#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3u h ALA 2 N 0.00 1.16 0.00 0.00 0.00 -2.07 -3.31 119.26 115.04 1b3u h ALA 2 Ca 0.00 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 1b3u h ALA 2 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1b3u h ALA 2 CO 0.00 0.54 3.37 0.00 0.00 0.00 0.00 179.25 183.16 1b3u n ALA 3 N -2.48 6.22 -2.18 0.00 0.00 -1.26 -4.01 120.51 116.79 1b3u n ALA 3 Ca -0.01 -3.68 -0.04 0.00 0.00 0.00 0.00 53.44 49.71 1b3u n ALA 3 Cb 0.40 -3.47 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 1b3u n ALA 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b3u n ASP 4 N 5.15 -0.63 -0.13 0.00 8.00 -1.25 -4.96 116.55 122.74 1b3u n ASP 4 Ca 0.62 -2.02 -0.09 0.00 0.71 0.00 0.00 54.79 54.00 1b3u n ASP 4 Cb 0.32 0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1b3u n ASP 4 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1b3u h GLY 5 N 0.35 0.60 1.38 0.44 0.00 -1.89 2.03 103.07 105.99 1b3u h GLY 5 Ca -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1b3u h GLY 5 CO -0.20 0.30 0.00 1.22 0.00 0.00 0.00 176.54 177.86 1b3u n ASP 6 N -4.68 0.00 -0.02 0.19 9.92 -1.26 -3.91 116.55 116.80 1b3u n ASP 6 Ca -0.01 -0.36 -0.02 0.00 -0.53 0.00 0.00 54.79 53.88 1b3u n ASP 6 Cb 0.14 -0.19 -0.01 0.00 -0.64 0.00 0.00 41.12 40.42 1b3u n ASP 6 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1b3u n ASP 7 N -1.19 0.42 0.00 -2.24 9.92 -0.51 -4.85 116.55 118.10 1b3u n ASP 7 Ca 0.16 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1b3u n ASP 7 Cb 0.18 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1b3u n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1b3u n SER 8 N -2.92 0.00 -2.70 -2.24 3.41 0.68 -0.36 113.62 109.49 1b3u n SER 8 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.53 1b3u n SER 8 Cb 0.10 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1b3u n SER 8 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b3u n LEU 9 N 0.00 -0.70 0.22 1.04 4.77 -1.26 -4.99 117.00 116.08 1b3u n LEU 9 Ca 0.00 -3.39 -0.15 0.00 -0.03 0.00 0.00 56.01 52.44 1b3u n LEU 9 Cb 0.00 0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1b3u n LEU 9 CO 0.00 1.68 0.63 0.22 -1.33 0.00 0.00 177.39 178.59 1b3u h TYR 10 N 2.01 -0.51 -0.69 -1.77 3.20 -1.03 -2.68 116.97 115.51 1b3u h TYR 10 Ca -0.27 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 61.73 1b3u h TYR 10 Cb 1.27 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 1b3u h TYR 10 CO 0.20 -0.23 0.47 -1.00 -1.64 0.00 0.00 178.16 175.95 1b3u h PRO 11 N -0.70 0.31 -0.67 1.82 0.13 -1.94 0.31 132.00 131.25 1b3u h PRO 11 Ca -0.06 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1b3u h PRO 11 Cb 0.50 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1b3u h PRO 11 CO 0.09 0.20 0.33 0.82 -0.23 0.00 0.00 178.00 179.21 1b3u h ILE 12 N 0.32 1.22 -0.30 -3.56 1.08 -1.90 0.11 117.51 114.48 1b3u h ILE 12 Ca 0.33 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1b3u h ILE 12 Cb 0.86 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1b3u h ILE 12 CO -0.09 0.26 0.15 0.00 -0.69 0.00 0.00 178.15 177.79 1b3u h ALA 13 N 1.15 0.37 -0.14 1.87 0.00 -0.10 0.70 119.26 123.11 1b3u h ALA 13 Ca 0.23 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1b3u h ALA 13 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1b3u h ALA 13 CO -0.03 -0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.19 1b3u h VAL 14 N 0.32 0.75 0.28 0.00 2.07 -0.46 0.27 116.25 119.48 1b3u h VAL 14 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1b3u h VAL 14 Cb 0.04 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1b3u h VAL 14 CO -0.08 0.00 -0.33 0.25 0.02 0.00 0.00 177.57 177.43 1b3u h LEU 15 N -0.08 -0.91 -0.99 2.57 5.85 -0.16 -2.23 115.31 119.37 1b3u h LEU 15 Ca 0.08 0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.11 1b3u h LEU 15 Cb 0.20 0.32 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 1b3u h LEU 15 CO -0.19 -0.46 0.57 0.40 -0.34 0.00 0.00 178.44 178.43 1b3u h ILE 16 N -0.66 0.59 1.00 4.05 2.04 0.85 -2.37 117.51 123.01 1b3u h ILE 16 Ca -0.01 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1b3u h ILE 16 Cb 0.62 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1b3u h ILE 16 CO -0.10 0.11 -0.48 0.44 0.00 0.00 0.00 178.15 178.12 1b3u h ASP 17 N 0.62 -1.14 -0.60 1.72 3.32 -0.35 -2.75 116.42 117.24 1b3u h ASP 17 Ca 0.61 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.81 1b3u h ASP 17 Cb 1.09 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.90 1b3u h ASP 17 CO -0.45 -0.81 0.40 1.05 -1.72 0.00 0.00 179.24 177.71 1b3u h GLU 18 N -1.35 0.35 0.00 3.56 4.11 -1.18 0.32 114.58 120.39 1b3u h GLU 18 Ca -0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1b3u h GLU 18 Cb 1.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1b3u h GLU 18 CO 0.23 0.23 0.00 1.28 0.07 0.00 0.00 179.01 180.82 1b3u n LEU 19 N -4.46 0.00 -0.42 3.06 4.77 -0.92 -1.90 117.00 117.13 1b3u n LEU 19 Ca 0.10 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1b3u n LEU 19 Cb 0.41 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 1b3u n LEU 19 CO 0.34 -0.12 0.71 -1.14 -1.33 0.00 0.00 177.39 175.85 1b3u n ARG 20 N -1.38 1.32 -1.12 3.23 0.63 0.11 -4.94 116.66 114.51 1b3u n ARG 20 Ca 0.08 -0.84 -0.29 0.00 -0.92 0.00 0.00 57.85 55.87 1b3u n ARG 20 Cb 0.19 -1.48 0.15 0.00 0.45 0.00 0.00 32.46 31.78 1b3u n ARG 20 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b3u s ASN 21 N -2.26 3.10 -0.07 6.15 3.84 -0.80 -4.99 114.94 119.92 1b3u s ASN 21 Ca 0.30 1.48 0.20 0.00 0.21 0.00 0.00 52.86 55.04 1b3u s ASN 21 Cb 0.20 -2.15 -0.30 0.00 -0.55 0.00 0.00 41.25 38.45 1b3u s ASN 21 CO 0.43 -2.87 0.37 -0.62 -2.79 0.00 0.00 177.10 171.62 1b3u n GLU 22 N -4.03 0.68 -2.61 0.43 4.71 -1.26 -4.84 120.64 113.71 1b3u n GLU 22 Ca 0.07 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.16 56.65 1b3u n GLU 22 Cb 0.55 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.45 1b3u n GLU 22 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1b3u s ASP 23 N -4.64 6.17 0.12 1.62 2.15 -1.26 -4.92 116.67 115.90 1b3u s ASP 23 Ca -0.08 -0.54 -0.32 0.00 0.43 0.00 0.00 52.55 52.03 1b3u s ASP 23 Cb 0.12 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 1b3u s ASP 23 CO 0.85 -1.75 1.57 0.58 -0.17 0.00 0.00 175.17 176.25 1b3u h VAL 24 N 6.02 0.07 0.00 1.11 2.07 -1.99 -0.76 116.25 122.76 1b3u h VAL 24 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1b3u h VAL 24 Cb 1.05 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1b3u h VAL 24 CO 1.26 0.00 0.49 -0.61 0.02 0.00 0.00 177.57 178.72 1b3u h GLN 25 N -0.60 0.00 0.05 1.57 5.75 -2.00 0.34 115.11 120.22 1b3u h GLN 25 Ca 0.04 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.17 1b3u h GLN 25 Cb 0.68 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 1b3u h GLN 25 CO -0.37 0.00 -2.19 -0.11 -2.65 0.00 0.00 178.83 173.51 1b3u n LEU 26 N -2.34 2.29 0.24 -2.39 7.94 -0.35 -3.78 117.00 118.62 1b3u n LEU 26 Ca -0.01 0.08 0.10 0.00 -1.11 0.00 0.00 56.01 55.07 1b3u n LEU 26 Cb 0.51 -0.72 0.63 0.00 0.53 0.00 0.00 43.42 44.36 1b3u n LEU 26 CO 0.06 0.80 0.92 0.03 -1.11 0.00 0.00 177.39 178.09 1b3u h ARG 27 N 0.03 0.00 -0.23 1.96 3.08 0.22 -2.23 114.38 117.22 1b3u h ARG 27 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 1b3u h ARG 27 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 1b3u h ARG 27 CO 0.01 0.17 0.07 1.25 -1.07 0.00 0.00 179.97 180.40 1b3u h LEU 28 N 0.00 0.33 -2.05 3.04 6.46 -1.22 -2.29 115.31 119.59 1b3u h LEU 28 Ca -0.00 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1b3u h LEU 28 Cb 0.40 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1b3u h LEU 28 CO 0.02 0.46 -0.08 0.78 -0.62 0.00 0.00 178.44 179.00 1b3u h ASN 29 N 0.19 0.00 0.30 1.25 2.35 -1.50 -2.35 115.58 115.83 1b3u h ASN 29 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1b3u h ASN 29 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1b3u h ASN 29 CO -0.00 0.08 -0.15 -1.28 -1.65 0.00 0.00 177.43 174.43 1b3u h SER 30 N 0.00 -0.34 -0.71 5.81 0.87 -1.16 -2.66 113.55 115.37 1b3u h SER 30 Ca -0.00 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1b3u h SER 30 Cb 0.17 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 1b3u h SER 30 CO 0.01 -0.07 0.47 0.40 -0.53 0.00 0.00 176.83 177.11 1b3u h ILE 31 N -0.63 0.92 -0.09 2.23 1.08 -1.12 0.15 117.51 120.05 1b3u h ILE 31 Ca -0.04 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1b3u h ILE 31 Cb 0.45 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1b3u h ILE 31 CO 0.07 0.10 -0.19 0.11 -0.69 0.00 0.00 178.15 177.55 1b3u h LYS 32 N 0.57 0.14 -0.01 2.37 1.57 -1.28 -1.52 116.57 118.41 1b3u h LYS 32 Ca 0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1b3u h LYS 32 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1b3u h LYS 32 CO -0.11 0.33 -0.05 1.63 -0.57 0.00 0.00 179.45 180.68 1b3u n LYS 33 N -4.25 1.42 -0.26 3.15 5.02 0.43 -4.41 118.16 119.25 1b3u n LYS 33 Ca -0.01 -0.77 0.24 0.00 -2.02 0.00 0.00 58.31 55.75 1b3u n LYS 33 Cb 0.29 -1.48 0.43 0.00 -0.02 0.00 0.00 35.03 34.24 1b3u n LYS 33 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1b3u n LEU 34 N -0.11 0.19 -0.18 -0.35 7.94 -0.57 0.12 117.00 124.04 1b3u n LEU 34 Ca 0.18 1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 56.07 1b3u n LEU 34 Cb 0.33 -0.51 0.05 0.00 0.53 0.00 0.00 43.42 43.82 1b3u n LEU 34 CO 0.19 -1.15 1.06 0.77 -1.11 0.00 0.00 177.39 177.15 1b3u h SER 35 N 0.00 0.49 -0.81 1.96 4.64 -1.82 -1.96 113.55 116.05 1b3u h SER 35 Ca 0.58 0.01 0.17 0.00 -0.47 0.00 0.00 61.79 62.08 1b3u h SER 35 Cb 1.70 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.60 1b3u h SER 35 CO -0.43 0.34 0.32 0.71 -0.87 0.00 0.00 176.83 176.91 1b3u h THR 36 N 0.61 0.59 -0.25 2.95 1.35 0.57 0.54 112.91 119.28 1b3u h THR 36 Ca 0.22 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1b3u h THR 36 Cb 0.06 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 1b3u h THR 36 CO -0.11 0.08 0.15 0.40 -0.25 0.00 0.00 175.52 175.78 1b3u h ILE 37 N 0.42 1.09 -0.81 6.82 5.03 -1.42 0.04 117.51 128.69 1b3u h ILE 37 Ca 0.46 -0.23 0.03 0.00 -0.12 0.00 0.00 64.86 65.01 1b3u h ILE 37 Cb 0.77 0.79 -0.04 0.00 -3.03 0.00 0.00 36.82 35.31 1b3u h ILE 37 CO -0.46 0.09 0.53 0.00 -0.68 0.00 0.00 178.15 177.64 1b3u h ALA 38 N 1.05 1.50 0.55 1.87 0.00 0.19 0.30 119.26 124.72 1b3u h ALA 38 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b3u h ALA 38 Cb 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1b3u h ALA 38 CO -0.02 0.42 -0.27 -0.07 0.00 0.00 0.00 179.25 179.32 1b3u h LEU 39 N 1.01 -0.63 -1.53 0.00 -0.00 0.48 -2.93 115.31 111.70 1b3u h LEU 39 Ca 0.32 -0.04 0.30 0.00 -0.00 0.00 0.00 57.88 58.46 1b3u h LEU 39 Cb 0.02 0.16 -0.08 0.00 -0.00 0.00 0.00 40.66 40.76 1b3u h LEU 39 CO -0.09 -0.25 0.73 0.00 -0.00 0.00 0.00 178.44 178.83 1b3u h ALA 40 N -0.92 2.50 -2.52 1.53 0.00 -0.78 -3.38 119.26 115.68 1b3u h ALA 40 Ca -0.08 0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 1b3u h ALA 40 Cb 0.63 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1b3u h ALA 40 CO 0.12 -0.90 -0.17 -1.17 0.00 0.00 0.00 179.25 177.13 1b3u s LEU 41 N -9.30 4.14 0.99 0.00 2.96 0.07 -5.00 118.68 112.55 1b3u s LEU 41 Ca -0.08 0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 54.44 1b3u s LEU 41 Cb 0.25 -3.53 0.19 0.00 0.50 0.00 0.00 46.19 43.60 1b3u s LEU 41 CO 0.80 -0.10 1.17 -0.83 -1.32 0.00 0.00 176.35 176.07 1b3u s GLY 42 N -2.74 1.62 0.29 7.98 0.00 -1.26 -4.76 107.32 108.46 1b3u s GLY 42 Ca 0.44 -0.78 0.15 0.00 0.00 0.00 0.00 44.72 44.54 1b3u s GLY 42 CO 0.26 -0.09 1.56 -0.39 0.00 0.00 0.00 173.10 174.43 1b3u h VAL 43 N -1.78 1.07 -0.09 1.40 -1.51 -1.86 0.26 116.25 113.74 1b3u h VAL 43 Ca -0.48 -2.11 -0.21 0.00 -1.23 0.00 0.00 66.70 62.67 1b3u h VAL 43 Cb 1.30 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1b3u h VAL 43 CO 0.50 0.53 -0.81 -0.08 -1.23 0.00 0.00 177.57 176.48 1b3u h GLU 44 N 0.00 0.58 0.00 5.19 4.81 -1.92 -2.76 114.58 120.48 1b3u h GLU 44 Ca -0.01 -0.51 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 1b3u h GLU 44 Cb 1.21 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1b3u h GLU 44 CO 0.07 1.13 -0.84 0.00 -0.73 0.00 0.00 179.01 178.64 1b3u h ARG 45 N 0.38 0.00 -0.53 1.92 3.08 -1.91 -2.74 114.38 114.57 1b3u h ARG 45 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1b3u h ARG 45 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 1b3u h ARG 45 CO 0.15 0.38 0.07 1.15 -1.07 0.00 0.00 179.97 180.65 1b3u h THR 46 N 0.00 1.26 0.44 2.04 2.02 -0.94 0.24 112.91 117.96 1b3u h THR 46 Ca -0.06 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 1b3u h THR 46 Cb 1.42 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1b3u h THR 46 CO 0.05 0.35 -0.21 0.03 0.37 0.00 0.00 175.52 176.11 1b3u h ARG 47 N 0.78 -0.57 0.00 6.66 3.08 -1.54 -1.96 114.38 120.82 1b3u h ARG 47 Ca 0.16 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1b3u h ARG 47 Cb 0.43 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1b3u h ARG 47 CO 0.01 -0.27 -0.48 0.66 -1.07 0.00 0.00 179.97 178.82 1b3u h SER 48 N -0.86 0.00 0.00 7.04 4.64 -1.45 -3.34 113.55 119.58 1b3u h SER 48 Ca -0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1b3u h SER 48 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1b3u h SER 48 CO 0.10 0.48 -1.11 -0.62 -0.87 0.00 0.00 176.83 174.81 1b3u n GLU 49 N -3.62 1.68 -0.02 4.77 -0.58 0.83 -4.71 120.64 119.00 1b3u n GLU 49 Ca -0.00 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1b3u n GLU 49 Cb 0.56 -1.04 -0.13 0.00 -0.57 0.00 0.00 31.44 30.27 1b3u n GLU 49 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1b3u h LEU 50 N 0.00 0.21 0.91 -4.62 5.85 -1.30 -3.29 115.31 113.07 1b3u h LEU 50 Ca -0.04 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.74 1b3u h LEU 50 Cb 1.08 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.05 1b3u h LEU 50 CO -0.00 1.08 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.65 1b3u h LEU 51 N -0.63 -1.10 -1.18 2.25 3.38 -1.49 -1.32 115.31 115.23 1b3u h LEU 51 Ca -0.05 0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.28 1b3u h LEU 51 Cb 1.16 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 42.08 1b3u h LEU 51 CO 0.06 -0.76 0.65 -0.65 0.09 0.00 0.00 178.44 177.83 1b3u h PRO 52 N -1.24 0.34 -0.13 1.13 0.11 -1.76 0.36 132.00 130.81 1b3u h PRO 52 Ca -0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1b3u h PRO 52 Cb 0.96 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1b3u h PRO 52 CO 0.19 0.23 0.06 0.35 -0.21 0.00 0.00 178.00 178.62 1b3u h PHE 53 N 0.35 0.19 0.00 0.65 3.57 -1.54 -2.52 116.94 117.65 1b3u h PHE 53 Ca 0.69 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.18 1b3u h PHE 53 Cb 1.70 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1b3u h PHE 53 CO -0.01 0.25 0.00 1.28 -2.23 0.00 0.00 178.31 177.61 1b3u n LEU 54 N -4.91 0.66 0.06 0.59 4.77 0.10 -2.11 117.00 116.17 1b3u n LEU 54 Ca -0.05 0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1b3u n LEU 54 Cb 0.10 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.51 1b3u n LEU 54 CO 0.34 -0.51 -0.13 0.74 -1.33 0.00 0.00 177.39 176.50 1b3u h THR 55 N 0.00 1.39 0.00 -5.08 2.02 -0.49 -3.42 112.91 107.32 1b3u h THR 55 Ca 0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1b3u h THR 55 Cb 0.40 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1b3u h THR 55 CO 0.00 0.85 -0.60 -0.90 0.37 0.00 0.00 175.52 175.24 1b3u n ASP 56 N -3.40 2.92 -0.05 4.18 5.68 -1.12 -4.87 116.55 119.90 1b3u n ASP 56 Ca -0.09 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.06 1b3u n ASP 56 Cb 1.01 0.25 -0.08 0.00 -1.14 0.00 0.00 41.12 41.16 1b3u n ASP 56 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1b3u h THR 57 N 0.00 1.37 -2.37 2.12 2.02 -1.64 -3.46 112.91 110.95 1b3u h THR 57 Ca 0.00 -1.56 -0.61 0.00 0.77 0.00 0.00 66.41 65.00 1b3u h THR 57 Cb 0.60 2.05 0.09 0.00 -1.74 0.00 0.00 68.15 69.16 1b3u h THR 57 CO 0.00 0.46 0.30 -0.38 0.37 0.00 0.00 175.52 176.27 1b3u n ILE 58 N -4.42 1.39 0.00 3.11 5.41 -1.24 -4.90 119.36 118.70 1b3u n ILE 58 Ca -0.07 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1b3u n ILE 58 Cb 0.47 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 1b3u n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b3u n TYR 59 N 1.03 0.00 0.00 1.39 0.18 -1.26 -5.06 117.16 113.44 1b3u n TYR 59 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 1b3u n TYR 59 Cb 0.29 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 1b3u n TYR 59 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1b3u n ASP 60 N -1.03 0.00 -4.74 9.48 -0.08 -1.26 -4.94 116.55 113.98 1b3u n ASP 60 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1b3u n ASP 60 Cb 0.17 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.76 1b3u n ASP 60 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1b3u s GLU 61 N 0.00 1.37 0.35 -0.67 0.41 -1.26 -4.88 118.70 114.02 1b3u s GLU 61 Ca 0.00 0.67 0.06 0.00 -0.41 0.00 0.00 54.97 55.29 1b3u s GLU 61 Cb 0.00 -1.83 0.67 0.00 -1.78 0.00 0.00 34.13 31.18 1b3u s GLU 61 CO 0.00 -2.13 1.88 -0.44 -0.49 0.00 0.00 175.26 174.09 1b3u h ASP 62 N -1.46 0.39 0.23 -0.19 3.32 -2.00 -2.73 116.42 113.98 1b3u h ASP 62 Ca -0.50 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.43 1b3u h ASP 62 Cb 1.29 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1b3u h ASP 62 CO 0.57 0.50 -0.24 -0.08 -1.72 0.00 0.00 179.24 178.27 1b3u h GLU 63 N 0.39 0.02 0.01 3.56 4.81 -2.00 -1.95 114.58 119.42 1b3u h GLU 63 Ca 0.08 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1b3u h GLU 63 Cb 0.36 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1b3u h GLU 63 CO 0.02 0.25 -0.00 0.28 -0.73 0.00 0.00 179.01 178.83 1b3u h VAL 64 N 0.02 1.57 -0.99 0.32 2.07 -1.87 -2.98 116.25 114.38 1b3u h VAL 64 Ca 0.00 -1.81 0.17 0.00 0.82 0.00 0.00 66.70 65.88 1b3u h VAL 64 Cb 0.43 2.78 -0.10 0.00 -1.52 0.00 0.00 31.29 32.88 1b3u h VAL 64 CO 0.03 0.46 0.60 -0.07 0.02 0.00 0.00 177.57 178.61 1b3u h LEU 65 N -0.80 0.79 -0.49 2.57 3.38 -1.35 0.26 115.31 119.66 1b3u h LEU 65 Ca -0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1b3u h LEU 65 Cb 0.77 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1b3u h LEU 65 CO 0.00 0.31 0.30 0.25 0.09 0.00 0.00 178.44 179.40 1b3u h LEU 66 N 0.79 0.50 -1.13 1.67 5.85 -1.39 0.48 115.31 122.07 1b3u h LEU 66 Ca 0.55 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.19 1b3u h LEU 66 Cb 0.80 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1b3u h LEU 66 CO -0.36 0.36 -0.27 0.00 -0.34 0.00 0.00 178.44 177.82 1b3u h ALA 67 N 1.21 1.28 -0.14 1.25 0.00 -0.51 -1.51 119.26 120.83 1b3u h ALA 67 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1b3u h ALA 67 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1b3u h ALA 67 CO -0.08 0.49 -0.28 1.25 0.00 0.00 0.00 179.25 180.63 1b3u h LEU 68 N 0.24 0.49 -0.81 0.00 5.85 0.50 -1.34 115.31 120.24 1b3u h LEU 68 Ca 0.04 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1b3u h LEU 68 Cb 0.61 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1b3u h LEU 68 CO 0.04 0.96 0.50 0.00 -0.34 0.00 0.00 178.44 179.60 1b3u h ALA 69 N 0.55 1.09 -0.58 1.25 0.00 0.15 -1.00 119.26 120.72 1b3u h ALA 69 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1b3u h ALA 69 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b3u h ALA 69 CO 0.06 0.25 0.05 1.49 0.00 0.00 0.00 179.25 181.10 1b3u h GLU 70 N 0.93 0.99 0.09 0.00 4.81 -1.23 -3.20 114.58 116.97 1b3u h GLU 70 Ca 0.34 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1b3u h GLU 70 Cb 0.12 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1b3u h GLU 70 CO -0.16 0.97 -0.05 0.37 -0.73 0.00 0.00 179.01 179.41 1b3u h GLN 71 N 0.89 -0.12 0.00 1.92 5.75 -0.13 -2.59 115.11 120.83 1b3u h GLN 71 Ca 0.17 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1b3u h GLN 71 Cb 0.49 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1b3u h GLN 71 CO 0.02 -0.08 0.05 -0.07 -2.65 0.00 0.00 178.83 176.10 1b3u h LEU 72 N -0.13 0.00 0.00 -2.39 3.38 -1.23 0.45 115.31 115.40 1b3u h LEU 72 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b3u h LEU 72 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1b3u h LEU 72 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1b3u n GLY 73 N -1.17 -1.27 2.40 0.83 0.00 -0.98 -3.40 105.19 101.60 1b3u n GLY 73 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1b3u n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b3u n THR 74 N -1.38 1.95 0.05 2.61 -2.24 0.15 -4.77 114.28 110.65 1b3u n THR 74 Ca 0.10 -3.64 0.01 0.00 -2.27 0.00 0.00 64.05 58.25 1b3u n THR 74 Cb 0.25 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1b3u n THR 74 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1b3u n PHE 75 N -0.65 0.02 0.02 4.78 3.01 -1.22 -4.79 117.46 118.63 1b3u n PHE 75 Ca 0.27 -0.15 -0.13 0.00 1.01 0.00 0.00 57.45 58.46 1b3u n PHE 75 Cb 0.89 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 40.28 1b3u n PHE 75 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1b3u h THR 76 N 0.39 0.15 -0.08 4.37 2.02 -1.86 -2.02 112.91 115.88 1b3u h THR 76 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1b3u h THR 76 Cb 0.22 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1b3u h THR 76 CO 0.00 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.94 1b3u h THR 77 N -0.52 1.05 0.00 3.16 1.03 -1.88 -0.74 112.91 115.00 1b3u h THR 77 Ca 0.06 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 1b3u h THR 77 Cb 0.64 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 1b3u h THR 77 CO -0.37 0.05 0.00 -0.11 -0.01 0.00 0.00 175.52 175.08 1b3u n LEU 78 N -5.01 0.00 0.00 0.00 7.94 -0.92 -1.14 117.00 117.87 1b3u n LEU 78 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1b3u n LEU 78 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1b3u n LEU 78 CO 0.33 0.00 0.31 0.55 -1.11 0.00 0.00 177.39 177.48 1b3u n VAL 79 N -0.92 0.39 0.00 1.96 3.14 -0.81 -4.77 118.33 117.32 1b3u n VAL 79 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1b3u n VAL 79 Cb 0.00 0.95 0.00 0.00 -1.06 0.00 0.00 33.84 33.73 1b3u n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b3u n GLY 80 N -0.19 1.03 2.77 7.55 0.00 -0.29 -4.78 105.19 111.28 1b3u n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b3u n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3u n GLY 81 N -0.07 -2.32 0.43 -0.02 0.00 -0.33 -4.36 105.19 98.52 1b3u n GLY 81 Ca 0.00 -1.56 0.38 0.00 0.00 0.00 0.00 46.02 44.84 1b3u n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b3u n PRO 82 N -0.49 -0.04 0.25 1.61 -0.02 -1.26 -0.60 135.00 134.45 1b3u n PRO 82 Ca 0.00 1.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.90 1b3u n PRO 82 Cb 0.00 -2.48 0.79 0.00 -0.02 0.00 0.00 33.50 31.79 1b3u n PRO 82 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1b3u h GLU 83 N 0.00 0.00 0.00 -0.52 5.08 -1.90 -3.08 114.58 114.16 1b3u h GLU 83 Ca 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.23 1b3u h GLU 83 Cb 2.