 118.95 122.66 1u0e s ARG 369 Ca 0.57 1.84 -0.24 0.00 -0.13 0.00 0.00 55.73 57.77 1u0e s ARG 369 Cb -0.22 -3.25 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 1u0e s ARG 369 CO 0.27 -0.08 1.34 1.33 -0.81 0.00 0.00 175.30 177.36 1u0e n VAL 370 N 2.60 3.06 -1.81 7.11 0.24 -0.05 -4.56 118.33 124.92 1u0e n VAL 370 Ca 0.04 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 1u0e n VAL 370 Cb 0.45 -1.68 0.09 0.00 -1.47 0.00 0.00 33.84 31.23 1u0e n VAL 370 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1u0e n ASP 371 N -0.32 3.95 -3.95 -1.34 5.75 -1.26 -5.02 116.55 114.37 1u0e n ASP 371 Ca 0.07 -3.80 -0.08 0.00 -0.01 0.00 0.00 54.79 50.97 1u0e n ASP 371 Cb 0.42 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 1u0e n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1u0e s HIS 372 N -3.48 0.20 0.50 2.11 -3.43 -1.26 -5.03 115.29 104.90 1u0e s HIS 372 Ca 0.48 -0.59 -0.21 0.00 -0.80 0.00 0.00 55.06 53.94 1u0e s HIS 372 Cb 0.40 0.35 -0.07 0.00 -1.43 0.00 0.00 32.58 31.83 1u0e s HIS 372 CO 0.00 -1.07 1.09 -0.65 -2.00 0.00 0.00 174.74 172.12 1u0e s GLN 373 N -3.97 3.63 0.00 -0.38 -1.52 -1.26 -5.07 119.66 111.10 1u0e s GLN 373 Ca 0.19 1.54 0.00 0.00 -1.95 0.00 0.00 55.36 55.14 1u0e s GLN 373 Cb -0.02 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1u0e s GLN 373 CO 0.09 -0.60 0.00 0.25 -0.25 0.00 0.00 175.29 174.77 1u0e n THR 374 N -0.97 0.00 -1.63 -0.19 -2.24 -1.26 -4.90 114.28 103.09 1u0e n THR 374 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1u0e n THR 374 Cb 0.51 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1u0e n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0e n GLY 375 N 5.00 -0.03 3.91 3.38 0.00 -0.73 -4.98 105.19 111.74 1u0e n GLY 375 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1u0e n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u0e s PRO 376 N -2.11 2.95 -0.14 1.61 0.04 -1.26 -4.79 135.00 131.29 1u0e s PRO 376 Ca 0.64 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1u0e s PRO 376 Cb -0.54 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1u0e s PRO 376 CO 0.56 -0.71 1.09 0.42 0.04 0.00 0.00 177.00 178.40 1u0e s ILE 377 N -3.02 4.58 -0.12 0.56 1.01 -0.15 -4.67 121.20 119.38 1u0e s ILE 377 Ca 0.54 1.88 -0.06 0.00 0.00 0.00 0.00 60.65 63.01 1u0e s ILE 377 Cb -0.11 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1u0e s ILE 377 CO 0.46 -0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.74 1u0e s VAL 378 N 2.59 5.14 0.27 2.92 1.01 -1.26 -0.90 120.40 130.17 1u0e s VAL 378 Ca 0.49 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1u0e s VAL 378 Cb -0.19 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1u0e s VAL 378 CO 0.15 0.60 0.69 -1.66 0.00 0.00 0.00 175.10 174.88 1u0e s TRP 379 N -0.83 -0.16 0.00 5.22 1.48 -0.92 -4.81 118.94 118.92 1u0e s TRP 379 Ca 0.13 -0.29 0.00 0.00 -1.06 0.00 0.00 56.10 54.89 1u0e s TRP 379 Cb -0.12 0.66 0.00 0.00 -1.16 0.00 0.00 33.47 32.85 1u0e s TRP 379 CO 0.03 -1.20 0.00 0.41 -4.06 0.00 0.00 176.95 172.13 1u0e n GLY 380 N -0.45 2.79 3.16 3.67 0.00 -1.26 -0.63 105.19 112.47 1u0e n GLY 380 Ca -0.04 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 1u0e n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u0e s GLU 381 N -2.08 0.80 0.55 1.61 0.41 -1.25 -4.83 118.70 113.90 1u0e s GLU 381 Ca 0.00 -1.20 -0.21 0.00 -0.41 0.00 0.00 54.97 53.15 1u0e s GLU 381 Cb 0.00 -0.34 -0.05 0.00 -1.78 0.00 0.00 34.13 31.97 1u0e s GLU 381 CO 0.00 0.03 1.32 -1.25 -0.49 0.00 0.00 175.26 174.87 1u0e s PRO 382 N -3.16 3.12 0.42 0.39 0.04 -1.26 -4.35 135.00 130.19 1u0e s PRO 382 Ca 0.07 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1u0e s PRO 382 Cb 0.00 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1u0e s PRO 382 CO -0.02 -1.18 0.87 0.20 0.04 0.00 0.00 177.00 176.90 1u0e s GLY 383 N -1.08 2.22 0.00 0.56 0.00 -0.47 -2.19 107.32 106.36 1u0e s GLY 383 Ca 0.73 0.14 0.30 0.00 0.00 0.00 0.00 44.72 45.89 1u0e s GLY 383 CO 0.45 0.39 2.00 -1.30 0.00 0.00 0.00 173.10 174.63 1u0e n THR 384 N -0.90 0.00 -0.24 0.90 -2.24 -1.26 -3.66 114.28 106.89 1u0e n THR 384 Ca 0.05 -0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1u0e n THR 384 Cb 0.54 -0.09 0.16 0.00 -2.10 0.00 0.00 70.33 68.83 1u0e n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u0e h ASN 385 N 0.88 0.22 -0.49 3.42 4.21 -1.80 -0.00 115.58 122.02 1u0e h ASN 385 Ca 0.00 0.10 0.09 0.00 1.21 0.00 0.00 56.30 57.70 1u0e h ASN 385 Cb 0.24 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.50 1u0e h ASN 385 CO 0.00 0.09 0.33 1.23 -1.29 0.00 0.00 177.43 177.80 1u0e h GLY 386 N 0.41 0.38 0.96 2.83 0.00 -1.70 -0.62 103.07 105.32 1u0e h GLY 386 Ca 0.38 -0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.71 1u0e h GLY 386 CO -0.39 0.07 0.42 1.46 0.00 0.00 0.00 176.54 178.11 1u0e h GLN 387 N 0.28 0.37 -0.67 4.80 4.20 -1.29 -0.31 115.11 122.48 1u0e h GLN 387 Ca 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1u0e h GLN 387 Cb 0.53 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1u0e h GLN 387 CO -0.05 0.24 0.00 0.72 -0.67 0.00 0.00 178.83 179.07 1u0e n HIS 388 N -4.47 1.06 0.03 2.96 8.25 -0.25 -4.27 115.22 118.54 1u0e n HIS 388 Ca 0.11 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1u0e n HIS 388 Cb 0.42 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1u0e n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u0e n ALA 389 N 1.35 3.00 -0.27 -1.41 0.00 -0.60 -4.99 120.51 117.59 1u0e n ALA 389 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1u0e n ALA 389 Cb 0.66 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1u0e n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1u0e n PHE 390 N -3.13 0.00 0.29 0.00 1.16 -0.23 -4.72 117.46 110.83 1u0e n PHE 390 Ca 0.00 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 55.75 1u0e n PHE 390 Cb 0.00 0.00 0.86 0.00 -1.61 0.00 0.00 39.48 38.73 1u0e n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1u0e h TYR 391 N 0.00 0.00 -0.70 2.97 -1.99 -1.65 -1.76 116.97 113.84 1u0e h TYR 391 Ca 0.00 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.87 1u0e h TYR 391 Cb 0.13 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.73 1u0e h TYR 391 CO 0.00 0.05 -0.17 0.37 -0.00 0.00 0.00 178.16 178.41 1u0e h GLN 392 N 0.00 0.00 -0.32 4.88 5.75 -1.84 0.50 115.11 124.08 1u0e h GLN 392 Ca -0.00 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 1u0e h GLN 392 Cb 0.27 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1u0e h GLN 392 CO 0.01 0.00 -0.47 1.25 -2.65 0.00 0.00 178.83 176.97 1u0e h LEU 393 N 0.00 0.94 -0.78 -2.39 