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.93 1b3u h GLU 83 CO -0.55 0.00 -0.04 0.66 -1.00 0.00 0.00 179.01 178.08 1b3u n TYR 84 N -4.11 0.00 -0.26 4.33 4.02 0.23 -4.83 117.16 116.53 1b3u n TYR 84 Ca -0.01 -0.60 0.07 0.00 -0.01 0.00 0.00 57.90 57.34 1b3u n TYR 84 Cb 0.16 -0.08 0.20 0.00 -0.02 0.00 0.00 39.34 39.60 1b3u n TYR 84 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1b3u h VAL 85 N 0.82 0.58 0.00 -0.72 -1.51 -1.44 -1.08 116.25 112.91 1b3u h VAL 85 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1b3u h VAL 85 Cb 0.81 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1b3u h VAL 85 CO 0.00 0.07 0.34 1.12 -1.23 0.00 0.00 177.57 177.87 1b3u h HIS 86 N 0.38 0.00 0.00 5.19 2.07 -1.88 0.14 115.15 121.06 1b3u h HIS 86 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 1b3u h HIS 86 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 1b3u h HIS 86 CO -0.19 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.67 1b3u n LEU 88 N -1.94 0.78 -0.16 0.00 4.77 0.50 -4.39 117.00 116.57 1b3u n LEU 88 Ca 0.00 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1b3u n LEU 88 Cb 0.08 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1b3u n LEU 88 CO 0.10 -0.14 0.90 -0.07 -1.33 0.00 0.00 177.39 176.85 1b3u h LEU 89 N 0.00 -0.02 0.07 2.23 3.38 -1.35 -2.63 115.31 116.99 1b3u h LEU 89 Ca -0.02 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1b3u h LEU 89 Cb 1.06 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1b3u h LEU 89 CO 0.00 0.02 -0.41 -0.65 0.09 0.00 0.00 178.44 177.49 1b3u h PRO 90 N 0.23 -0.58 -0.41 1.13 0.11 -1.77 0.58 132.00 131.28 1b3u h PRO 90 Ca 0.26 0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.36 1b3u h PRO 90 Cb 0.35 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1b3u h PRO 90 CO -0.34 -0.39 0.08 -1.00 -0.21 0.00 0.00 178.00 176.14 1b3u h PRO 91 N -0.61 0.62 -0.25 1.05 0.13 -1.82 -1.47 132.00 129.67 1b3u h PRO 91 Ca 0.03 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.90 1b3u h PRO 91 Cb 0.66 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1b3u h PRO 91 CO -0.27 0.59 -0.44 -0.07 -0.23 0.00 0.00 178.00 177.58 1b3u h LEU 92 N 0.61 0.66 -0.85 1.56 3.38 -1.07 -2.33 115.31 117.28 1b3u h LEU 92 Ca 0.14 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1b3u h LEU 92 Cb 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1b3u h LEU 92 CO 0.00 1.01 0.51 -0.08 0.09 0.00 0.00 178.44 179.97 1b3u h GLU 93 N 0.50 1.15 -0.71 1.13 4.81 0.65 -1.35 114.58 120.76 1b3u h GLU 93 Ca 0.03 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1b3u h GLU 93 Cb 0.96 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1b3u h GLU 93 CO 0.09 0.81 0.36 1.03 -0.73 0.00 0.00 179.01 180.57 1b3u h SER 94 N 1.16 0.90 1.08 1.04 0.87 -1.01 -2.61 113.55 114.99 1b3u h SER 94 Ca 0.30 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1b3u h SER 94 Cb -0.04 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1b3u h SER 94 CO -0.06 0.76 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.78 1b3u h LEU 95 N 0.98 0.00 -0.43 2.23 3.38 -0.86 -2.78 115.31 117.83 1b3u h LEU 95 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1b3u h LEU 95 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1b3u h LEU 95 CO -0.04 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1b3u n ALA 96 N -2.17 2.57 0.19 1.53 0.00 -0.56 -3.35 120.51 118.72 1b3u n ALA 96 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.20 1b3u n ALA 96 Cb 0.42 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1b3u n ALA 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b3u n THR 97 N -0.35 0.00 -0.84 0.00 -1.04 -1.05 -4.57 114.28 106.43 1b3u n THR 97 Ca 0.14 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.05 61.37 1b3u n THR 97 Cb 0.16 1.07 0.17 0.00 -1.82 0.00 0.00 70.33 69.92 1b3u n THR 97 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1b3u s VAL 98 N -0.60 2.35 0.16 12.58 1.01 -1.21 -4.86 120.40 129.83 1b3u s VAL 98 Ca 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1b3u s VAL 98 Cb 0.04 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 1b3u s VAL 98 CO 0.08 -0.15 1.41 -0.33 0.00 0.00 0.00 175.10 176.11 1b3u h GLU 99 N -1.87 0.54 -6.27 2.72 5.08 -1.96 -3.43 114.58 109.39 1b3u h GLU 99 Ca -0.48 -0.42 -0.55 0.00 -1.00 0.00 0.00 59.36 56.90 1b3u h GLU 99 Cb 1.28 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 1b3u h GLU 99 CO 0.47 1.05 1.21 -2.00 -1.00 0.00 0.00 179.01 178.75 1b3u s GLU 100 N -3.72 3.18 0.37 2.33 2.56 -1.26 -4.86 118.70 117.29 1b3u s GLU 100 Ca -0.07 0.87 0.15 0.00 0.00 0.00 0.00 54.97 55.92 1b3u s GLU 100 Cb 0.10 -4.20 1.04 0.00 2.00 0.00 0.00 34.13 33.07 1b3u s GLU 100 CO 0.86 -2.06 1.74 1.79 -0.56 0.00 0.00 175.26 177.03 1b3u h THR 101 N 6.65 0.49 -0.50 -1.70 1.35 -2.00 0.15 112.91 117.36 1b3u h THR 101 Ca -0.29 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1b3u h THR 101 Cb 1.14 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 1b3u h THR 101 CO 1.13 0.08 0.27 0.58 -0.25 0.00 0.00 175.52 177.33 1b3u h VAL 102 N 0.45 1.15 -0.08 6.82 2.07 -1.97 -0.82 116.25 123.88 1b3u h VAL 102 Ca 0.64 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.63 1b3u h VAL 102 Cb 1.47 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1b3u h VAL 102 CO -0.39 0.17 -0.51 0.58 0.02 0.00 0.00 177.57 177.44 1b3u h VAL 103 N 0.69 1.38 -0.98 2.57 2.07 -1.07 -3.00 116.25 117.91 1b3u h VAL 103 Ca 0.18 -1.87 0.12 0.00 0.82 0.00 0.00 66.70 65.95 1b3u h VAL 103 Cb 0.02 2.29 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 1b3u h VAL 103 CO -0.03 0.56 0.62 0.03 0.02 0.00 0.00 177.57 178.77 1b3u h ARG 104 N 0.04 0.92 -0.53 1.57 3.08 -0.91 -1.81 114.38 116.74 1b3u h ARG 104 Ca -0.04 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1b3u h ARG 104 Cb 1.17 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1b3u h ARG 104 CO 0.10 0.61 0.00 -0.44 -1.07 0.00 0.00 179.97 179.18 1b3u h ASP 105 N 0.95 0.88 -0.39 7.04 3.32 -1.13 -1.74 116.42 125.34 1b3u h ASP 105 Ca 0.48 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1b3u h ASP 105 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1b3u h ASP 105 CO -0.24 0.94 -0.11 0.11 -1.72 0.00 0.00 179.24 178.21 1b3u h LYS 106 N 0.84 0.77 -0.70 3.56 1.79 -1.21 -0.22 116.57 121.40 1b3u h LYS 106 Ca 0.16 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1b3u h LYS 106 Cb 0.49 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1b3u h LYS 106 CO 0.02 0.92 0.44 0.00 -1.08 0.00 0.00 179.45 179.75 1b3u h ALA 107 N 0.83 0.91 -0.66 3.86 0.00 -1.26 0.17 119.26 123.12 1b3u h ALA 107 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1b3u h ALA 107 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1b3u h ALA 107 CO 0.04 0.23 0.31 0.28 0.00 0.00 0.00 179.25 180.12 1b3u h VAL 108 N 0.88 1.22 -0.74 0.00 2.07 -1.11 0.28 116.25 118.85 1b3u h VAL 108 Ca 0.28 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1b3u h VAL 108 Cb -0.00 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1b3u h VAL 108 CO -0.10 0.26 0.35 -0.08 0.02 0.00 0.00 177.57 178.02 1b3u h GLU 109 N 0.91 1.07 -0.35 1.57 4.81 -0.09 -0.34 114.58 122.16 1b3u h GLU 109 Ca 0.22 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 1b3u h GLU 109 Cb 0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1b3u h GLU 109 CO -0.03 0.85 -0.35 0.77 -0.73 0.00 0.00 179.01 179.52 1b3u h SER 110 N 1.04 0.85 -0.73 1.04 0.02 -0.12 -1.78 113.55 113.87 1b3u h SER 110 Ca 0.25 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1b3u h SER 110 Cb 0.13 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1b3u h SER 110 CO -0.03 1.11 0.30 -0.07 -1.14 0.00 0.00 176.83 177.00 1b3u h LEU 111 N 0.67 1.02 -0.76 5.07 3.38 -0.06 -1.70 115.31 122.93 1b3u h LEU 111 Ca 0.07 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1b3u h LEU 111 Cb 0.90 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1b3u h LEU 111 CO 0.08 0.90 -0.13 0.03 0.09 0.00 0.00 178.44 179.41 1b3u h ARG 112 N 1.08 0.81 0.47 1.13 3.08 -0.84 -2.27 114.38 117.84 1b3u h ARG 112 Ca 0.25 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1b3u h ARG 112 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1b3u h ARG 112 CO -0.02 0.90 -0.23 0.00 -1.07 0.00 0.00 179.97 179.55 1b3u h ALA 113 N 1.13 -0.63 0.00 0.04 0.00 -0.69 -3.14 119.26 115.97 1b3u h ALA 113 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b3u h ALA 113 Cb 0.62 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1b3u h ALA 113 CO 0.04 -0.80 0.00 -0.84 0.00 0.00 0.00 179.25 177.65 1b3u h ILE 114 N -0.74 0.00 -0.83 0.00 3.07 -1.37 -3.12 117.51 114.52 1b3u h ILE 114 Ca -0.06 -0.42 0.08 0.00 1.55 0.00 0.00 64.86 66.01 1b3u h ILE 114 Cb 0.54 1.30 -0.06 0.00 -0.27 0.00 0.00 36.82 38.33 1b3u h ILE 114 CO 0.11 0.00 0.54 0.77 -1.05 0.00 0.00 178.15 178.51 1b3u h SER 115 N 0.00 0.75 0.42 2.16 4.64 -1.35 0.42 113.55 120.59 1b3u h SER 115 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1b3u h SER 115 Cb 0.55 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1b3u h SER 115 CO 0.00 0.46 0.00 1.41 -0.87 0.00 0.00 176.83 177.83 1b3u n HIS 116 N -4.50 0.72 0.74 4.77 8.25 -1.18 -1.31 115.22 122.71 1b3u n HIS 116 Ca 0.13 0.32 0.12 0.00 -0.26 0.00 0.00 57.72 58.03 1b3u n HIS 116 Cb 0.27 -1.01 0.22 0.00 1.12 0.00 0.00 29.99 30.59 1b3u n HIS 116 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1b3u n GLU 117 N -2.19 0.18 -2.94 -0.41 -0.58 0.15 -4.86 120.64 109.99 1b3u n GLU 117 Ca 0.01 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.40 1b3u n GLU 117 Cb 0.15 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.35 1b3u n GLU 117 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1b3u s HIS 118 N -3.10 3.78 0.56 -0.32 3.76 -0.43 -4.73 115.29 114.80 1b3u s HIS 118 Ca 0.08 1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 56.36 1b3u s HIS 118 Cb 0.15 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 1b3u s HIS 118 CO 0.70 0.31 1.10 -1.54 -0.85 0.00 0.00 174.74 174.46 1b3u s SER 119 N -0.24 5.73 0.54 1.40 1.04 -1.26 -4.76 113.70 116.14 1b3u s SER 119 Ca 0.39 2.07 0.35 0.00 0.48 0.00 0.00 55.95 59.24 1b3u s SER 119 Cb -0.21 -2.57 1.52 0.00 0.10 0.00 0.00 66.02 64.86 1b3u s SER 119 CO 0.25 -1.21 1.83 1.55 0.98 0.00 0.00 173.24 176.63 1b3u h PRO 120 N 0.99 0.01 -0.48 4.02 0.13 -1.96 0.50 132.00 135.21 1b3u h PRO 120 Ca -0.49 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 1b3u h PRO 120 Cb 1.25 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1b3u h PRO 120 CO 0.57 0.01 -0.22 1.03 -0.23 0.00 0.00 178.00 179.16 1b3u h SER 121 N 0.01 1.01 1.42 1.44 0.87 -1.91 -2.89 113.55 113.51 1b3u h SER 121 Ca 0.52 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1b3u h SER 121 Cb 2.08 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1b3u h SER 121 CO -0.01 1.19 -0.04 0.44 -0.53 0.00 0.00 176.83 177.87 1b3u h ASP 122 N 0.84 0.00 -0.06 6.23 3.32 -0.39 -2.20 116.42 124.16 1b3u h ASP 122 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1b3u h ASP 122 Cb 0.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1b3u h ASP 122 CO 0.07 0.04 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.56 1b3u h LEU 123 N 0.00 0.10 -0.61 1.55 3.38 -1.05 0.29 115.31 118.98 1b3u h LEU 123 Ca -0.00 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 1b3u h LEU 123 Cb 0.76 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1b3u h LEU 123 CO 0.01 0.39 -0.11 -0.33 0.09 0.00 0.00 178.44 178.48 1b3u h GLU 124 N -0.19 0.98 0.00 1.13 5.08 -1.48 0.32 114.58 120.42 1b3u h GLU 124 Ca 0.02 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1b3u h GLU 124 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1b3u h GLU 124 CO 0.00 1.03 -0.57 0.00 -1.00 0.00 0.00 179.01 178.47 1b3u h ALA 125 N 0.99 0.64 0.00 3.43 0.00 -1.35 -3.41 119.26 119.56 1b3u h ALA 125 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1b3u h ALA 125 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1b3u h ALA 125 CO 0.05 0.71 -0.46 0.72 0.00 0.00 0.00 179.25 180.27 1b3u n HIS 126 N -3.26 0.00 -0.08 0.00 8.25 0.10 -4.79 115.22 115.45 1b3u n HIS 126 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1b3u n HIS 126 Cb 0.75 0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.98 1b3u n HIS 126 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1b3u h PHE 127 N 0.00 0.44 -0.46 4.41 3.57 -0.71 -2.93 116.94 121.25 1b3u h PHE 127 Ca 0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1b3u h PHE 127 Cb 0.46 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1b3u h PHE 127 CO 0.00 0.56 0.24 0.28 -2.23 0.00 0.00 178.31 177.15 1b3u h VAL 128 N 0.19 1.18 -0.91 1.41 2.07 -0.69 -1.91 116.25 117.58 1b3u h VAL 128 Ca 0.07 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.24 1b3u h VAL 128 Cb 0.37 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1b3u h VAL 128 CO 0.01 0.19 0.58 -0.65 0.02 0.00 0.00 177.57 177.72 1b3u h PRO 129 N 0.60 0.76 -0.14 1.57 0.11 -1.77 0.20 132.00 133.33 1b3u h PRO 129 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1b3u h PRO 129 Cb 0.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1b3u h PRO 129 CO -0.02 0.50 0.04 1.25 -0.21 0.00 0.00 178.00 179.55 1b3u h LEU 130 N 0.78 0.21 -0.94 2.35 5.85 -1.24 -0.62 115.31 121.70 1b3u h LEU 130 Ca 0.45 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1b3u h LEU 130 Cb 0.62 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1b3u h LEU 130 CO -0.21 0.38 0.61 0.58 -0.34 0.00 0.00 178.44 179.45 1b3u h VAL 131 N 0.03 1.25 -0.39 1.05 2.07 -0.48 -0.88 116.25 118.89 1b3u h VAL 131 Ca 0.04 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1b3u h VAL 131 Cb 0.25 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1b3u h VAL 131 CO 0.00 0.24 0.12 0.11 0.02 0.00 0.00 177.57 178.06 1b3u h LYS 132 N 1.28 0.61 -0.10 1.57 1.57 -0.43 -0.91 116.57 120.15 1b3u h LYS 132 Ca 0.34 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1b3u h LYS 132 Cb -0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1b3u h LYS 132 CO -0.07 0.62 0.04 0.00 -0.57 0.00 0.00 179.45 179.46 1b3u h ARG 133 N 0.49 0.08 -0.42 3.15 3.08 -0.58 -1.65 114.38 118.53 1b3u h ARG 133 Ca 0.13 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1b3u h ARG 133 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1b3u h ARG 133 CO -0.00 0.06 0.22 -0.07 -1.07 0.00 0.00 179.97 179.11 1b3u h LEU 134 N 0.09 0.52 -2.24 3.04 3.38 -1.07 -1.43 115.31 117.59 1b3u h LEU 134 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1b3u h LEU 134 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1b3u h LEU 134 CO -0.04 0.47 -0.00 0.00 0.09 0.00 0.00 178.44 178.95 1b3u h ALA 135 N 1.08 1.74 -0.53 1.53 0.00 -0.96 -2.02 119.26 120.10 1b3u h ALA 135 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b3u h ALA 135 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1b3u h ALA 135 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1b3u n GLY 136 N -1.41 2.18 3.63 0.00 0.00 -0.64 -4.77 105.19 104.19 1b3u n GLY 136 Ca -0.03 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1b3u n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3u n GLY 137 N 1.36 -0.42 0.12 -0.02 0.00 -0.59 -4.93 105.19 100.70 1b3u n GLY 137 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1b3u n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b3u h ASP 138 N -0.77 0.35 -3.43 1.61 3.32 -1.90 -3.44 116.42 112.17 1b3u h ASP 138 Ca -0.46 -0.31 -0.59 0.00 0.02 0.00 0.00 57.03 55.68 1b3u h ASP 138 Cb 1.31 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1b3u h ASP 138 CO 0.45 1.16 0.08 0.86 -1.72 0.00 0.00 179.24 180.06 1b3u s TRP 139 N -3.03 3.38 0.50 4.55 -0.11 -1.26 -4.96 118.94 118.01 1b3u s TRP 139 Ca -0.04 0.90 0.27 0.00 1.22 0.00 0.00 56.10 58.45 1b3u s TRP 139 Cb 0.09 -2.77 1.36 0.00 -1.50 0.00 0.00 33.47 30.65 1b3u s TRP 139 CO 0.85 -0.15 1.88 0.27 -4.62 0.00 0.00 176.95 175.19 1b3u h PHE 140 N 7.45 0.17 0.00 5.86 -5.15 -1.98 -0.18 116.94 123.11 1b3u h PHE 140 Ca -0.32 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.45 1b3u h PHE 140 Cb 1.15 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 37.27 1b3u h PHE 140 CO 0.71 0.04 -0.00 1.79 -2.00 0.00 0.00 178.31 178.84 1b3u h THR 141 N 0.12 0.91 -0.18 0.88 1.35 -1.93 -0.80 112.91 113.26 1b3u h THR 141 Ca 0.43 -0.01 -0.22 0.00 -0.55 0.00 0.00 66.41 66.07 1b3u h THR 141 Cb 1.52 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1b3u h THR 141 CO -0.06 0.00 -0.73 0.28 -0.25 0.00 0.00 175.52 174.76 1b3u h SER 142 N 0.00 0.95 0.21 5.36 0.02 -1.27 -2.57 113.55 116.26 1b3u h SER 142 Ca -0.00 -0.60 -0.15 0.00 -0.84 0.00 0.00 61.79 60.20 1b3u h SER 142 Cb 0.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1b3u h SER 142 CO 0.00 1.40 -0.58 0.03 -1.14 0.00 0.00 176.83 176.54 1b3u h ARG 143 N 0.57 0.38 -0.47 3.45 3.08 -1.18 -2.34 114.38 117.86 1b3u h ARG 143 Ca -0.04 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 1b3u h ARG 143 Cb 1.35 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 1b3u h ARG 143 CO 0.15 0.85 -0.12 1.79 -1.07 0.00 0.00 179.97 181.57 1b3u h THR 144 N 0.28 1.26 -0.33 2.04 1.35 -1.17 -2.91 112.91 113.43 1b3u h THR 144 Ca -0.00 -1.22 -0.10 0.00 -0.55 0.00 0.00 66.41 64.54 1b3u h THR 144 Cb 1.09 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1b3u h THR 144 CO 0.10 0.42 -0.20 0.28 -0.25 0.00 0.00 175.52 175.87 1b3u h SER 145 N 0.78 0.62 -1.00 5.36 0.02 -1.30 -3.05 113.55 114.98 1b3u h SER 145 Ca 0.13 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1b3u h SER 145 Cb 0.63 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1b3u h SER 145 CO 0.04 0.82 0.65 0.00 -1.14 0.00 0.00 176.83 177.20 1b3u h ALA 146 N 1.24 1.33 -1.13 3.77 0.00 -1.22 -2.75 119.26 120.49 1b3u h ALA 146 Ca 0.09 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.27 1b3u h ALA 146 Cb 0.64 -0.35 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1b3u h ALA 146 CO 0.05 0.54 0.74 0.00 0.00 0.00 0.00 179.25 180.57 1b3u n GLY 148 N -1.53 -0.42 0.08 0.00 0.00 -1.04 -3.90 105.19 98.39 1b3u n GLY 148 Ca 0.28 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1b3u n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b3u n LEU 149 N -0.31 1.09 -0.03 0.99 4.77 0.57 -4.62 117.00 119.46 1b3u n LEU 149 Ca 0.19 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 1b3u n LEU 149 Cb 0.22 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1b3u n LEU 149 CO 0.15 0.25 0.75 -0.26 -1.33 0.00 0.00 177.39 176.95 1b3u h PHE 150 N 0.39 0.20 -0.32 -1.77 -1.00 -1.68 -3.31 116.94 109.45 1b3u h PHE 150 Ca 0.00 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1b3u h PHE 150 Cb 0.50 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1b3u h PHE 150 CO 0.00 0.41 0.17 0.66 -1.61 0.00 0.00 178.31 177.94 1b3u h SER 151 N -0.07 0.39 0.80 2.17 4.64 -1.85 -2.29 113.55 117.34 1b3u h SER 151 Ca 0.03 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1b3u h SER 151 Cb 0.33 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1b3u h SER 151 CO 0.00 0.32 -0.64 -0.37 -0.87 0.00 0.00 176.83 175.27 1b3u h VAL 152 N 0.45 1.35 0.00 0.95 -1.51 -1.87 -3.34 116.25 112.28 1b3u h VAL 152 Ca 0.12 -2.29 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 1b3u h VAL 152 Cb 0.03 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1b3u h VAL 152 CO -0.02 0.63 -1.16 0.00 -1.23 0.00 0.00 177.57 175.79 1b3u h TYR 154 N 0.00 -0.03 -0.50 0.00 3.20 -1.54 -3.31 116.97 114.79 1b3u h TYR 154 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1b3u h TYR 154 Cb 0.57 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.75 1b3u h TYR 154 CO 0.00 0.06 -0.14 -1.35 -1.64 0.00 0.00 178.16 175.10 1b3u h PRO 155 N -0.13 -0.01 -0.00 1.82 0.11 -1.81 -3.10 132.00 128.88 1b3u h PRO 155 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1b3u h PRO 155 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1b3u h PRO 155 CO 0.01 -0.01 -0.06 0.54 -0.21 0.00 0.00 178.00 178.27 1b3u n ARG 156 N -5.37 0.75 -3.20 1.05 3.00 -1.25 -4.93 116.66 106.71 1b3u n ARG 156 Ca 0.05 -0.19 -0.22 0.00 -0.01 0.00 0.00 57.85 57.48 1b3u n ARG 156 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1b3u n ARG 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1b3u s VAL 157 N -2.38 4.11 0.93 1.55 -7.23 -1.17 -4.76 120.40 111.45 1b3u s VAL 157 Ca 0.33 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.71 1b3u s VAL 157 Cb 0.21 -3.48 0.10 0.00 0.56 0.00 0.00 36.38 33.76 1b3u s VAL 157 CO 0.44 -0.28 0.83 -1.54 -0.31 0.00 0.00 175.10 174.24 1b3u n SER 158 N -1.90 -0.68 -0.28 4.85 3.41 -1.26 -4.69 113.62 113.07 1b3u n SER 158 Ca 0.00 0.39 -0.02 0.00 -0.26 0.00 0.00 58.87 58.98 1b3u n SER 158 Cb 0.58 -1.36 0.16 0.00 -0.26 0.00 0.00 64.21 63.32 1b3u n SER 158 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1b3u h SER 159 N -1.71 1.00 -0.60 4.04 0.87 -1.97 -0.26 113.55 114.93 1b3u h SER 159 Ca -0.43 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 1b3u h SER 159 Cb 1.28 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1b3u h SER 159 CO 0.38 0.79 0.13 0.00 -0.53 0.00 0.00 176.83 177.60 1b3u h ALA 160 N 1.38 1.05 -0.08 6.23 0.00 -2.00 -2.34 119.26 123.50 1b3u h ALA 160 Ca 0.29 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1b3u h ALA 160 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1b3u h ALA 160 CO -0.05 0.62 -0.75 0.28 0.00 0.00 0.00 179.25 179.35 1b3u h VAL 161 N 0.95 1.37 -0.73 0.00 2.07 -1.76 -2.92 116.25 115.23 1b3u h VAL 161 Ca 0.20 -2.16 0.04 0.00 0.82 0.00 0.00 66.70 65.60 1b3u h VAL 161 Cb 0.37 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1b3u h VAL 161 CO 0.00 0.65 0.45 0.11 0.02 0.00 0.00 177.57 178.81 1b3u h LYS 162 N 0.29 0.84 -0.59 1.57 1.57 -0.82 -0.20 116.57 119.23 1b3u h LYS 162 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1b3u h LYS 162 Cb 1.34 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1b3u h LYS 162 CO 0.13 0.56 0.32 0.00 -0.57 0.00 0.00 179.45 179.89 1b3u h ALA 163 N 1.32 1.45 -0.42 3.86 0.00 -1.35 -0.68 119.26 123.44 1b3u h ALA 163 Ca 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1b3u h ALA 163 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1b3u h ALA 163 CO -0.13 0.46 -0.01 0.93 0.00 0.00 0.00 179.25 180.50 1b3u h GLU 164 N 0.83 0.75 -0.21 0.00 5.08 -1.02 -2.75 114.58 117.25 1b3u h GLU 164 Ca 0.21 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1b3u h GLU 164 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1b3u h GLU 164 CO -0.03 0.83 0.11 -0.07 -1.00 0.00 0.00 179.01 178.84 1b3u h LEU 165 N 0.58 0.27 -1.01 1.33 3.38 -0.27 -1.84 115.31 117.75 1b3u h LEU 165 Ca 0.12 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1b3u h LEU 165 Cb 0.49 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1b3u h LEU 165 CO 0.02 0.29 0.63 0.03 0.09 0.00 0.00 178.44 179.51 1b3u h ARG 166 N 0.22 0.97 -0.54 1.13 3.08 -1.12 -1.19 114.38 116.94 1b3u h ARG 166 Ca 0.07 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1b3u h ARG 166 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1b3u h ARG 166 CO -0.01 0.64 -0.03 0.37 -1.07 0.00 0.00 179.97 179.87 1b3u h GLN 167 N 1.00 0.97 -0.35 0.04 5.75 -1.15 -1.92 115.11 119.46 1b3u h GLN 167 Ca 0.50 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1b3u h GLN 167 Cb 0.48 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1b3u h GLN 167 CO -0.26 0.99 -0.12 1.88 -2.65 0.00 0.00 178.83 178.67 1b3u h TYR 168 N 0.85 0.65 -0.21 3.99 -1.99 -0.43 -2.09 116.97 117.75 1b3u h TYR 168 Ca 0.15 -0.11 -0.13 0.00 2.00 0.00 0.00 58.73 60.64 1b3u h TYR 168 Cb 0.58 