6.46 -1.68 -0.28 115.31 117.58 1u0e h LEU 393 Ca 0.34 -0.47 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1u0e h LEU 393 Cb 0.52 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1u0e h LEU 393 CO -0.72 1.26 0.50 0.40 -0.62 0.00 0.00 178.44 179.26 1u0e h ILE 394 N 0.68 1.14 0.07 4.05 2.04 -1.29 0.10 117.51 124.31 1u0e h ILE 394 Ca 0.04 -0.34 -0.27 0.00 1.00 0.00 0.00 64.86 65.29 1u0e h ILE 394 Cb 1.06 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1u0e h ILE 394 CO 0.11 0.18 -1.12 0.45 0.00 0.00 0.00 178.15 177.77 1u0e h HIS 395 N 1.00 0.78 0.00 1.37 3.86 -0.79 -3.41 115.15 117.96 1u0e h HIS 395 Ca 0.30 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1u0e h HIS 395 Cb -0.03 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1u0e h HIS 395 CO -0.03 1.32 -0.20 1.04 0.86 0.00 0.00 177.93 180.92 1u0e n GLN 396 N -3.74 0.49 0.00 2.45 6.02 -0.13 -4.60 117.38 117.88 1u0e n GLN 396 Ca -0.10 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 1u0e n GLN 396 Cb 0.93 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.51 1u0e n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u0e n GLY 397 N -0.23 0.84 0.10 1.08 0.00 0.35 -4.93 105.19 102.39 1u0e n GLY 397 Ca 0.02 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1u0e n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u0e n THR 398 N 0.00 1.74 -4.82 2.61 -2.24 -1.26 -5.00 114.28 105.31 1u0e n THR 398 Ca 0.00 -2.02 -0.33 0.00 -2.27 0.00 0.00 64.05 59.43 1u0e n THR 398 Cb 0.00 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 1u0e n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0e s LYS 399 N -2.53 2.73 -0.23 -0.78 3.01 -1.26 -5.10 119.74 115.59 1u0e s LYS 399 Ca 0.27 -0.67 -0.20 0.00 -1.01 0.00 0.00 55.97 54.36 1u0e s LYS 399 Cb 0.23 -2.47 -0.02 0.00 -1.01 0.00 0.00 37.83 34.56 1u0e s LYS 399 CO 0.03 0.55 0.60 1.41 0.51 0.00 0.00 175.35 178.44 1u0e s MET 400 N -0.52 4.15 -0.31 1.68 -2.45 -1.26 -4.93 119.30 115.66 1u0e s MET 400 Ca 0.07 0.52 -0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1u0e s MET 400 Cb -0.12 -3.61 0.10 0.00 1.25 0.00 0.00 34.83 32.45 1u0e s MET 400 CO 0.02 -0.30 0.09 0.42 1.05 0.00 0.00 175.02 176.29 1u0e s ILE 401 N 2.13 1.10 0.23 10.11 1.01 -1.26 -4.69 121.20 129.83 1u0e s ILE 401 Ca 0.26 -1.54 -0.31 0.00 0.00 0.00 0.00 60.65 59.06 1u0e s ILE 401 Cb -0.16 -1.82 -0.11 0.00 0.01 0.00 0.00 42.46 40.38 1u0e s ILE 401 CO 0.09 -0.66 1.56 -2.84 0.00 0.00 0.00 174.94 173.09 1u0e s PRO 402 N 1.51 4.19 -0.05 2.79 0.02 -1.26 -4.80 135.00 137.39 1u0e s PRO 402 Ca 0.10 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.59 1u0e s PRO 402 Cb -0.18 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1u0e s PRO 402 CO -0.22 -0.58 -0.15 0.00 -0.33 0.00 0.00 177.00 175.72 1u0e s ASP 404 N 0.27 5.76 -0.22 0.00 1.01 0.19 -1.06 116.67 122.63 1u0e s ASP 404 Ca -0.08 -0.03 -0.10 0.00 0.71 0.00 0.00 52.55 53.06 1u0e s ASP 404 Cb -0.13 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 1u0e s ASP 404 CO 0.03 0.01 0.13 -0.36 0.21 0.00 0.00 175.17 175.18 1u0e s PHE 405 N 1.40 3.32 0.02 4.23 0.40 0.42 -0.77 117.98 127.01 1u0e s PHE 405 Ca 0.06 0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.67 1u0e s PHE 405 Cb -0.15 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 1u0e s PHE 405 CO 0.06 0.14 -0.21 -0.51 0.70 0.00 0.00 175.22 175.39 1u0e s LEU 406 N 0.72 2.12 -0.15 -0.37 1.02 -0.96 -0.43 118.68 120.64 1u0e s LEU 406 Ca 0.07 -0.48 -0.24 0.00 0.02 0.00 0.00 54.13 53.50 1u0e s LEU 406 Cb -0.13 -1.05 0.06 0.00 0.02 0.00 0.00 46.19 45.09 1u0e s LEU 406 CO 0.02 0.21 0.61 -0.51 0.02 0.00 0.00 176.35 176.69 1u0e s ILE 407 N -0.69 0.01 0.18 -0.59 2.07 -0.66 0.12 121.20 121.65 1u0e s ILE 407 Ca 0.08 -0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 59.01 1u0e s ILE 407 Cb -0.09 -0.88 -0.08 0.00 0.13 0.00 0.00 42.46 41.54 1u0e s ILE 407 CO 0.01 -0.03 0.79 -2.16 -1.91 0.00 0.00 174.94 171.64 1u0e s PRO 408 N -0.37 4.58 0.11 3.50 0.04 -1.26 -1.76 135.00 139.84 1u0e s PRO 408 Ca -0.05 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1u0e s PRO 408 Cb -0.03 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1u0e s PRO 408 CO 0.04 0.55 1.51 0.28 0.04 0.00 0.00 177.00 179.42 1u0e h VAL 409 N 3.25 1.28 -3.20 -0.36 2.07 -0.82 -3.43 116.25 115.04 1u0e h VAL 409 Ca -0.47 -1.18 -0.61 0.00 0.82 0.00 0.00 66.70 65.26 1u0e h VAL 409 Cb 1.20 1.33 -0.13 0.00 -1.52 0.00 0.00 31.29 32.17 1u0e h VAL 409 CO 0.66 0.39 -0.51 -1.10 0.02 0.00 0.00 177.57 177.02 1u0e s GLN 410 N -4.74 4.01 0.22 1.57 -0.21 -0.19 -5.03 119.66 115.28 1u0e s GLN 410 Ca -0.13 -0.25 -0.10 0.00 0.02 0.00 0.00 55.36 54.90 1u0e s GLN 410 Cb 0.09 -3.31 -0.07 0.00 1.00 0.00 0.00 33.01 30.72 1u0e s GLN 410 CO 0.80 0.36 0.54 -0.08 -2.12 0.00 0.00 175.29 174.80 1u0e s THR 411 N 0.16 4.94 -0.24 -0.19 -1.32 -1.26 -4.48 115.64 113.24 1u0e s THR 411 Ca 0.07 0.48 0.28 0.00 -1.21 0.00 0.00 61.69 61.31 1u0e s THR 411 Cb -0.12 -3.62 0.31 0.00 -1.51 0.00 0.00 72.50 67.56 1u0e s THR 411 CO -0.01 -0.04 1.83 1.56 -2.21 0.00 0.00 174.62 175.75 1u0e h GLN 412 N 2.63 0.00 -2.42 7.08 1.08 -1.98 -3.38 115.11 118.12 1u0e h GLN 412 Ca -0.47 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.14 1u0e h GLN 412 Cb 1.17 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.21 1u0e h GLN 412 CO 0.69 0.00 -0.90 0.72 -0.95 0.00 0.00 178.83 178.39 1u0e n HIS 413 N -2.58 0.22 -0.89 2.96 8.25 -1.26 -5.02 115.22 116.91 1u0e n HIS 413 Ca 0.01 -3.59 -0.16 0.00 -0.26 0.00 0.00 57.72 53.73 1u0e n HIS 413 Cb 0.25 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 1u0e n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1u0e n PRO 414 N 2.30 2.01 -1.03 -0.41 -0.04 -1.26 -4.90 135.00 131.66 1u0e n PRO 414 Ca 0.27 -1.10 -0.32 0.00 -0.04 0.00 0.00 63.50 62.30 1u0e n PRO 414 Cb 0.46 -2.11 0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1u0e n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u0e s ILE 415 N 1.71 2.48 -1.53 0.52 -4.36 -1.26 -3.07 121.20 115.69 1u0e s ILE 415 Ca 0.56 0.17 -0.07 0.00 -0.26 0.00 0.00 60.65 61.05 1u0e s ILE 415 Cb 0.23 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.56 1u0e s ILE 415 CO -0.01 -0.18 0.55 0.54 0.24 0.00 0.00 174.94 176.07 1u0e n ARG 416 N -3.67 -3.22 -3.70 0.37 5.12 -1.26 -1.12 116.66 109.18 1u0e n ARG 416 Ca 0.11 0.38 -0.28 0.00 -1.93 0.00 0.00 57.85 56.14 1u0e n ARG 416 Cb 0.52 -4.72 0.02 0.00 -1.16 0.00 0.00 32.46 27.12 1u0e n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u0e n LYS 417 N -4.42 -5.15 -0.81 5.56 5.02 -1.24 -1.80 118.16 115.32 1u0e n LYS 417 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1u0e n LYS 417 Cb 0.61 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1u0e n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u0e n GLY 418 N -1.59 0.64 0.08 0.72 0.00 -0.28 -4.97 105.19 99.80 1u0e n GLY 418 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1u0e n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0e h LEU 419 N 0.00 0.14 -0.64 0.99 5.85 -1.25 -0.99 115.31 119.42 1u0e h LEU 419 Ca 0.00 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1u0e h LEU 419 Cb 0.