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1b3u h TYR 168 CO 0.04 0.70 -0.41 0.35 -0.00 0.00 0.00 178.16 178.84 1b3u h PHE 169 N 0.55 0.58 -0.24 4.88 3.57 -1.07 -2.38 116.94 122.83 1b3u h PHE 169 Ca 0.10 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1b3u h PHE 169 Cb 0.54 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1b3u h PHE 169 CO 0.02 0.83 0.15 -0.09 -2.23 0.00 0.00 178.31 176.98 1b3u h ARG 170 N 0.40 0.33 -0.62 1.11 2.43 -0.94 -1.05 114.38 116.04 1b3u h ARG 170 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1b3u h ARG 170 Cb 0.90 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1b3u h ARG 170 CO 0.08 0.26 0.36 -0.91 -1.51 0.00 0.00 179.97 178.25 1b3u h ASN 171 N 0.30 0.75 -0.17 -3.80 2.35 -1.20 -2.01 115.58 111.80 1b3u h ASN 171 Ca 0.09 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1b3u h ASN 171 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1b3u h ASN 171 CO -0.02 0.59 0.02 -0.07 -1.65 0.00 0.00 177.43 176.30 1b3u h LEU 172 N 0.86 0.27 -1.93 1.61 3.38 -1.00 -2.24 115.31 116.26 1b3u h LEU 172 Ca 0.22 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1b3u h LEU 172 Cb -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1b3u h LEU 172 CO -0.04 0.48 0.48 0.00 0.09 0.00 0.00 178.44 179.45 1b3u n SER 174 N -3.66 3.07 -4.72 0.00 3.41 -0.99 -4.81 113.62 105.92 1b3u n SER 174 Ca 0.08 -3.22 -0.35 0.00 -0.26 0.00 0.00 58.87 55.12 1b3u n SER 174 Cb 0.66 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1b3u n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b3u s ASP 175 N -2.39 4.32 0.35 4.04 -1.08 0.05 -4.91 116.67 117.04 1b3u s ASP 175 Ca 0.39 2.48 0.10 0.00 -0.52 0.00 0.00 52.55 55.00 1b3u s ASP 175 Cb 0.34 -2.60 0.64 0.00 -1.46 0.00 0.00 42.92 39.84 1b3u s ASP 175 CO 0.05 -2.18 1.80 0.44 0.52 0.00 0.00 175.17 175.80 1b3u h ASP 176 N 0.04 0.13 -3.12 -0.34 3.32 -1.90 -3.43 116.42 111.12 1b3u h ASP 176 Ca -0.49 -0.04 -0.58 0.00 0.02 0.00 0.00 57.03 55.93 1b3u h ASP 176 Cb 1.31 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1b3u h ASP 176 CO 0.51 0.47 0.74 -0.89 -1.72 0.00 0.00 179.24 178.34 1b3u s THR 177 N -4.29 4.71 0.23 0.35 2.01 -1.26 -4.95 115.64 112.44 1b3u s THR 177 Ca -0.04 1.96 -0.06 0.00 0.31 0.00 0.00 61.69 63.86 1b3u s THR 177 Cb 0.14 -4.28 0.18 0.00 0.01 0.00 0.00 72.50 68.55 1b3u s THR 177 CO 0.74 -0.16 1.77 -0.65 -0.69 0.00 0.00 174.62 175.64 1b3u h PRO 178 N 7.47 0.56 -0.84 4.92 0.11 -2.00 -0.76 132.00 141.46 1b3u h PRO 178 Ca -0.20 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.99 1b3u h PRO 178 Cb 1.07 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 1b3u h PRO 178 CO 0.96 0.37 0.55 0.52 -0.21 0.00 0.00 178.00 180.19 1b3u h MET 179 N 0.58 0.69 -0.11 1.05 2.86 -1.97 0.15 114.93 118.18 1b3u h MET 179 Ca 0.36 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.77 1b3u h MET 179 Cb 0.41 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1b3u h MET 179 CO -0.29 0.46 -0.67 0.28 1.06 0.00 0.00 176.91 177.75 1b3u h VAL 180 N 0.72 1.32 -0.52 -2.22 2.07 -1.52 -2.43 116.25 113.68 1b3u h VAL 180 Ca 0.41 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1b3u h VAL 180 Cb 0.58 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1b3u h VAL 180 CO -0.17 0.60 0.10 0.03 0.02 0.00 0.00 177.57 178.15 1b3u h ARG 181 N 0.31 0.80 -0.61 1.57 3.08 -0.59 -1.31 114.38 117.63 1b3u h ARG 181 Ca -0.05 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 1b3u h ARG 181 Cb 1.31 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1b3u h ARG 181 CO 0.14 0.74 0.09 0.00 -1.07 0.00 0.00 179.97 179.87 1b3u h ARG 182 N 0.77 1.02 -0.52 0.04 3.08 -0.69 -0.86 114.38 117.22 1b3u h ARG 182 Ca 0.17 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1b3u h ARG 182 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1b3u h ARG 182 CO 0.00 0.96 0.02 0.00 -1.07 0.00 0.00 179.97 179.88 1b3u h ALA 183 N 1.02 1.07 -0.17 0.04 0.00 -0.95 -1.57 119.26 118.70 1b3u h ALA 183 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1b3u h ALA 183 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b3u h ALA 183 CO 0.01 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 1b3u h ALA 184 N 1.22 0.23 -0.61 0.00 0.00 -1.00 -2.73 119.26 116.38 1b3u h ALA 184 Ca 0.16 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1b3u h ALA 184 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1b3u h ALA 184 CO 0.02 -0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.65 1b3u h ALA 185 N 0.74 1.62 0.00 0.00 0.00 -0.97 0.01 119.26 120.67 1b3u h ALA 185 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1b3u h ALA 185 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b3u h ALA 185 CO 0.01 0.33 -0.19 0.66 0.00 0.00 0.00 179.25 180.06 1b3u h SER 186 N 0.77 0.00 -0.00 0.00 4.64 -1.06 -2.91 113.55 114.99 1b3u h SER 186 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1b3u h SER 186 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b3u h SER 186 CO -0.06 0.19 -0.86 0.29 -0.87 0.00 0.00 176.83 175.52 1b3u n LYS 187 N -3.49 0.61 -0.27 4.77 4.76 -0.61 -4.57 118.16 119.36 1b3u n LYS 187 Ca -0.01 -0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.37 1b3u n LYS 187 Cb 0.35 -1.43 0.23 0.00 -1.84 0.00 0.00 35.03 32.34 1b3u n LYS 187 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1b3u h LEU 188 N 0.34 0.21 0.33 -0.35 5.85 -0.82 -1.52 115.31 119.36 1b3u h LEU 188 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1b3u h LEU 188 Cb 0.50 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1b3u h LEU 188 CO 0.00 0.02 -0.16 1.23 -0.34 0.00 0.00 178.44 179.19 1b3u h GLY 189 N 0.38 -0.47 2.00 3.75 0.00 -1.80 -1.25 103.07 105.67 1b3u h GLY 189 Ca 0.47 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.94 1b3u h GLY 189 CO -0.48 -0.17 -0.15 1.05 0.00 0.00 0.00 176.54 176.78 1b3u h GLU 190 N -0.51 0.00 -0.01 4.80 4.11 -1.78 -1.91 114.58 119.29 1b3u h GLU 190 Ca -0.05 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.13 1b3u h GLU 190 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1b3u h GLU 190 CO 0.08 0.15 -1.01 0.35 0.07 0.00 0.00 179.01 178.65 1b3u h PHE 191 N 0.00 0.98 -0.09 2.06 3.57 -1.11 -3.15 116.94 119.19 1b3u h PHE 191 Ca -0.00 -0.52 -0.04 0.00 3.53 0.00 0.00 57.97 60.93 1b3u h PHE 191 Cb 0.40 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1b3u h PHE 191 CO 0.00 1.36 -0.15 0.00 -2.23 0.00 0.00 178.31 177.29 1b3u h ALA 192 N 0.47 1.59 0.00 2.41 0.00 -0.57 -2.53 119.26 120.63 1b3u h ALA 192 Ca -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1b3u h ALA 192 Cb 1.65 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1b3u h ALA 192 CO 0.19 0.30 -0.11 -0.22 0.00 0.00 0.00 179.25 179.42 1b3u h LYS 193 N 0.14 0.00 -0.37 0.00 1.63 -1.33 -2.47 116.57 114.16 1b3u h LYS 193 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1b3u h LYS 193 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1b3u h LYS 193 CO 0.02 0.11 0.00 1.33 -3.45 0.00 0.00 179.45 177.46 1b3u n VAL 194 N -4.18 0.55 -2.94 2.00 0.24 -0.96 -4.95 118.33 108.09 1b3u n VAL 194 Ca -0.03 -0.77 -0.27 0.00 -2.04 0.00 0.00 64.34 61.24 1b3u n VAL 194 Cb 0.19 0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1b3u n VAL 194 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1b3u s LEU 195 N -1.35 3.80 0.42 1.34 1.43 -0.93 -4.75 118.68 118.63 1b3u s LEU 195 Ca 0.35 0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.01 1b3u s LEU 195 Cb 0.21 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 1b3u s LEU 195 CO 0.29 -0.45 0.97 -1.83 0.23 0.00 0.00 176.35 175.56 1b3u s GLU 196 N -4.46 4.21 0.29 1.70 1.03 -1.26 -4.90 118.70 115.31 1b3u s GLU 196 Ca 0.45 1.24 0.04 0.00 0.03 0.00 0.00 54.97 56.73 1b3u s GLU 196 Cb -0.10 -2.31 0.72 0.00 -0.80 0.00 0.00 34.13 31.64 1b3u s GLU 196 CO 0.40 -0.06 1.73 -0.07 -1.33 0.00 0.00 175.26 175.93 1b3u h LEU 197 N 2.13 0.52 -0.73 1.83 3.38 -1.97 -1.25 115.31 119.22 1b3u h LEU 197 Ca -0.49 0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.75 1b3u h LEU 197 Cb 1.19 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1b3u h LEU 197 CO 0.61 0.11 0.27 0.44 0.09 0.00 0.00 178.44 179.96 1b3u h ASP 198 N 0.54 0.22 1.30 -0.43 5.19 -1.99 -0.08 116.42 121.17 1b3u h ASP 198 Ca 0.56 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 57.04 1b3u h ASP 198 Cb 0.99 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1b3u h ASP 198 CO -0.46 0.08 -0.21 0.78 -3.12 0.00 0.00 179.24 176.30 1b3u h ASN 199 N 0.40 0.00 0.01 6.45 2.35 -1.62 -2.38 115.58 120.80 1b3u h ASN 199 Ca 0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1b3u h ASN 199 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1b3u h ASN 199 CO -0.41 0.21 -0.01 0.58 -1.65 0.00 0.00 177.43 176.15 1b3u h VAL 200 N 0.00 1.40 0.00 2.81 2.07 -0.73 0.32 116.25 122.12 1b3u h VAL 200 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1b3u h VAL 200 Cb 0.92 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1b3u h VAL 200 CO 0.03 0.33 0.00 0.11 0.02 0.00 0.00 177.57 178.06 1b3u h LYS 201 N -0.57 0.00 0.00 1.57 1.57 -1.19 -2.06 116.57 115.90 1b3u h LYS 201 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1b3u h LYS 201 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1b3u h LYS 201 CO 0.00 0.00 -1.96 -1.13 -0.57 0.00 0.00 179.45 175.80 1b3u n SER 202 N -2.97 2.45 -0.08 0.86 3.41 -0.90 -4.69 113.62 111.71 1b3u n SER 202 Ca 0.01 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 1b3u n SER 202 Cb 0.28 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1b3u n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b3u n GLU 203 N -2.88 0.40 0.04 4.33 1.02 0.11 -4.51 120.64 119.16 1b3u n GLU 203 Ca -0.28 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.83 1b3u n GLU 203 Cb 0.85 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.89 1b3u n GLU 203 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1b3u h ILE 204 N -0.07 1.07 -0.63 -3.67 1.08 -0.85 -3.04 117.51 111.41 1b3u h ILE 204 Ca -0.37 -0.40 0.11 0.00 -0.39 0.00 0.00 64.86 63.82 1b3u h ILE 204 Cb 1.54 1.34 -0.12 0.00 -3.07 0.00 0.00 36.82 36.51 1b3u h ILE 204 CO -0.08 0.10 -0.31 0.40 -0.69 0.00 0.00 178.15 177.57 1b3u h ILE 205 N -0.24 0.18 0.00 -0.67 1.08 -1.67 0.21 117.51 116.40 1b3u h ILE 205 Ca -0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1b3u h ILE 205 Cb 0.22 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1b3u h ILE 205 CO 0.01 0.00 -0.24 1.55 -0.69 0.00 0.00 178.15 178.78 1b3u h PRO 206 N -0.13 0.00 -0.16 2.37 0.13 -1.78 0.19 132.00 132.62 1b3u h PRO 206 Ca 0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.24 1b3u h PRO 206 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1b3u h PRO 206 CO -0.70 0.24 -0.47 0.52 -0.23 0.00 0.00 178.00 177.36 1b3u h MET 207 N 0.00 0.60 0.23 0.86 2.86 -1.01 -1.88 114.93 116.59 1b3u h MET 207 Ca -0.00 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1b3u h MET 207 Cb 0.48 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1b3u h MET 207 CO 0.03 1.05 -0.25 0.35 1.06 0.00 0.00 176.91 179.16 1b3u h PHE 208 N 0.26 -0.66 -0.43 -0.22 3.57 -0.19 -1.89 116.94 117.39 1b3u h PHE 208 Ca -0.01 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1b3u h PHE 208 Cb 1.09 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 1b3u h PHE 208 CO 0.10 -0.36 0.15 1.03 -2.23 0.00 0.00 178.31 176.99 1b3u h SER 209 N -0.52 0.15 -0.66 0.41 0.87 -0.63 -1.40 113.55 111.77 1b3u h SER 209 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1b3u h SER 209 Cb 0.49 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1b3u h SER 209 CO -0.07 0.12 0.39 0.78 -0.53 0.00 0.00 176.83 177.52 1b3u h ASN 210 N 0.31 0.80 -0.23 6.23 2.35 -1.17 -2.35 115.58 121.52 1b3u h ASN 210 Ca 0.20 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1b3u h ASN 210 Cb 0.19 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1b3u h ASN 210 CO -0.21 0.63 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.09 1b3u h LEU 211 N 0.89 0.54 -0.09 1.61 3.38 -0.97 -2.04 115.31 118.63 1b3u h LEU 211 Ca 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1b3u h LEU 211 Cb -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1b3u h LEU 211 CO -0.04 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1b3u n ALA 212 N -2.48 1.80 -0.93 1.53 0.00 -0.56 -2.13 120.51 117.74 1b3u n ALA 212 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1b3u n ALA 212 Cb 0.28 -1.30 0.16 0.00 0.00 0.00 0.00 19.45 18.59 1b3u n ALA 212 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b3u n SER 213 N -1.62 2.70 -4.74 0.00 3.41 -0.80 -4.89 113.62 107.68 1b3u n SER 213 Ca 0.04 -2.95 -0.37 0.00 -0.26 0.00 0.00 58.87 55.33 1b3u n SER 213 Cb 0.22 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1b3u n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b3u s ASP 214 N -2.44 4.74 0.47 4.04 -1.08 -0.90 -4.92 116.67 116.58 1b3u s ASP 214 Ca 0.31 2.59 0.30 0.00 -0.52 0.00 0.00 52.55 55.24 1b3u s ASP 214 Cb 0.27 -2.62 1.11 0.00 -1.46 0.00 0.00 42.92 40.21 1b3u s ASP 214 CO 0.04 -1.91 1.87 -0.33 0.52 0.00 0.00 175.17 175.36 1b3u h GLU 215 N 0.66 0.00 -5.17 4.34 5.08 -1.91 -3.43 114.58 114.14 1b3u h GLU 215 Ca -0.51 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.22 1b3u h GLU 215 Cb 1.33 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.43 1b3u h GLU 215 CO 0.54 0.00 -0.18 -0.65 -1.00 0.00 0.00 179.01 177.72 1b3u s GLN 216 N -3.51 3.89 0.20 2.33 1.11 -1.26 -4.96 119.66 117.45 1b3u s GLN 216 Ca 0.03 -0.02 -0.13 0.00 0.01 0.00 0.00 55.36 55.25 1b3u s GLN 216 Cb 0.08 -3.70 0.23 0.00 -1.01 0.00 0.00 33.01 28.61 1b3u s GLN 216 CO 0.55 -0.39 1.66 -0.44 0.01 0.00 0.00 175.29 176.68 1b3u h ASP 217 N 8.24 -0.31 -0.05 5.90 3.32 -2.00 0.68 116.42 132.19 1b3u h ASP 217 Ca -0.30 0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1b3u h ASP 217 Cb 1.15 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 1b3u h ASP 217 CO 0.68 -0.12 0.15 0.77 -1.72 0.00 0.00 179.24 179.01 1b3u h SER 218 N 0.08 0.00 0.06 6.45 4.64 -1.97 -1.75 113.55 121.06 1b3u h SER 218 Ca 0.28 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.33 1b3u h SER 218 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1b3u h SER 218 CO -0.50 0.00 -1.45 0.58 -0.87 0.00 0.00 176.83 174.59 1b3u h VAL 219 N 0.00 0.88 -1.00 0.95 2.07 -1.27 -3.38 116.25 114.49 1b3u h VAL 219 Ca 0.02 -2.27 0.08 0.00 0.82 0.00 0.00 66.70 65.35 1b3u h VAL 219 Cb 0.33 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 1b3u h VAL 219 CO -0.00 0.56 0.64 0.03 0.02 0.00 0.00 177.57 178.82 1b3u h ARG 220 N -0.57 1.09 -0.31 1.57 3.08 -0.62 -2.46 114.38 116.16 1b3u h ARG 220 Ca -0.35 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.66 1b3u h ARG 220 Cb 1.59 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 1b3u h ARG 220 CO -0.07 0.72 0.21 1.25 -1.07 0.00 0.00 179.97 181.01 1b3u h LEU 221 N 1.12 0.26 0.00 3.04 6.46 -1.54 -1.52 115.31 123.13 1b3u h LEU 221 Ca 0.45 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 1b3u h LEU 221 Cb 0.27 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1b3u h LEU 221 CO -0.20 0.18 0.00 0.18 -0.62 0.00 0.00 178.44 177.98 1b3u n LEU 222 N -4.49 0.00 0.16 2.25 4.77 -0.93 -3.18 117.00 115.59 1b3u n LEU 222 Ca 0.03 0.46 0.03 0.00 -0.03 0.00 0.00 56.01 56.50 1b3u n LEU 222 Cb 0.16 -0.46 0.20 0.00 -2.33 0.00 0.00 43.42 40.99 1b3u n LEU 222 CO 0.35 -0.14 0.56 0.00 -1.33 0.00 0.00 177.39 176.83 1b3u h ALA 223 N 2.76 0.84 -0.60 -1.18 0.00 -1.36 -3.26 119.26 116.46 1b3u h ALA 223 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1b3u h ALA 223 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1b3u h ALA 223 CO 0.00 0.60 0.39 0.28 0.00 0.00 0.00 179.25 180.51 1b3u h VAL 224 N 0.00 1.13 -0.05 0.00 2.07 -1.71 0.22 116.25 117.91 1b3u h VAL 224 Ca -0.00 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1b3u h VAL 224 Cb 1.13 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1b3u h VAL 224 CO 0.06 0.14 0.03 -0.08 0.02 0.00 0.00 177.57 177.74 1b3u h GLU 225 N 0.79 0.08 -0.67 1.57 4.57 -1.78 -1.60 114.58 117.52 1b3u h GLU 225 Ca 0.23 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.52 1b3u h GLU 225 Cb -0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1b3u h GLU 225 CO -0.06 0.15 0.45 0.00 -1.18 0.00 0.00 179.01 178.37 1b3u h ALA 226 N 0.92 2.11 -0.70 2.92 0.00 -1.50 -0.09 119.26 122.91 1b3u h ALA 226 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1b3u h ALA 226 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1b3u h ALA 226 CO -0.00 -0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.17 1b3u h VAL 228 N 1.05 1.27 -0.30 0.00 2.07 -0.52 -1.88 116.25 117.94 1b3u h VAL 228 Ca 0.23 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1b3u h VAL 228 Cb 0.32 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1b3u h VAL 228 CO -0.00 0.32 0.17 0.78 0.02 0.00 0.00 177.57 178.85 1b3u h ASN 229 N 0.32 0.37 -0.27 0.57 -0.26 -1.05 -2.29 115.58 112.98 1b3u h ASN 229 Ca 0.08 -0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1b3u h ASN 229 Cb 0.48 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1b3u h ASN 229 CO 0.02 0.35 -0.10 0.40 -1.06 0.00 0.00 177.43 177.04 1b3u h ILE 230 N 0.37 1.25 -0.13 2.81 2.04 -0.64 -2.80 117.51 120.40 1b3u h ILE 230 Ca 0.11 -1.09 -0.10 0.00 1.00 0.00 0.00 64.86 64.78 1b3u h ILE 230 Cb 0.05 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1b3u h ILE 230 CO -0.02 0.37 -0.36 0.00 0.00 0.00 0.00 178.15 178.13 1b3u h ALA 231 N 1.28 1.14 0.00 1.87 0.00 -1.14 -2.81 119.26 119.60 1b3u h ALA 231 Ca 0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1b3u h ALA 231 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b3u h ALA 231 CO 0.03 0.56 -0.16 1.96 0.00 0.00 0.00 179.25 181.64 1b3u h GLN 232 N 0.23 0.00 0.00 0.00 4.20 -1.15 -3.02 115.11 115.37 1b3u h GLN 232 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1b3u h GLN 232 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1b3u h GLN 232 CO 0.06 0.16 -0.82 -0.07 -0.67 0.00 0.00 178.83 177.49 1b3u h LEU 233 N 0.00 0.00-10.13 1.46 3.38 -1.39 -3.48 115.31 105.15 1b3u h LEU 233 Ca -0.00 -0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.32 1b3u h LEU 233 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1b3u h LEU 233 CO 0.02 0.09 -0.45 -0.76 0.09 0.00 0.00 178.44 177.43 1b3u s LEU 234 N -4.55 4.24 0.47 1.67 1.43 -1.14 -5.08 118.68 115.73 1b3u s LEU 234 Ca 0.04 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 1b3u s LEU 234 Cb 0.12 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 1b3u s LEU 234 CO 0.76 -0.06 0.95 -2.16 0.23 0.00 0.00 176.35 176.07 1b3u s PRO 235 N -3.90 4.01 0.30 1.29 0.04 -1.26 -4.95 135.00 130.53 1b3u s PRO 235 Ca 0.34 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.36 1b3u s PRO 235 Cb -0.09 -2.18 0.79 0.00 0.04 0.00 0.00 34.50 33.06 1b3u s PRO 235 CO 0.28 -0.17 1.61 1.96 0.04 0.00 0.00 177.00 180.73 1b3u h GLN 236 N 1.27 0.11 0.00 4.56 1.08 -1.95 -1.04 115.11 119.14 1b3u h GLN 236 Ca -0.47 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1b3u h GLN 236 Cb 1.18 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1b3u h GLN 236 CO 0.62 0.08 -0.00 0.93 -0.95 0.00 0.00 178.83 179.50 1b3u h GLU 237 N 0.12 0.00 0.00 1.46 3.07 -1.99 -2.94 114.58 114.30 1b3u h GLU 237 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1b3u h GLU 237 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1b3u h GLU 237 CO -0.76 0.00 -1.11 -0.25 -1.40 0.00 0.00 179.01 175.49 1b3u n ASP 238 N -3.75 0.63 0.04 1.42 8.00 -0.40 -4.54 116.55 117.96 1b3u n ASP 238 Ca -0.03 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 1b3u n ASP 238 Cb 0.08 0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 1b3u n ASP 238 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1b3u h LEU 239 N 0.00 -1.02 -0.98 0.64 3.38 -1.56 0.97 115.31 116.75 1b3u h LEU 239 Ca 0.00 0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.29 1b3u h LEU 239 Cb 0.88 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 1b3u h LEU 239 CO 0.00 -0.39 0.58 -0.08 0.09 0.00 0.00 178.44 178.65 1b3u h GLU 240 N -0.46 0.71 0.00 1.13 4.57 -1.80 0.41 114.58 119.15 1b3u h GLU 240 Ca 0.07 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.97 1b3u h GLU 240 Cb 0.57 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1b3u h GLU 240 CO -0.30 0.47 -1.57 0.00 -1.18 0.00 0.00 179.01 176.43 1b3u n ALA 241 N -2.35 1.69 0.00 2.92 0.00 -1.03 -4.06 120.51 117.68 1b3u n ALA 241 Ca 0.23 -0.66 0.09 0.00 0.00 0.00 0.00 53.44 53.10 1b3u n ALA 241 Cb 0.56 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.97 1b3u n ALA 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b3u n LEU 242 N -2.98 0.01 0.00 0.00 4.77 0.31 -4.83 117.00 114.28 1b3u n LEU 242 Ca -0.13 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1b3u n LEU 242 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1b3u n LEU 242 CO 0.44 0.00 -0.45 0.52 -1.33 0.00 0.00 177.39 176.58 1b3u n VAL 243 N -2.11 0.00 -0.33 4.08 0.31 0.13 -4.84 118.33 115.57 1b3u n VAL 243 Ca -0.03 0.00 0.21 0.00 -0.01 0.00 0.00 64.34 64.51 1b3u n VAL 243 Cb 0.46 -1.31 0.43 0.00 -0.91 0.00 0.00 33.84 32.52 1b3u n VAL 243 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1b3u h MET 244 N 0.00 0.36 -0.28 5.55 2.86 -1.40 -1.04 114.93 120.97 1b3u h MET 244 Ca 0.00 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1b3u h MET 244 Cb 0.89 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1b3u h MET 244 CO 0.00 0.24 0.05 -1.35 1.06 0.00 0.00 176.91 176.91 1b3u h PRO 245 N 0.37 0.15 -0.51 -0.22 0.11 -1.85 -0.20 132.00 129.85 1b3u h PRO 245 Ca 0.69 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.67 1b3u h PRO 245 Cb 1.