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1u0e h LEU 419 CO 0.00 0.17 0.35 0.45 -0.34 0.00 0.00 178.44 179.07 1u0e h HIS 420 N 0.10 0.65 -0.06 1.25 3.86 -1.84 -2.27 115.15 116.84 1u0e h HIS 420 Ca 0.04 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 1u0e h HIS 420 Cb 0.06 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1u0e h HIS 420 CO -0.05 0.32 -0.62 1.25 0.86 0.00 0.00 177.93 179.69 1u0e h HIS 421 N 0.67 0.30 -0.44 2.45 -0.00 -1.81 -0.88 115.15 115.44 1u0e h HIS 421 Ca 0.28 -0.12 0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1u0e h HIS 421 Cb 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1u0e h HIS 421 CO -0.08 0.79 0.24 -0.22 -0.00 0.00 0.00 177.93 178.66 1u0e h LYS 422 N 0.17 0.47 -0.35 5.26 3.64 -0.97 0.90 116.57 125.70 1u0e h LYS 422 Ca -0.01 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1u0e h LYS 422 Cb 1.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1u0e h LYS 422 CO 0.10 0.31 -0.01 0.82 -2.27 0.00 0.00 179.45 178.39 1u0e h ILE 423 N 0.48 1.26 -0.22 2.00 2.04 -1.12 -0.78 117.51 121.17 1u0e h ILE 423 Ca 0.18 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1u0e h ILE 423 Cb 0.05 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1u0e h ILE 423 CO -0.11 0.33 0.06 0.25 0.00 0.00 0.00 178.15 178.68 1u0e h LEU 424 N 0.43 0.06 -0.47 1.44 5.85 -0.95 -0.96 115.31 120.71 1u0e h LEU 424 Ca 0.10 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1u0e h LEU 424 Cb 0.47 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1u0e h LEU 424 CO 0.02 0.06 0.27 -0.07 -0.34 0.00 0.00 178.44 178.39 1u0e h LEU 425 N 0.16 0.44 -1.13 2.25 3.38 -0.68 -1.09 115.31 118.64 1u0e h LEU 425 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u0e h LEU 425 Cb 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1u0e h LEU 425 CO -0.11 0.31 0.54 0.00 0.09 0.00 0.00 178.44 179.27 1u0e h ALA 426 N 1.21 1.36 -0.34 1.53 0.00 -0.70 -0.89 119.26 121.43 1u0e h ALA 426 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1u0e h ALA 426 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1u0e h ALA 426 CO -0.09 0.58 -0.05 -0.91 0.00 0.00 0.00 179.25 178.78 1u0e h ASN 427 N 1.15 0.63 -0.44 0.00 2.35 -0.90 -0.25 115.58 118.12 1u0e h ASN 427 Ca 0.31 -0.34 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1u0e h ASN 427 Cb -0.09 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.03 1u0e h ASN 427 CO -0.06 0.82 -0.01 0.15 -1.65 0.00 0.00 177.43 176.68 1u0e h PHE 428 N 0.42 -0.05 -0.14 1.19 3.57 -0.75 -0.80 116.94 120.39 1u0e h PHE 428 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1u0e h PHE 428 Cb 0.53 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1u0e h PHE 428 CO 0.04 -0.11 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.78 1u0e h LEU 429 N 0.10 0.39 -1.23 0.59 3.38 -1.14 -3.28 115.31 114.12 1u0e h LEU 429 Ca 0.22 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1u0e h LEU 429 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1u0e h LEU 429 CO -0.38 0.82 0.15 0.00 0.09 0.00 0.00 178.44 179.12 1u0e h ALA 430 N 0.58 1.39 -0.33 1.53 0.00 -0.78 -2.66 119.26 119.00 1u0e h ALA 430 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1u0e h ALA 430 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u0e h ALA 430 CO 0.04 0.45 -0.11 1.96 0.00 0.00 0.00 179.25 181.60 1u0e h GLN 431 N 0.67 0.66 -0.23 0.00 1.08 -1.21 0.93 115.11 117.02 1u0e h GLN 431 Ca 0.16 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 1u0e h GLN 431 Cb 0.20 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1u0e h GLN 431 CO -0.01 0.85 -0.41 1.79 -0.95 0.00 0.00 178.83 180.09 1u0e h THR 432 N 0.44 1.30 -0.35 -0.54 1.35 -1.60 0.49 112.91 113.99 1u0e h THR 432 Ca 0.08 -1.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.35 1u0e h THR 432 Cb 0.62 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1u0e h THR 432 CO 0.04 0.50 0.16 -0.08 -0.25 0.00 0.00 175.52 175.89 1u0e h GLU 433 N 0.45 0.51 -0.33 4.72 4.81 -1.34 -0.99 114.58 122.41 1u0e h GLU 433 Ca 0.04 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1u0e h GLU 433 Cb 0.91 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1u0e h GLU 433 CO 0.08 0.47 0.20 0.00 -0.73 0.00 0.00 179.01 179.03 1u0e h ALA 434 N 1.02 0.42 -0.90 2.92 0.00 -0.53 0.14 119.26 122.33 1u0e h ALA 434 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u0e h ALA 434 Cb 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1u0e h ALA 434 CO -0.01 -0.10 0.59 -0.07 0.00 0.00 0.00 179.25 179.66 1u0e h LEU 435 N 0.43 1.00 0.12 0.00 3.38 -0.77 0.83 115.31 120.30 1u0e h LEU 435 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1u0e h LEU 435 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1u0e h LEU 435 CO -0.02 0.71 -0.06 -0.03 0.09 0.00 0.00 178.44 179.13 1u0e h MET 436 N 1.17 -0.15 0.14 1.13 4.05 -0.77 -1.34 114.93 119.16 1u0e h MET 436 Ca 0.34 0.01 -0.31 0.00 -0.28 0.00 0.00 59.70 59.46 1u0e h MET 436 Cb -0.07 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1u0e h MET 436 CO -0.09 0.26 -1.52 -0.22 0.23 0.00 0.00 176.91 175.57 1u0e h LYS 437 N -0.63 0.29 0.00 0.39 3.64 -0.63 -0.40 116.57 119.23 1u0e h LYS 437 Ca -0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1u0e h LYS 437 Cb 0.49 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1u0e h LYS 437 CO 0.03 1.17 0.00 0.41 -2.27 0.00 0.00 179.45 178.79 1u0e n GLY 438 N 1.67 0.52 2.71 5.01 0.00 0.28 -4.65 105.19 110.74 1u0e n GLY 438 Ca -0.16 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 1u0e n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0e s LYS 439 N 0.00 -0.03 0.60 1.61 2.20 -0.14 -4.90 119.74 119.09 1u0e s LYS 439 Ca 0.00 0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.84 1u0e s LYS 439 Cb 0.00 -0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 35.70 1u0e s LYS 439 CO 0.00 -0.36 1.06 -0.51 -0.36 0.00 0.00 175.35 175.17 1u0e s LEU 440 N 2.21 3.48 0.32 5.43 1.43 -1.26 -1.85 118.68 128.43 1u0e s LEU 440 Ca 0.04 1.81 0.09 0.00 -1.03 0.00 0.00 54.13 55.05 1u0e s LEU 440 Cb -0.12 -4.53 0.88 0.00 0.03 0.00 0.00 46.19 42.44 1u0e s LEU 440 CO -0.05 -1.19 1.73 -0.65 0.23 0.00 0.00 176.35 176.43 1u0e h PRO 441 N 0.38 0.58 -0.27 1.29 0.11 -1.95 -0.52 132.00 131.62 1u0e h PRO 441 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1u0e h PRO 441 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1u0e h PRO 441 CO 0.57 0.38 -0.18 1.05 -0.21 0.00 0.00 178.00 179.62 1u0e h GLU 442 N 0.60 0.47 -0.02 1.05 9.09 -1.99 0.20 114.58 123.98 1u0e h GLU 442 Ca 0.64 -0.15 -0.04 0.00 0.05 0.00 0.00 59.36 59.86 1u0e h GLU 442 Cb 1.20 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1u0e h GLU 442 CO -0.46 0.64 -0.15 0.93 0.05 0.00 0.00 179.01 180.01 1u0e h GLU 443 N 0.43 0.14 -0.67 1.06 5.08 -1.54 -3.03 114.58 116.05 1u0e h GLU 443 Ca 0.07 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1u0e h GLU 443 Cb 0.56 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1u0e h GLU 443 CO 0.04 0.80 0.31 0.00 -1.00 0.00 0.00 179.01 179.16 1u0e h ALA 444 N 0.35 1.28 -0.62 3.43 0.00 -0.99 -3.00 119.26 119.71 1u0e h ALA 444 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1u0e h ALA 444 Cb 0.83 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1u0e h ALA 444 CO 0.03 0.55 0.40 -0.09 0.00 0.00 0.00 179.25 180.14 1u0e h ARG 445 N 0.95 0.80 -0.44 0.00 2.43 -0.63 -2.11 114.38 115.39 1u0e h ARG 445 Ca 0.23 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1u0e h ARG 445 Cb 0.11 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1u0e h ARG 445 CO -0.03 0.53 0.18 0.87 -1.51 0.00 0.00 179.97 180.01 1u0e h LYS 446 N 0.82 0.62 -0.40 0.20 1.57 -1.40 -0.43 116.57 117.55 1u0e h LYS 446 Ca 0.23 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1u0e h LYS 446 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1u0e h LYS 446 CO -0.06 0.51 -0.08 0.93 -0.57 0.00 0.00 179.45 180.18 1u0e h GLU 447 N 0.62 0.76 -0.47 3.15 5.08 -1.33 -0.96 114.58 121.43 1u0e h GLU 447 Ca 0.15 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1u0e h GLU 447 Cb 0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1u0e h GLU 447 CO -0.02 0.89 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.65 1u0e h LEU 448 N 0.58 0.92 -0.58 1.33 3.38 -0.96 -1.34 115.31 118.65 1u0e h LEU 448 Ca 0.10 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1u0e h LEU 448 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1u0e h LEU 448 CO 0.04 1.08 0.20 1.56 0.09 0.00 0.00 178.44 181.40 1u0e h GLN 449 N 0.80 0.90 0.00 1.13 1.08 -0.96 -2.09 115.11 115.97 1u0e h GLN 449 Ca 0.12 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1u0e h GLN 449 Cb 0.71 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1u0e h GLN 449 CO 0.05 0.80 -0.32 0.00 -0.95 0.00 0.00 178.83 178.41 1u0e h ALA 450 N 1.06 1.32 0.00 3.87 0.00 -1.06 -1.93 119.26 122.52 1u0e h ALA 450 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u0e h ALA 450 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u0e h ALA 450 CO -0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1u0e n ALA 451 N -2.41 2.20 -1.08 0.00 0.00 -0.51 -4.91 120.51 113.80 1u0e n ALA 451 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1u0e n ALA 451 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1u0e n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0e n GLY 452 N 0.86 0.47 3.74 0.00 0.00 -0.72 -5.02 105.19 104.52 1u0e n GLY 452 Ca 0.10 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1u0e n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 453 N -2.19 4.32 0.89 1.61 -0.14 -0.81 -4.99 119.74 118.43 1u0e s LYS 453 Ca 0.00 2.18 -0.12 0.00 -1.36 0.00 0.00 55.97 56.67 1u0e s LYS 453 Cb 0.00 -3.16 0.09 0.00 -1.68 0.00 0.00 37.83 33.08 1u0e s LYS 453 CO 0.00 -0.35 0.90 -1.13 -0.76 0.00 0.00 175.35 174.01 1u0e n SER 454 N 2.63 -0.31 -0.23 2.83 3.41 -1.26 -4.67 113.62 116.02 1u0e n SER 454 Ca 0.07 0.45 0.02 0.00 -0.26 0.00 0.00 58.87 59.14 1u0e n SER 454 Cb 0.41 -1.39 0.10 0.00 -0.26 0.00 0.00 64.21 63.07 1u0e n SER 454 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1u0e h PRO 455 N -1.46 0.04 -0.17 4.33 0.11 -1.99 0.98 132.00 133.84 1u0e h PRO 455 Ca -0.44 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 1u0e h PRO 455 Cb 1.29 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1u0e h PRO 455 CO 0.40 0.03 -0.63 0.93 -0.21 0.00 0.00 178.00 178.52 1u0e h GLU 456 N 0.04 0.73 -0.69 1.05 4.39 -2.00 -2.47 114.58 115.64 1u0e h GLU 456 Ca 0.35 -0.56 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 1u0e h GLU 456 Cb 0.56 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1u0e h GLU 456 CO -0.66 1.17 0.29 -0.44 -1.16 0.00 0.00 179.01 178.21 1u0e h ASP 457 N 0.44 0.94 -0.07 1.42 3.45 -1.89 -1.72 116.42 118.99 1u0e h ASP 457 Ca -0.03 -0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.30 1u0e h ASP 457 Cb 1.26 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.75 1u0e h ASP 457 CO 0.13 0.84 -0.11 0.25 -1.57 0.00 0.00 179.24 178.79 1u0e h LEU 458 N 0.97 -0.34 -1.04 1.55 6.46 -0.76 -0.34 115.31 121.81 1u0e h LEU 458 Ca 0.23 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.97 1u0e h LEU 458 Cb 0.19 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1u0e h LEU 458 CO -0.02 -0.15 -0.21 -0.08 -0.62 0.00 0.00 178.44 177.35 1u0e h GLU 459 N -0.16 0.43 -0.34 1.25 4.57 -1.31 -0.66 114.58 118.37 1u0e h GLU 459 Ca 0.07 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 1u0e h GLU 459 Cb 0.25 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1u0e h GLU 459 CO -0.17 0.62 -0.43 0.87 -1.18 0.00 0.00 179.01 178.73 1u0e h LYS 460 N 0.39 0.87 0.00 1.92 1.57 -1.04 -3.28 116.57 116.99 1u0e h LYS 460 Ca 0.06 -0.48 -0.19 0.00 -1.87 0.00 0.00 60.65 58.17 1u0e h LYS 460 Cb 0.59 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1u0e h LYS 460 CO 0.04 1.12 -0.95 -0.07 -0.57 0.00 0.00 179.45 179.02 1u0e h LEU 461 N 0.70 0.00 -0.54 2.94 3.38 -0.79 -3.41 115.31 117.59 1u0e h LEU 461 Ca 0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1u0e h LEU 461 Cb 1.02 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 1u0e h LEU 461 CO 0.10 0.87 -0.30 0.25 0.09 0.00 0.00 178.44 179.45 1u0e h LEU 462 N 0.00 -1.02 -1.47 1.67 5.85 -1.19 -1.70 115.31 117.45 1u0e h LEU 462 Ca -0.04 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1u0e h LEU 462 Cb 1.69 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 43.23 1u0e h LEU 462 CO 0.11 -0.29 -0.07 1.55 -0.34 0.00 0.00 178.44 179.40 1u0e h PRO 463 N -0.16 0.26 0.00 5.25 0.13 -1.79 -1.26 132.00 134.43 1u0e h PRO 463 Ca 0.23 