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.57 1b3u h PRO 245 CO -0.58 0.10 -0.17 1.15 -0.21 0.00 0.00 178.00 178.28 1b3u h THR 246 N 0.15 1.27 -0.53 -1.15 2.02 -1.55 -2.24 112.91 110.88 1b3u h THR 246 Ca 0.13 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1b3u h THR 246 Cb 0.14 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1b3u h THR 246 CO -0.18 0.47 0.32 0.25 0.37 0.00 0.00 175.52 176.75 1b3u h LEU 247 N 0.89 0.64 -1.21 2.58 5.85 -1.06 -1.02 115.31 121.98 1b3u h LEU 247 Ca 0.12 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1b3u h LEU 247 Cb 0.75 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1b3u h LEU 247 CO 0.06 0.51 0.31 0.03 -0.34 0.00 0.00 178.44 179.01 1b3u h ARG 248 N 0.71 0.86 -0.15 1.25 3.08 -0.93 -0.97 114.38 118.23 1b3u h ARG 248 Ca 0.19 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1b3u h ARG 248 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1b3u h ARG 248 CO -0.04 0.65 -0.22 0.37 -1.07 0.00 0.00 179.97 179.67 1b3u h GLN 249 N 0.87 0.27 -0.04 0.04 4.15 -0.74 -2.58 115.11 117.07 1b3u h GLN 249 Ca 0.22 -0.08 -0.18 0.00 0.77 0.00 0.00 58.65 59.37 1b3u h GLN 249 Cb 0.06 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.74 1b3u h GLN 249 CO -0.03 0.48 -0.68 0.00 -1.93 0.00 0.00 178.83 176.67 1b3u h ALA 250 N 1.53 0.14 -0.10 3.38 0.00 -0.19 -2.28 119.26 121.74 1b3u h ALA 250 Ca 0.04 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1b3u h ALA 250 Cb 0.53 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1b3u h ALA 250 CO 0.04 0.46 0.07 0.00 0.00 0.00 0.00 179.25 179.81 1b3u h ALA 251 N 0.40 1.99 -0.43 0.00 0.00 -1.06 -2.08 119.26 118.08 1b3u h ALA 251 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b3u h ALA 251 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1b3u h ALA 251 CO 0.14 -0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.77 1b3u n GLU 252 N -4.52 3.50 -1.78 0.00 1.02 -0.99 -4.84 120.64 113.03 1b3u n GLU 252 Ca -0.01 -2.79 -0.40 0.00 -0.02 0.00 0.00 57.16 53.94 1b3u n GLU 252 Cb 0.12 -1.84 0.02 0.00 -0.02 0.00 0.00 31.44 29.72 1b3u n GLU 252 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1b3u s ASP 253 N -1.31 5.82 0.49 1.62 -1.08 -0.78 -4.90 116.67 116.53 1b3u s ASP 253 Ca 0.44 2.93 0.18 0.00 -0.52 0.00 0.00 52.55 55.58 1b3u s ASP 253 Cb 0.32 -2.65 1.21 0.00 -1.46 0.00 0.00 42.92 40.33 1b3u s ASP 253 CO 0.15 -1.22 2.07 0.11 0.52 0.00 0.00 175.17 176.80 1b3u h LYS 254 N 2.26 0.00 -6.01 4.34 6.56 -1.91 -3.42 116.57 118.40 1b3u h LYS 254 Ca -0.51 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 58.51 1b3u h LYS 254 Cb 1.27 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.87 1b3u h LYS 254 CO 0.61 0.11 0.41 0.45 -2.06 0.00 0.00 179.45 178.97 1b3u s SER 255 N -6.82 7.01 0.57 0.86 0.15 -1.26 -4.92 113.70 109.29 1b3u s SER 255 Ca -0.04 1.25 0.34 0.00 0.70 0.00 0.00 55.95 58.19 1b3u s SER 255 Cb 0.16 -2.47 1.69 0.00 -1.71 0.00 0.00 66.02 63.68 1b3u s SER 255 CO 0.66 -0.39 2.13 4.11 1.20 0.00 0.00 173.24 180.95 1b3u h TRP 256 N 7.25 0.00 -0.21 3.44 5.08 -2.00 -2.09 115.95 127.42 1b3u h TRP 256 Ca -0.30 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.57 1b3u h TRP 256 Cb 1.14 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.28 1b3u h TRP 256 CO 0.71 0.06 -0.27 0.00 -1.28 0.00 0.00 178.44 177.66 1b3u h ARG 257 N 0.00 0.40 -0.07 0.12 3.08 -1.94 0.40 114.38 116.37 1b3u h ARG 257 Ca -0.00 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1b3u h ARG 257 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1b3u h ARG 257 CO 0.01 0.65 -0.18 0.28 -1.07 0.00 0.00 179.97 179.66 1b3u h VAL 258 N 0.36 1.42 -0.64 2.04 2.07 -1.74 -2.57 116.25 117.19 1b3u h VAL 258 Ca 0.05 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1b3u h VAL 258 Cb 0.67 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1b3u h VAL 258 CO 0.05 0.43 0.30 0.03 0.02 0.00 0.00 177.57 178.40 1b3u h ARG 259 N -0.26 0.90 -0.35 1.57 3.08 -1.29 -1.32 114.38 116.71 1b3u h ARG 259 Ca -0.00 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1b3u h ARG 259 Cb 0.78 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1b3u h ARG 259 CO 0.04 0.69 0.09 -0.92 -1.07 0.00 0.00 179.97 178.80 1b3u h TYR 260 N 0.90 0.15 -0.92 3.04 3.20 -0.14 -1.26 116.97 121.94 1b3u h TYR 260 Ca 0.22 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1b3u h TYR 260 Cb 0.09 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1b3u h TYR 260 CO 0.01 0.04 0.60 0.52 -1.64 0.00 0.00 178.16 177.69 1b3u h MET 261 N 0.22 1.10 -0.38 1.82 2.86 -0.84 0.16 114.93 119.86 1b3u h MET 261 Ca 0.16 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1b3u h MET 261 Cb 0.17 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1b3u h MET 261 CO -0.20 0.73 0.24 0.28 1.06 0.00 0.00 176.91 179.02 1b3u h VAL 262 N 1.13 1.12 -0.69 -2.22 2.07 -0.56 -2.23 116.25 114.87 1b3u h VAL 262 Ca 0.37 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1b3u h VAL 262 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1b3u h VAL 262 CO -0.12 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.75 1b3u h ALA 263 N 1.11 0.91 0.00 1.67 0.00 -0.54 -1.77 119.26 120.64 1b3u h ALA 263 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1b3u h ALA 263 Cb -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1b3u h ALA 263 CO -0.03 0.64 -0.03 0.22 0.00 0.00 0.00 179.25 180.05 1b3u h ASP 264 N 1.04 0.00 0.00 0.00 3.58 -0.36 -2.70 116.42 117.98 1b3u h ASP 264 Ca 0.21 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1b3u h ASP 264 Cb 0.39 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 1b3u h ASP 264 CO 0.00 0.03 -0.13 0.29 -2.88 0.00 0.00 179.24 176.55 1b3u n LYS 265 N -3.33 1.29 -0.35 0.28 5.02 -0.87 -4.81 118.16 115.38 1b3u n LYS 265 Ca -0.02 -2.68 0.02 0.00 -2.02 0.00 0.00 58.31 53.61 1b3u n LYS 265 Cb 0.16 -1.48 0.18 0.00 -0.02 0.00 0.00 35.03 33.87 1b3u n LYS 265 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1b3u h PHE 266 N 0.23 1.18 -0.41 2.13 3.57 -0.99 -1.03 116.94 121.61 1b3u h PHE 266 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1b3u h PHE 266 Cb 1.02 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1b3u h PHE 266 CO 0.17 0.64 0.01 1.79 -2.23 0.00 0.00 178.31 178.68 1b3u h THR 267 N 1.18 1.26 -0.54 4.41 1.35 -1.87 0.28 112.91 118.97 1b3u h THR 267 Ca 0.41 -1.01 -0.11 0.00 -0.55 0.00 0.00 66.41 65.15 1b3u h THR 267 Cb 0.11 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1b3u h THR 267 CO -0.15 0.34 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.05 1b3u h GLU 268 N 0.56 1.01 -0.66 4.72 5.08 -1.87 -0.47 114.58 122.95 1b3u h GLU 268 Ca 0.12 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1b3u h GLU 268 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1b3u h GLU 268 CO 0.02 1.04 0.33 -0.07 -1.00 0.00 0.00 179.01 179.33 1b3u h LEU 269 N 0.90 0.85 0.23 1.33 3.38 -0.96 0.10 115.31 121.14 1b3u h LEU 269 Ca 0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1b3u h LEU 269 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1b3u h LEU 269 CO 0.04 0.73 -0.28 -0.61 0.09 0.00 0.00 178.44 178.41 1b3u h GLN 270 N 0.90 -0.54 -0.64 1.13 4.15 0.09 -0.03 115.11 120.17 1b3u h GLN 270 Ca 0.23 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1b3u h GLN 270 Cb 0.09 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1b3u h GLN 270 CO -0.03 -0.36 0.35 0.87 -1.93 0.00 0.00 178.83 177.73 1b3u h LYS 271 N -0.56 0.89 -0.19 1.69 1.57 -0.88 -2.16 116.57 116.93 1b3u h LYS 271 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1b3u h LYS 271 Cb 0.54 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1b3u h LYS 271 CO -0.09 0.67 -0.16 0.00 -0.57 0.00 0.00 179.45 179.30 1b3u h ALA 272 N 1.17 1.38 0.00 3.86 0.00 -0.50 -3.16 119.26 122.01 1b3u h ALA 272 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1b3u h ALA 272 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1b3u h ALA 272 CO -0.04 0.43 -1.01 -0.24 0.00 0.00 0.00 179.25 178.39 1b3u h VAL 273 N 0.30 0.10 0.00 0.00 3.04 -0.79 -3.43 116.25 115.48 1b3u h VAL 273 Ca 0.06 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1b3u h VAL 273 Cb 0.46 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1b3u h VAL 273 CO 0.03 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.26 1b3u n GLY 274 N 1.21 -0.86 0.36 3.17 0.00 -0.83 -4.51 105.19 103.73 1b3u n GLY 274 Ca -0.01 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.56 1b3u n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b3u h PRO 275 N 0.00 0.65 0.37 1.61 0.13 -1.91 -1.23 132.00 131.61 1b3u h PRO 275 Ca 0.00 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1b3u h PRO 275 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.99 1b3u h PRO 275 CO 0.00 0.43 -0.18 0.93 -0.23 0.00 0.00 178.00 178.95 1b3u h GLU 276 N 0.67 -0.47 -0.33 0.86 5.08 -1.98 -1.87 114.58 116.54 1b3u h GLU 276 Ca 0.38 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1b3u h GLU 276 Cb 0.55 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1b3u h GLU 276 CO -0.15 -0.27 -0.23 0.82 -1.00 0.00 0.00 179.01 178.18 1b3u h ILE 277 N -0.57 1.27 -0.99 3.13 2.04 -1.77 -2.63 117.51 117.99 1b3u h ILE 277 Ca -0.05 -1.30 0.12 0.00 1.00 0.00 0.00 64.86 64.64 1b3u h ILE 277 Cb 0.43 1.27 -0.09 0.00 -0.74 0.00 0.00 36.82 37.69 1b3u h ILE 277 CO 0.08 0.42 0.62 0.74 0.00 0.00 0.00 178.15 180.02 1b3u h THR 278 N 0.56 0.90 -0.03 -0.27 2.02 -1.06 0.16 112.91 115.19 1b3u h THR 278 Ca 0.08 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1b3u h THR 278 Cb 0.70 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1b3u h THR 278 CO 0.05 0.18 -0.04 0.11 0.37 0.00 0.00 175.52 176.19 1b3u h LYS 279 N 0.96 0.08 -0.19 6.66 1.57 -0.99 0.54 116.57 125.21 1b3u h LYS 279 Ca 0.50 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.10 1b3u h LYS 279 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1b3u h LYS 279 CO -0.27 0.56 -0.39 1.15 -0.57 0.00 0.00 179.45 179.92 1b3u h THR 280 N -0.39 1.33 0.00 -0.16 2.02 -1.15 -3.36 112.91 111.20 1b3u h THR 280 Ca 0.01 -1.62 -0.30 0.00 0.77 0.00 0.00 66.41 65.26 1b3u h THR 280 Cb 0.54 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1b3u h THR 280 CO 0.01 0.50 -1.96 0.47 0.37 0.00 0.00 175.52 174.91 1b3u n ASP 281 N -4.26 1.44 -0.26 4.18 8.00 0.52 -4.64 116.55 121.53 1b3u n ASP 281 Ca -0.06 0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.62 1b3u n ASP 281 Cb 0.53 -0.59 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1b3u n ASP 281 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1b3u h LEU 282 N -0.72 1.02 -0.48 0.64 3.38 -1.39 -2.07 115.31 115.69 1b3u h LEU 282 Ca -0.45 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.36 1b3u h LEU 282 Cb 1.36 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1b3u h LEU 282 CO -0.27 0.94 0.24 0.58 0.09 0.00 0.00 178.44 180.02 1b3u h VAL 283 N 1.05 0.97 -0.38 1.22 2.07 -1.05 0.37 116.25 120.50 1b3u h VAL 283 Ca 0.24 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1b3u h VAL 283 Cb 0.26 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1b3u h VAL 283 CO -0.01 0.09 -0.27 -0.65 0.02 0.00 0.00 177.57 176.74 1b3u h PRO 284 N 0.48 0.85 -0.92 1.57 0.11 -1.78 -2.95 132.00 129.37 1b3u h PRO 284 Ca 0.21 -0.41 0.02 0.00 0.11 0.00 0.00 66.00 65.92 1b3u h PRO 284 Cb 0.11 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.17 1b3u h PRO 284 CO -0.14 1.05 0.61 0.00 -0.21 0.00 0.00 178.00 179.31 1b3u h ALA 285 N 0.78 1.36 -0.68 -0.75 0.00 -0.94 -2.30 119.26 116.73 1b3u h ALA 285 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1b3u h ALA 285 Cb 0.85 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1b3u h ALA 285 CO 0.07 0.58 0.16 0.35 0.00 0.00 0.00 179.25 180.42 1b3u h PHE 286 N 1.22 1.13 -0.96 0.00 3.57 -0.16 -2.00 116.94 119.75 1b3u h PHE 286 Ca 0.34 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1b3u h PHE 286 Cb -0.11 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.26 1b3u h PHE 286 CO -0.00 0.92 0.60 1.96 -2.23 0.00 0.00 178.31 179.56 1b3u h GLN 287 N 1.03 1.28 -0.36 1.11 4.20 -1.26 -1.65 115.11 119.46 1b3u h GLN 287 Ca 0.22 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1b3u h GLN 287 Cb 0.36 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1b3u h GLN 287 CO 0.00 0.88 0.09 -0.91 -0.67 0.00 0.00 178.83 178.22 1b3u h ASN 288 N 1.31 0.55 -0.68 1.46 2.35 -1.00 -2.74 115.58 116.83 1b3u h ASN 288 Ca 0.35 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1b3u h ASN 288 Cb -0.09 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1b3u h ASN 288 CO -0.07 0.64 0.39 -0.07 -1.65 0.00 0.00 177.43 176.67 1b3u h LEU 289 N 0.44 0.83 -2.52 1.61 3.38 -1.07 -0.35 115.31 117.63 1b3u h LEU 289 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1b3u h LEU 289 Cb 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1b3u h LEU 289 CO 0.00 0.66 0.00 0.24 0.09 0.00 0.00 178.44 179.43 1b3u h MET 290 N 0.92 0.00 -0.14 1.13 2.86 -1.18 -1.81 114.93 116.70 1b3u h MET 290 Ca 0.24 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1b3u h MET 290 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1b3u h MET 290 CO -0.04 0.00 -0.29 1.63 1.06 0.00 0.00 176.91 179.27 1b3u n LYS 291 N -2.97 1.70 -1.67 1.72 5.02 -0.25 -4.86 118.16 116.86 1b3u n LYS 291 Ca -0.02 -3.20 -0.34 0.00 -2.02 0.00 0.00 58.31 52.73 1b3u n LYS 291 Cb 0.11 -1.69 0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1b3u n LYS 291 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b3u s ASP 292 N -2.91 4.76 0.42 4.39 -1.08 -0.57 -4.93 116.67 116.75 1b3u s ASP 292 Ca 0.40 2.20 0.23 0.00 -0.52 0.00 0.00 52.55 54.86 1b3u s ASP 292 Cb 0.38 -2.57 0.75 0.00 -1.46 0.00 0.00 42.92 40.01 1b3u s ASP 292 CO -0.03 -1.87 1.75 0.00 0.52 0.00 0.00 175.17 175.54 1b3u s GLU 294 N -3.49 4.19 0.40 0.00 0.41 -1.26 -5.00 118.70 113.95 1b3u s GLU 294 Ca 0.02 0.14 0.13 0.00 -0.41 0.00 0.00 54.97 54.85 1b3u s GLU 294 Cb 0.09 -3.40 0.83 0.00 -1.78 0.00 0.00 34.13 29.88 1b3u s GLU 294 CO 0.65 0.30 1.90 0.00 -0.49 0.00 0.00 175.26 177.62 1b3u h ALA 295 N 6.42 1.52 -0.58 5.21 0.00 -2.00 -2.77 119.26 127.07 1b3u h ALA 295 Ca -0.43 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1b3u h ALA 295 Cb 1.