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1u0e h PRO 463 Cb 0.53 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1u0e h PRO 463 CO -0.63 0.34 -0.15 0.45 -0.23 0.00 0.00 178.00 177.78 1u0e h HIS 464 N 0.25 0.00 -0.00 1.56 3.86 -1.58 -2.96 115.15 116.28 1u0e h HIS 464 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1u0e h HIS 464 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1u0e h HIS 464 CO 0.00 0.15 -0.58 1.63 0.86 0.00 0.00 177.93 179.99 1u0e n LYS 465 N -3.95 0.06 -2.78 2.45 4.76 -0.49 -4.89 118.16 113.31 1u0e n LYS 465 Ca -0.02 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 1u0e n LYS 465 Cb 0.24 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1u0e n LYS 465 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1u0e s VAL 466 N -2.97 4.57 -0.25 -0.18 1.01 -1.09 -4.87 120.40 116.63 1u0e s VAL 466 Ca 0.11 1.99 -0.06 0.00 0.00 0.00 0.00 61.98 64.02 1u0e s VAL 466 Cb 0.17 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1u0e s VAL 466 CO 0.72 0.32 0.03 -0.36 0.00 0.00 0.00 175.10 175.81 1u0e s PHE 467 N 0.06 3.05 0.27 5.22 0.40 -0.77 -4.92 117.98 121.28 1u0e s PHE 467 Ca 0.46 -0.66 0.26 0.00 -0.60 0.00 0.00 56.93 56.39 1u0e s PHE 467 Cb -0.23 -2.20 1.19 0.00 0.51 0.00 0.00 43.02 42.30 1u0e s PHE 467 CO 0.28 -0.45 1.95 0.93 0.70 0.00 0.00 175.22 178.63 1u0e h GLU 468 N 8.20 0.00 0.00 0.44 5.08 -1.83 -0.33 114.58 126.14 1u0e h GLU 468 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1u0e h GLU 468 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1u0e h GLU 468 CO 0.59 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 179.18 1u0e n GLY 469 N -0.24 1.07 2.64 -3.84 0.00 -1.26 -4.71 105.19 98.86 1u0e n GLY 469 Ca -0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1u0e n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u0e n ASN 470 N -2.79 -5.58 -4.50 1.61 5.15 -0.16 -4.92 115.26 104.06 1u0e n ASN 470 Ca 0.00 -0.09 -0.39 0.00 -0.60 0.00 0.00 54.58 53.50 1u0e n ASN 470 Cb 0.00 -4.61 -0.11 0.00 -0.53 0.00 0.00 39.78 34.53 1u0e n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1u0e s ARG 471 N -5.29 3.53 0.32 1.20 0.52 -0.55 -4.92 118.95 113.76 1u0e s ARG 471 Ca 0.11 -0.60 -0.26 0.00 -0.52 0.00 0.00 55.73 54.46 1u0e s ARG 471 Cb -0.05 -3.67 -0.10 0.00 0.52 0.00 0.00 34.95 31.65 1u0e s ARG 471 CO 0.14 -0.37 0.94 -1.25 0.02 0.00 0.00 175.30 174.78 1u0e s PRO 472 N 1.69 4.59 0.05 3.54 0.04 -1.26 -3.71 135.00 139.94 1u0e s PRO 472 Ca 0.06 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1u0e s PRO 472 Cb -0.17 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1u0e s PRO 472 CO 0.09 0.28 0.00 0.95 0.04 0.00 0.00 177.00 178.36 1u0e s THR 473 N -1.61 0.20 -0.03 1.26 -4.23 -0.79 -3.52 115.64 106.93 1u0e s THR 473 Ca 0.50 -1.68 -0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1u0e s THR 473 Cb -0.19 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 1u0e s THR 473 CO 0.24 -0.93 0.03 0.20 -0.54 0.00 0.00 174.62 173.62 1u0e s ASN 474 N -2.84 5.36 -0.17 3.99 0.01 -0.22 -4.07 114.94 117.01 1u0e s ASN 474 Ca 0.06 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1u0e s ASN 474 Cb 0.07 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.25 1u0e s ASN 474 CO -0.10 0.31 -0.15 -0.44 -1.51 0.00 0.00 177.10 175.20 1u0e s SER 475 N -1.44 3.57 -0.28 -1.22 0.01 -0.56 -0.44 113.70 113.34 1u0e s SER 475 Ca 0.19 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.95 1u0e s SER 475 Cb -0.12 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.62 1u0e s SER 475 CO 0.09 0.05 -0.06 -0.63 0.41 0.00 0.00 173.24 173.10 1u0e s ILE 476 N 1.04 2.42 -0.07 1.44 1.01 0.43 -0.88 121.20 126.60 1u0e s ILE 476 Ca -0.01 -1.64 0.05 0.00 0.00 0.00 0.00 60.65 59.05 1u0e s ILE 476 Cb -0.15 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1u0e s ILE 476 CO -0.04 -0.11 -0.22 -0.69 0.00 0.00 0.00 174.94 173.87 1u0e s VAL 477 N 1.12 2.30 0.06 2.92 1.01 -0.50 -1.65 120.40 125.66 1u0e s VAL 477 Ca -0.06 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1u0e s VAL 477 Cb -0.20 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1u0e s VAL 477 CO -0.04 0.57 -0.07 0.72 0.00 0.00 0.00 175.10 176.27 1u0e s PHE 478 N -0.13 0.73 0.19 5.22 -0.12 -0.72 -0.11 117.98 123.05 1u0e s PHE 478 Ca -0.04 -0.62 -0.17 0.00 -0.05 0.00 0.00 56.93 56.05 1u0e s PHE 478 Cb -0.14 -0.44 0.16 0.00 -0.63 0.00 0.00 43.02 41.97 1u0e s PHE 478 CO 0.04 -0.10 1.62 1.15 -0.05 0.00 0.00 175.22 177.88 1u0e h THR 479 N 4.06 0.33 -1.86 -4.49 2.02 -1.63 0.34 112.91 111.68 1u0e h THR 479 Ca -0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1u0e h THR 479 Cb 1.19 0.33 -0.21 0.00 -1.74 0.00 0.00 68.15 67.72 1u0e h THR 479 CO 0.47 0.00 0.28 -0.75 0.37 0.00 0.00 175.52 175.90 1u0e s LYS 480 N -6.14 0.83 -1.30 6.66 2.20 -1.26 -1.02 119.74 119.70 1u0e s LYS 480 Ca -0.14 0.49 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 1u0e s LYS 480 Cb 0.17 0.40 0.10 0.00 -1.51 0.00 0.00 37.83 36.98 1u0e s LYS 480 CO 0.71 -0.20 1.75 -0.11 -0.36 0.00 0.00 175.35 177.14 1u0e n LEU 481 N 1.54 5.42 -4.95 5.43 7.94 -1.26 -4.73 117.00 126.39 1u0e n LEU 481 Ca -0.15 -4.13 -0.24 0.00 -1.11 0.00 0.00 56.01 50.38 1u0e n LEU 481 Cb 0.56 -1.69 0.05 0.00 0.53 0.00 0.00 43.42 42.87 1u0e n LEU 481 CO 0.14 0.51 0.48 0.42 -1.11 0.00 0.00 177.39 177.83 1u0e s THR 482 N 3.19 2.69 0.20 1.96 -4.23 -1.26 -4.88 115.64 113.31 1u0e s THR 482 Ca 0.49 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1u0e s THR 482 Cb 0.04 -3.08 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1u0e s THR 482 CO 0.03 -0.07 1.74 -0.65 -0.54 0.00 0.00 174.62 175.13 1u0e h PRO 483 N -0.21 0.35 -0.07 3.99 0.11 -1.93 -0.18 132.00 134.07 1u0e h PRO 483 Ca -0.44 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1u0e h PRO 483 Cb 1.30 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1u0e h PRO 483 CO 0.57 0.23 -0.12 0.35 -0.21 0.00 0.00 178.00 178.82 1u0e h PHE 484 N 0.36 -0.29 -0.45 0.65 3.57 -1.87 -0.47 116.94 118.44 1u0e h PHE 484 Ca 0.28 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1u0e h PHE 484 Cb 0.35 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1u0e h PHE 484 CO -0.18 -0.18 0.05 0.82 -2.23 0.00 0.00 178.31 176.60 1u0e h ILE 485 N -0.17 1.25 -0.87 1.41 1.08 -1.79 -1.67 117.51 116.76 1u0e h ILE 485 Ca 0.07 -0.94 0.06 0.00 -0.39 0.00 0.00 64.86 63.66 1u0e h ILE 485 Cb 0.26 0.99 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 1u0e h ILE 485 CO -0.17 0.33 0.54 0.25 -0.69 0.00 0.00 178.15 178.42 1u0e h LEU 486 N 0.61 0.86 -0.49 1.44 5.85 -0.90 -0.45 115.31 122.23 1u0e h LEU 486 Ca 0.13 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1u0e h LEU 486 Cb 0.41 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1u0e h LEU 486 CO 0.01 0.55 0.32 1.23 -0.34 0.00 0.00 178.44 180.21 1u0e h GLY 487 N 0.99 0.70 0.87 3.75 0.00 -0.52 -1.31 103.07 107.55 1u0e h GLY 487 Ca 0.38 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1u0e h GLY 487 CO -0.17 0.23 0.27 0.00 0.00 0.00 0.00 176.54 176.87 1u0e h ALA 488 N 1.19 0.59 -0.49 3.60 0.00 -0.80 -1.97 119.26 121.38 1u0e h ALA 488 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1u0e h ALA 488 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1u0e h ALA 488 CO -0.06 -0.05 0.27 -0.07 0.00 0.00 0.00 179.25 179.34 1u0e h LEU 489 N 0.54 0.60 -0.22 0.00 3.38 -0.60 -0.65 115.31 118.36 1u0e h LEU 489 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1u0e h LEU 489 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1u0e h LEU 489 CO -0.09 0.52 0.04 0.40 0.09 0.00 0.00 178.44 179.39 1u0e h ILE 490 N 0.65 1.23 -0.72 1.22 2.04 -1.18 -2.66 117.51 118.08 1u0e h ILE 490 Ca 0.17 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1u0e h ILE 490 Cb 0.04 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1u0e h ILE 490 CO -0.03 0.23 0.47 0.00 0.00 0.00 0.00 178.15 178.83 1u0e h ALA 491 N 0.85 1.48 -0.55 1.87 0.00 -1.20 -0.62 119.26 121.09 1u0e h ALA 491 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1u0e h ALA 491 Cb 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1u0e h ALA 491 CO 0.00 0.48 0.33 1.98 0.00 0.00 0.00 179.25 182.04 1u0e h MET 492 N 0.98 0.62 -0.18 0.00 -1.53 -0.92 -0.38 114.93 113.53 1u0e h MET 492 Ca 0.26 -0.04 -0.18 0.00 -3.44 0.00 0.00 59.70 56.31 1u0e h MET 492 Cb -0.11 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 30.80 1u0e h MET 492 CO -0.06 0.41 -0.62 1.88 0.14 0.00 0.00 176.91 178.67 1u0e h TYR 493 N 0.64 0.82 -0.75 1.39 -1.99 -1.06 -1.08 116.97 114.94 1u0e h TYR 493 Ca 0.22 -0.31 0.11 0.00 2.00 0.00 0.00 58.73 60.75 1u0e h TYR 493 Cb 0.04 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.54 1u0e h TYR 493 CO -0.07 1.09 0.38 0.93 -0.00 0.00 0.00 178.16 180.49 1u0e h GLU 494 N 0.47 0.60 0.00 4.88 5.08 -0.74 -1.14 114.58 123.73 1u0e h GLU 494 Ca -0.01 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1u0e h GLU 494 Cb 1.20 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1u0e h GLU 494 CO 0.12 0.40 -0.87 0.45 -1.00 0.00 0.00 179.01 178.11 1u0e h HIS 495 N 0.62 0.00 -0.04 4.33 3.86 -0.89 -1.73 115.15 121.30 1u0e h HIS 495 Ca 0.38 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.62 1u0e h HIS 495 Cb 0.44 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 1u0e h HIS 495 CO -0.10 0.87 -0.15 -0.22 0.86 0.00 0.00 177.93 179.19 1u0e h LYS 496 N 0.00 -0.22 -0.81 2.45 3.64 -0.69 -1.38 116.57 119.55 1u0e h LYS 496 Ca -0.01 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1u0e h LYS 496 Cb 1.56 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.38 1u0e h LYS 496 CO 0.11 -0.15 0.51 0.82 -2.27 0.00 0.00 179.45 178.48 1u0e h ILE 497 N -0.23 1.11 0.22 2.00 2.04 -1.06 -1.64 117.51 119.95 1u0e h ILE 497 Ca 0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1u0e h ILE 497 Cb 0.31 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1u0e h ILE 497 CO -0.17 0.18 -0.17 0.15 0.00 0.00 0.00 178.15 178.14 1u0e h PHE 498 N 0.99 -0.43 -0.54 1.37 3.57 -1.09 -1.61 116.94 119.19 1u0e h PHE 498 Ca 0.33 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1u0e h PHE 498 Cb 0.04 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1u0e h PHE 498 CO -0.03 -0.26 0.22 0.28 -2.23 0.00 0.00 178.31 176.30 1u0e h VAL 499 N -0.39 0.85 -0.65 1.41 2.07 -0.95 -1.84 116.25 116.75 1u0e h VAL 499 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1u0e h VAL 499 Cb 0.35 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1u0e h VAL 499 CO -0.01 0.08 0.43 1.56 0.02 0.00 0.00 177.57 179.65 1u0e h GLN 500 N 0.43 0.86 -0.82 1.57 4.20 -1.13 -2.09 115.11 118.13 1u0e h GLN 500 Ca 0.26 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1u0e h GLN 500 Cb 0.26 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1u0e h GLN 500 CO -0.24 0.58 0.47 0.78 -0.67 0.00 0.00 178.83 179.75 1u0e h GLY 501 N 0.88 1.21 0.96 3.46 0.00 -0.72 -1.02 103.07 107.85 1u0e h GLY 501 Ca 0.24 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1u0e h GLY 501 CO -0.05 0.51 0.21 -2.22 0.00 0.00 0.00 176.54 174.99 1u0e h ILE 502 N 1.13 1.19 -0.36 2.60 1.08 -1.06 -1.01 117.51 121.08 1u0e h ILE 502 Ca 0.29 -0.54 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1u0e h ILE 502 Cb -0.01 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1u0e h ILE 502 CO -0.05 0.21 -0.00 0.24 -0.69 0.00 0.00 178.15 177.85 1u0e h MET 503 N 0.59 0.57 0.00 2.37 2.86 -0.98 -1.19 114.93 119.15 1u0e h MET 503 Ca 0.16 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1u0e h MET 503 Cb 0.13 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1u0e h MET 503 CO -0.02 0.60 0.00 0.91 1.06 0.00 0.00 176.91 179.46 1u0e n TRP 504 N -4.26 0.00 -1.86 -0.22 8.01 -0.42 -4.50 117.44 114.18 1u0e n TRP 504 Ca 0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.07 1u0e n TRP 504 Cb 0.26 -0.39 -0.03 0.00 -2.01 0.00 0.00 31.31 29.14 1u0e n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1u0e n ASP 505 N -1.39 -4.38 -4.86 -0.99 2.03 -0.45 -4.75 116.55 101.75 1u0e n ASP 505 Ca 0.11 0.15 -0.21 0.00 0.52 0.00 0.00 54.79 55.35 1u0e n ASP 505 Cb 0.28 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.31 1u0e n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1u0e s ILE 506 N -2.59 3.04 -0.59 5.18 -4.36 -0.46 -1.13 121.20 120.29 1u0e s ILE 506 Ca 0.00 -1.36 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 1u0e s ILE 506 Cb 0.00 -3.08 0.07 0.00 1.25 0.00 0.00 42.46 40.70 1u0e s ILE 506 CO 0.00 -0.08 0.83 0.21 0.24 0.00 0.00 174.94 176.14 1u0e s ASN 507 N -4.07 6.22 0.01 4.36 3.84 -1.26 -4.45 114.94 119.60 1u0e s ASN 507 Ca 0.45 -0.93 0.10 0.00 0.21 0.00 0.00 52.86 52.69 1u0e s ASN 507 Cb -0.04 -2.37 0.43 0.00 -0.55 0.00 0.00 41.25 38.72 1u0e s ASN 507 CO 0.27 -1.21 1.32 -1.20 -2.79 0.00 0.00 177.10 173.49 1u0e n SER 508 N 7.04 0.03 -0.24 -4.21 7.64 -1.26 -3.79 113.62 118.82 1u0e n SER 508 Ca -0.04 0.51 0.03 0.00 1.01 0.00 0.00 58.87 60.38 1u0e n SER 508 Cb 0.45 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1u0e n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1u0e n PHE 509 N -1.53 0.00 -3.49 1.43 3.01 -1.26 -4.40 117.46 111.21 1u0e n PHE 509 Ca 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 1u0e n PHE 509 Cb 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1u0e n PHE 509 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1u0e s ASP 510 N -0.55 4.87 -0.42 4.37 1.47 -1.25 -4.98 116.67 120.19 1u0e s ASP 510 Ca 0.07 -1.03 0.09 0.00 1.18 0.00 0.00 52.55 52.85 1u0e s ASP 510 Cb 0.05 0.29 0.35 0.00 -0.34 0.00 0.00 42.92 43.28 1u0e s ASP 510 CO 0.08 -1.17 1.11 0.00 0.68 0.00 0.00 175.17 175.87 1u0e n GLN 511 N -1.96 1.07 0.25 2.11 0.00 -1.26 -4.80 117.38 112.79 1u0e n GLN 511 Ca 0.06 -2.21 0.17 0.00 0.00 0.00 0.00 57.00 55.02 1u0e n GLN 511 Cb 0.63 -0.89 0.77 0.00 0.00 0.00 0.00 30.24 30.74 1u0e n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1u0e h TRP 512 N 2.74 0.00 0.00 2.61 4.06 -1.98 -3.03 115.95 120.36 1u0e h TRP 512 Ca -0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1u0e h TRP 512 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1u0e h TRP 512 CO 0.31 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.60 1u0e n GLY 513 N -0.39 -1.05 0.00 1.49 0.00 -1.26 -2.77 105.19 101.21 1u0e n GLY 513 Ca -0.00 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1u0e n GLY 513 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u0e n VAL 514 N -1.25 0.02 -0.06 1.61 0.24 -1.14 -4.51 118.33 113.23 1u0e n VAL 514 Ca 0.12 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 1u0e n VAL 514 Cb 0.18 0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 32.86 1u0e n VAL 514 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1u0e h GLU 515 N 0.00 0.32 -0.60 7.34 4.81 -1.75 -3.14 114.58 121.56 1u0e h GLU 515 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1u0e h GLU 515 Cb 0.52 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1u0e h GLU 515 CO 0.00 0.52 0.34 1.25 -0.73 0.00 0.00 179.01 180.39 1u0e h LEU 516 N 0.08 0.74 -1.11 1.64 5.85 -1.81 -0.97 115.31 119.73 1u0e h LEU 516 Ca 0.05 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1u0e h LEU 516 Cb 0.37 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1u0e h LEU 516 CO 0.01 0.61 -0.07 1.23 -0.34 0.00 0.00 178.44 179.88 1u0e h GLY 517 N 0.81 0.58 0.95 3.75 0.00 -1.85 -1.41 103.07 105.90 1u0e h GLY 517 Ca 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1u0e h GLY 517 CO -0.04 0.36 -0.01 0.50 0.00 0.00 0.00 176.54 177.35 1u0e h LYS 518 N 0.51 0.71 -0.38 4.80 1.57 -1.36 -1.63 116.57 120.78 1u0e h LYS 518 Ca 0.10 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u0e h LYS 518 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1u0e h LYS 518 CO 0.02 0.80 0.22 1.96 -0.57 0.00 0.00 179.45 181.89 1u0e h GLN 519 N 0.53 0.53 -0.09 3.15 4.20 -0.81 -2.48 115.11 120.14 1u0e h GLN 519 Ca 0.11 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1u0e h GLN 519 Cb 0.49 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1u0e h GLN 519 CO 0.02 0.41 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.01 1u0e h LEU 520 N 0.50 0.27 -0.42 1.46 3.38 -1.23 -2.96 115.31 116.30 1u0e h LEU 520 Ca 0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1u0e h LEU 520 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1u0e h LEU 520 CO -0.02 0.74 -0.03 0.00 0.09 0.00 0.00 178.44 179.22 1u0e h ALA 521 N 1.27 0.57 -0.44 1.53 0.00 -1.16 -2.29 119.26 118.74 1u0e h ALA 521 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1u0e h ALA 521 Cb 0.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1u0e h ALA 521 CO 0.08 0.38 0.30 0.87 0.00 0.00 0.00 179.25 180.88 1u0e h LYS 522 N 0.59 0.43 -0.14 0.00 1.79 -1.35 -0.59 116.57 117.30 1u0e h LYS 522 Ca 0.12 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.37 1u0e h LYS 522 Cb 0.52 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1u0e h LYS 522 CO 0.03 0.29 -0.69 0.87 -1.08 0.00 0.00 179.45 178.86 1u0e h LYS 523 N 0.45 0.61 0.08 3.15 1.57 -1.33 -3.33 116.57 117.76 1u0e h LYS 523 Ca 0.18 -0.46 -0.26 0.00 -1.87 0.00 0.00 60.65 58.24 1u0e h LYS 523 Cb 0.17 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1u0e h LYS 523 CO -0.05 1.08 -1.14 0.82 -0.57 0.00 0.00 179.45 179.60 1u0e h ILE 524 N 0.43 1.41 -0.77 1.86 2.04 -0.88 -3.38 117.51 118.22 1u0e h ILE 524 Ca -0.03 -2.69 0.10 0.00 1.00 0.00 0.00 64.86 63.25 1u0e h ILE 524 Cb 1.28 2.70 -0.12 0.00 -0.74 0.00 0.00 36.82 39.94 1u0e h ILE 524 CO 0.13 0.80 -0.47 -0.08 0.00 0.00 0.00 178.15 178.53 1u0e h GLU 525 N 0.18 -0.12 0.00 2.37 4.81 -1.24 -0.19 114.58 120.39 1u0e h GLU 525 Ca -0.13 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1u0e h GLU 525 Cb 1.82 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.22 1u0e h GLU 525 CO 0.20 -0.08 -0.06 -1.00 -0.73 0.00 0.00 179.01 177.34 1u0e h PRO 526 N -0.13 0.00 0.00 0.92 0.13 -1.77 -2.84 132.00 128.31 1u0e h PRO 526 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1u0e h PRO 526 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1u0e h PRO 526 CO -0.82 0.06 -0.08 0.93 -0.23 0.00 0.00 178.00 177.86 1u0e h GLU 527 N 0.00 0.00 0.01 0.86 5.08 -1.20 -3.16 114.58 116.17 1u0e h GLU 527 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1u0e h GLU 527 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1u0e h GLU 527 CO 0.01 0.08 -0.91 -0.07 -1.00 0.00 0.00 179.01 177.12 1u0e h LEU 528 N 0.00 0.16 0.00 1.33 3.38 -1.32 -3.38 115.31 115.49 1u0e h LEU 528 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1u0e h LEU 528 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1u0e h LEU 528 CO 0.01 0.98 0.00 -0.62 0.09 0.00 0.00 178.44 178.90 1u0e n GLU 529 N -3.58 0.00 -0.69 1.13 1.02 -1.19 -4.83 120.64 112.49 1u0e n GLU 529 Ca -0.03 0.88 -0.15 0.00 -0.02 0.00 0.00 57.16 57.84 1u0e n GLU 529 Cb 0.84 -1.42 0.12 0.00 -0.02 0.00 0.00 31.44 30.95 1u0e n GLU 529 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u0e n GLY 530 N -0.99 -2.10 0.01 0.62 0.00 -1.26 -4.97 105.19 96.49 1u0e n GLY 530 Ca 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1u0e n GLY 530 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0e n SER 531 N -3.73 0.61 -4.77 1.61 3.41 -1.26 -4.98 113.62 104.51 1u0e n SER 531 Ca 0.08 -0.31 -0.35 0.00 -0.26 0.00 0.00 58.87 58.02 1u0e n SER 531 Cb 0.29 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1u0e n SER 531 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1u0e s SER 532 N -3.30 5.74 0.27 4.04 1.04 -1.26 -4.97 113.70 115.26 1u0e s SER 532 Ca 0.09 2.20 -0.29 0.00 0.48 0.00 0.00 55.95 58.42 1u0e s SER 532 Cb 0.16 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.60 1u0e s SER 532 CO 0.75 -1.20 1.30 0.00 0.98 0.00 0.00 173.24 175.07 1u0e s ALA 533 N -1.74 3.52 -0.23 5.32 0.00 -1.26 -5.01 121.76 122.36 1u0e s ALA 533 Ca 0.72 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.74 1u0e s ALA 533 Cb -0.25 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 1u0e s ALA 533 CO 0.28 -0.57 0.24 0.08 0.00 0.00 0.00 175.76 175.79 1u0e s VAL 534 N -0.55 5.31 0.00 0.00 1.01 -1.26 -4.94 120.40 119.97 1u0e s VAL 534 Ca 0.53 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1u0e s VAL 534 Cb -0.38 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1u0e s VAL 534 CO 0.45 0.31 0.64 0.35 0.00 0.00 0.00 175.10 176.86 1u0e n THR 535 N 4.35 0.41 1.85 3.92 -2.24 -1.26 -4.73 114.28 116.58 1u0e n THR 535 Ca -0.13 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1u0e n THR 535 Cb 0.52 0.92 0.63 0.00 -2.10 0.00 0.00 70.33 70.29 1u0e n THR 535 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u0e n SER 536 N -0.20 0.34 -2.74 3.42 3.41 -1.26 -4.86 113.62 111.74 1u0e n SER 536 Ca 0.00 -1.36 -0.10 0.00 -0.26 0.00 0.00 58.87 57.15 1u0e n SER 536 Cb 0.21 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1u0e n SER 536 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u0e n HIS 537 N -0.62 0.32 -0.64 7.33 8.25 -1.26 -5.11 115.22 123.49 1u0e n HIS 537 Ca 0.17 -0.78 -0.30 0.00 -0.26 0.00 0.00 57.72 56.55 1u0e n HIS 537 Cb 0.13 -0.09 0.20 0.00 1.12 0.00 0.00 29.99 31.35 1u0e n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1u0e s ASP 538 N -1.85 2.18 0.46 0.41 1.47 -1.26 -4.73 116.67 113.34 1u0e s ASP 538 Ca 0.01 1.95 0.18 0.00 1.18 0.00 0.00 52.55 55.87 1u0e s ASP 538 Cb 0.00 -2.48 1.09 0.00 -0.34 0.00 0.00 42.92 41.20 1u0e s ASP 538 CO 0.01 -3.53 1.98 0.77 0.68 0.00 0.00 175.17 175.08 1u0e h SER 539 N -2.16 0.00 0.26 2.11 4.64 -1.98 -1.52 113.55 114.90 1u0e h SER 539 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1u0e h SER 539 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1u0e h SER 539 CO 0.45 0.20 -0.13 -1.28 -0.87 0.00 0.00 176.83 175.20 1u0e h SER 540 N 0.00 -0.30 -0.70 4.97 0.87 -1.98 0.12 113.55 116.53 1u0e h SER 540 Ca -0.00 -0.23 0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1u0e h SER 540 Cb 0.40 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1u0e h SER 540 CO 0.03 0.13 0.30 0.74 -0.53 0.00 0.00 176.83 177.50 1u0e h THR 541 N -0.82 0.76 -0.46 2.23 2.02 -1.89 0.25 112.91 115.00 1u0e h THR 541 Ca -0.04 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1u0e h THR 541 Cb 0.51 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1u0e h THR 541 CO 0.06 0.09 0.30 0.78 0.37 0.00 0.00 175.52 177.12 1u0e h ASN 542 N 0.49 0.54 -0.72 4.18 2.35 -1.31 -1.52 115.58 119.60 1u0e h ASN 542 Ca 0.36 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1u0e h ASN 542 Cb 0.47 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1u0e h ASN 542 CO -0.33 0.41 0.21 1.23 -1.65 0.00 0.00 177.43 177.30 1u0e h GLY 543 N 0.63 1.22 1.06 2.83 0.00 0.45 -0.15 103.07 109.11 1u0e h GLY 543 Ca 0.17 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1u0e h GLY 543 CO -0.04 0.69 0.11 1.41 0.00 0.00 0.00 176.54 178.71 1u0e h LEU 544 N 1.08 1.05 -0.45 3.11 3.38 -0.44 -1.53 115.31 121.50 1u0e h LEU 544 Ca 0.23 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1u0e h LEU 544 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1u0e h LEU 544 CO -0.00 1.04 0.08 0.40 0.09 0.00 0.00 178.44 180.05 1u0e h ILE 545 N 1.01 1.24 -0.74 1.22 2.04 -0.93 -1.63 117.51 119.73 1u0e h ILE 545 Ca 0.20 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 65.29 1u0e h ILE 545 Cb 0.44 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1u0e h ILE 545 CO 0.01 0.31 0.37 -1.28 0.00 0.00 0.00 178.15 177.56 1u0e h SER 546 N 0.60 0.48 -0.16 1.72 0.87 -0.85 0.08 113.55 116.30 1u0e h SER 546 Ca 0.14 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1u0e h SER 546 Cb 0.36 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1u0e h SER 546 CO 0.01 0.26 0.03 0.15 -0.53 0.00 0.00 176.83 176.75 1u0e h PHE 547 N 0.62 0.28 -0.42 2.24 3.57 -0.94 -1.27 116.94 121.02 1u0e h PHE 547 Ca 0.37 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1u0e h PHE 547 Cb 0.41 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1u0e h PHE 547 CO -0.10 0.43 0.02 0.82 -2.23 0.00 0.00 178.31 177.25 1u0e h ILE 548 N 0.05 0.71 -0.33 1.41 2.04 -1.00 0.12 117.51 120.51 1u0e h ILE 548 Ca 0.05 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1u0e h ILE 548 Cb 0.30 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1u0e h ILE 548 CO 0.00 0.02 -0.04 0.11 0.00 0.00 0.00 178.15 178.25 1u0e h LYS 549 N 0.14 0.52 -0.07 2.37 1.57 -0.81 -2.04 116.57 118.25 1u0e h LYS 549 Ca 0.21 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 1u0e h LYS 549 Cb 0.28 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1u0e h LYS 549 CO -0.32 0.58 -0.76 0.37 -0.57 0.00 0.00 179.45 178.75 1u0e h GLN 550 N 0.50 0.64 -0.00 3.15 4.15 -0.78 -3.33 115.11 119.44 1u0e h GLN 550 Ca 0.10 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1u0e h GLN 550 Cb 0.39 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1u0e h GLN 550 CO 0.02 1.20 -0.33 1.04 -1.93 0.00 0.00 178.83 178.83 1u0e n GLN 551 N -4.04 0.05 0.13 1.69 1.13 0.37 -3.99 117.38 112.73 1u0e n GLN 551 Ca -0.09 -0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.07 1u0e n GLN 551 Cb 0.74 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 30.02 1u0e n GLN 551 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1u0e h ARG 552 N 0.06 0.00 -0.01 -1.09 0.11 -1.48 -2.95 114.38 109.02 1u0e h ARG 552 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1u0e h ARG 552 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1u0e h ARG 552 CO 0.00 0.00 -0.75 -0.25 0.10 0.00 0.00 179.97 179.07 1u0e n ASP 553 N -2.36 1.49 -4.72 0.08 8.00 -1.26 -4.97 116.55 112.82 1u0e n ASP 553 Ca 0.04 -1.24 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 1u0e n ASP 553 Cb 0.36 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.18 1u0e n ASP 553 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u0e s THR 554 N -2.75 3.03 -0.36 -3.53 2.01 -1.12 -4.99 115.64 107.94 1u0e s THR 554 Ca 0.13 0.73 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 1u0e s THR 554 Cb 0.17 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 1u0e s THR 554 CO 0.73 0.05 0.31 -0.54 -0.69 0.00 0.00 174.62 174.48 1u0e s LYS 555 N 1.19 3.37 0.00 4.92 -0.14 -1.26 -5.10 119.74 122.71 1u0e s LYS 555 Ca 0.67 -0.67 0.25 0.00 -1.36 0.00 0.00 55.97 54.86 1u0e s LYS 555 Cb -0.40 -3.86 0.37 0.00 -1.68 0.00 0.00 37.83 32.27 1u0e s LYS 555 CO 0.31 -0.57 1.36 1.28 -0.76 0.00 0.00 175.35 176.97