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1b3u h ALA 295 CO 0.73 0.36 0.38 0.93 0.00 0.00 0.00 179.25 181.65 1b3u h GLU 296 N 0.05 0.76 -0.42 0.00 3.07 -1.97 0.37 114.58 116.45 1b3u h GLU 296 Ca 0.01 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 1b3u h GLU 296 Cb 0.48 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1b3u h GLU 296 CO 0.03 0.51 -0.05 0.28 -1.40 0.00 0.00 179.01 178.38 1b3u h VAL 297 N 0.79 1.27 -0.74 3.13 2.07 -1.86 -1.60 116.25 119.31 1b3u h VAL 297 Ca 0.21 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1b3u h VAL 297 Cb -0.09 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1b3u h VAL 297 CO -0.05 0.38 0.49 0.03 0.02 0.00 0.00 177.57 178.44 1b3u h ARG 298 N 0.60 0.94 -0.26 1.57 3.08 -1.17 -1.09 114.38 118.05 1b3u h ARG 298 Ca 0.11 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1b3u h ARG 298 Cb 0.56 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1b3u h ARG 298 CO 0.03 0.62 -0.23 0.00 -1.07 0.00 0.00 179.97 179.33 1b3u h ALA 299 N 1.55 0.38 -0.41 0.04 0.00 -0.67 -1.69 119.26 118.47 1b3u h ALA 299 Ca 0.28 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1b3u h ALA 299 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1b3u h ALA 299 CO -0.07 0.34 0.21 0.00 0.00 0.00 0.00 179.25 179.73 1b3u h ALA 300 N 0.70 0.51 -0.44 0.00 0.00 -0.72 -2.11 119.26 117.19 1b3u h ALA 300 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1b3u h ALA 300 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1b3u h ALA 300 CO 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.25 1b3u h ALA 301 N 1.21 1.33 -0.96 0.00 0.00 -1.16 -2.70 119.26 116.98 1b3u h ALA 301 Ca 0.17 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1b3u h ALA 301 Cb 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1b3u h ALA 301 CO -0.11 0.47 0.63 0.77 0.00 0.00 0.00 179.25 181.01 1b3u h SER 302 N 0.65 1.06 0.06 0.00 0.02 -0.65 -2.13 113.55 112.56 1b3u h SER 302 Ca 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1b3u h SER 302 Cb 0.28 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1b3u h SER 302 CO 0.00 0.74 -0.06 0.45 -1.14 0.00 0.00 176.83 176.83 1b3u h HIS 303 N 1.24 0.00 -0.01 3.45 3.86 -1.11 -2.71 115.15 119.88 1b3u h HIS 303 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1b3u h HIS 303 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1b3u h HIS 303 CO -0.01 0.06 -0.23 1.63 0.86 0.00 0.00 177.93 180.24 1b3u n LYS 304 N -4.45 0.71 -0.19 2.45 4.76 -0.81 -4.56 118.16 116.06 1b3u n LYS 304 Ca -0.03 -0.37 -0.08 0.00 -2.87 0.00 0.00 58.31 54.96 1b3u n LYS 304 Cb 0.14 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1b3u n LYS 304 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1b3u h VAL 305 N 0.91 0.10 -0.36 -0.18 2.07 -1.35 -0.56 116.25 116.87 1b3u h VAL 305 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1b3u h VAL 305 Cb 0.47 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1b3u h VAL 305 CO 0.00 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.10 1b3u h LYS 306 N -0.24 0.63 -0.68 1.57 3.64 -1.83 -2.55 116.57 117.10 1b3u h LYS 306 Ca 0.18 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1b3u h LYS 306 Cb 0.57 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1b3u h LYS 306 CO -0.67 0.73 0.41 0.93 -2.27 0.00 0.00 179.45 178.59 1b3u h GLU 307 N 0.45 0.93 -0.13 1.90 5.08 -1.78 -0.45 114.58 120.58 1b3u h GLU 307 Ca 0.10 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1b3u h GLU 307 Cb 0.44 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1b3u h GLU 307 CO 0.02 0.67 0.08 0.35 -1.00 0.00 0.00 179.01 179.12 1b3u h PHE 308 N 0.93 0.17 -0.41 4.33 3.57 -1.06 -2.42 116.94 122.05 1b3u h PHE 308 Ca 0.25 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1b3u h PHE 308 Cb -0.02 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1b3u h PHE 308 CO -0.01 0.14 -0.09 0.00 -2.23 0.00 0.00 178.31 176.12 1b3u h GLU 310 N 0.65 0.30 -0.31 0.00 4.81 -0.87 -2.83 114.58 116.33 1b3u h GLU 310 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1b3u h GLU 310 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1b3u h GLU 310 CO 0.03 0.37 0.00 0.09 -0.73 0.00 0.00 179.01 178.77 1b3u n ASN 311 N -4.33 2.49 -4.80 1.04 3.02 -0.93 -4.93 115.26 106.83 1b3u n ASN 311 Ca -0.00 -1.87 -0.34 0.00 -0.03 0.00 0.00 54.58 52.34 1b3u n ASN 311 Cb 0.22 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1b3u n ASN 311 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b3u s LEU 312 N -1.41 3.83 0.29 3.41 1.43 -1.07 -4.95 118.68 120.21 1b3u s LEU 312 Ca 0.34 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 1b3u s LEU 312 Cb 0.19 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 1b3u s LEU 312 CO 0.27 -0.83 1.53 -1.54 0.23 0.00 0.00 176.35 176.01 1b3u n SER 313 N -1.03 3.53 0.16 2.29 3.41 -1.26 -4.66 113.62 116.06 1b3u n SER 313 Ca 0.09 1.16 0.09 0.00 -0.26 0.00 0.00 58.87 59.95 1b3u n SER 313 Cb 0.52 -1.55 0.49 0.00 -0.26 0.00 0.00 64.21 63.42 1b3u n SER 313 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b3u n ALA 314 N 1.85 0.89 -0.05 7.33 0.00 -1.26 0.05 120.51 129.32 1b3u n ALA 314 Ca 0.08 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1b3u n ALA 314 Cb 0.36 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1b3u n ALA 314 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1b3u h ASP 315 N 0.00 0.31 0.00 0.00 3.58 -2.02 -3.37 116.42 114.91 1b3u h ASP 315 Ca 0.00 -0.37 -0.09 0.00 0.42 0.00 0.00 57.03 56.99 1b3u h ASP 315 Cb 0.22 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1b3u h ASP 315 CO 0.00 0.61 -1.61 0.00 -2.88 0.00 0.00 179.24 175.36 1b3u n ARG 317 N -2.14 0.00 -0.47 0.00 0.63 0.11 -0.20 116.66 114.59 1b3u n ARG 317 Ca -0.09 0.00 0.39 0.00 -0.92 0.00 0.00 57.85 57.22 1b3u n ARG 317 Cb 0.56 0.00 0.68 0.00 0.45 0.00 0.00 32.46 34.16 1b3u n ARG 317 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1b3u h GLU 318 N 0.00 0.08 0.58 -0.14 4.81 -1.86 -1.20 114.58 116.84 1b3u h GLU 318 Ca 0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1b3u h GLU 318 Cb 0.00 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1b3u h GLU 318 CO 0.00 0.05 -0.28 -0.91 -0.73 0.00 0.00 179.01 177.14 1b3u h ASN 319 N 0.08 -0.66 -0.17 1.04 2.35 -0.94 -1.36 115.58 115.91 1b3u h ASN 319 Ca 0.81 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 56.44 1b3u h ASN 319 Cb 2.70 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 41.23 1b3u h ASN 319 CO -0.30 -0.36 -0.17 -0.37 -1.65 0.00 0.00 177.43 174.58 1b3u h VAL 320 N -0.95 1.25 0.66 2.81 -1.51 -0.70 -1.42 116.25 116.39 1b3u h VAL 320 Ca -0.08 -1.15 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 1b3u h VAL 320 Cb 0.65 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1b3u h VAL 320 CO 0.13 0.38 -0.36 0.40 -1.23 0.00 0.00 177.57 176.89 1b3u h ILE 321 N 0.52 0.27 -0.47 7.19 2.04 -1.26 1.40 117.51 127.21 1b3u h ILE 321 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1b3u h ILE 321 Cb 0.59 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1b3u h ILE 321 CO 0.04 0.00 0.27 -0.03 0.00 0.00 0.00 178.15 178.43 1b3u h MET 322 N -0.94 0.53 0.06 2.37 4.05 -1.19 0.39 114.93 120.19 1b3u h MET 322 Ca -0.08 -0.03 -0.29 0.00 -0.28 0.00 0.00 59.70 59.02 1b3u h MET 322 Cb 0.74 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1b3u h MET 322 CO 0.11 0.35 -1.50 1.03 0.23 0.00 0.00 176.91 177.13 1b3u h SER 323 N 0.55 0.20 0.00 1.39 0.87 -1.19 -3.40 113.55 111.97 1b3u h SER 323 Ca 0.19 -0.30 -0.23 0.00 -1.23 0.00 0.00 61.79 60.22 1b3u h SER 323 Cb 0.03 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1b3u h SER 323 CO -0.09 1.25 -1.68 0.00 -0.53 0.00 0.00 176.83 175.78 1b3u n GLN 324 N -3.32 0.39 -0.07 2.24 1.13 0.48 -4.79 117.38 113.44 1b3u n GLN 324 Ca -0.14 0.17 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 1b3u n GLN 324 Cb 1.02 -1.17 -0.13 0.00 0.11 0.00 0.00 30.24 30.08 1b3u n GLN 324 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1b3u h ILE 325 N -0.68 1.78 -0.76 5.09 5.03 -0.82 -3.36 117.51 123.78 1b3u h ILE 325 Ca -0.35 -2.30 0.15 0.00 -0.12 0.00 0.00 64.86 62.24 1b3u h ILE 325 Cb 1.22 3.35 -0.14 0.00 -3.03 0.00 0.00 36.82 38.21 1b3u h ILE 325 CO -0.21 0.60 -0.20 0.25 -0.68 0.00 0.00 178.15 177.90 1b3u h LEU 326 N -0.97 -0.75 -0.86 1.44 5.85 -0.45 0.51 115.31 120.06 1b3u h LEU 326 Ca -0.00 0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1b3u h LEU 326 Cb 0.99 0.49 -0.07 0.00 0.37 0.00 0.00 40.66 42.43 1b3u h LEU 326 CO 0.00 -0.26 0.52 -0.65 -0.34 0.00 0.00 178.44 177.71 1b3u h PRO 327 N -0.01 0.87 -0.52 5.25 0.11 -1.79 -0.26 132.00 135.65 1b3u h PRO 327 Ca 0.36 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 1b3u h PRO 327 Cb 0.56 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1b3u h PRO 327 CO -0.79 0.58 -0.05 0.00 -0.21 0.00 0.00 178.00 177.53 1b3u h ILE 329 N 0.84 1.23 -0.87 0.00 2.04 0.02 -2.47 117.51 118.30 1b3u h ILE 329 Ca 0.15 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1b3u h ILE 329 Cb 0.56 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1b3u h ILE 329 CO 0.03 0.33 0.58 0.11 0.00 0.00 0.00 178.15 179.20 1b3u h LYS 330 N 0.72 1.15 -0.25 2.37 1.57 -0.77 -2.42 116.57 118.93 1b3u h LYS 330 Ca 0.15 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1b3u h LYS 330 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1b3u h LYS 330 CO 0.01 0.76 -0.41 0.93 -0.57 0.00 0.00 179.45 180.17 1b3u h GLU 331 N 1.18 0.61 0.00 3.15 5.08 -1.31 -2.92 114.58 120.37 1b3u h GLU 331 Ca 0.32 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1b3u h GLU 331 Cb -0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1b3u h GLU 331 CO -0.07 0.91 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.60 1b3u h LEU 332 N 0.50 0.00 -2.12 1.33 3.38 -1.02 -1.44 115.31 115.95 1b3u h LEU 332 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1b3u h LEU 332 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1b3u h LEU 332 CO 0.08 0.19 -0.01 0.58 0.09 0.00 0.00 178.44 179.37 1b3u h VAL 333 N 0.00 0.87 -0.69 1.22 2.07 -1.24 -0.80 116.25 117.68 1b3u h VAL 333 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1b3u h VAL 333 Cb 0.36 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1b3u h VAL 333 CO 0.02 0.01 0.00 -1.20 0.02 0.00 0.00 177.57 176.42 1b3u n SER 334 N -4.32 4.39 -4.67 0.57 7.64 -0.55 -4.93 113.62 111.74 1b3u n SER 334 Ca -0.03 -2.24 -0.40 0.00 1.01 0.00 0.00 58.87 57.21 1b3u n SER 334 Cb 0.10 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1b3u n SER 334 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1b3u n ASP 335 N 1.37 1.87 0.23 6.43 -0.08 -0.31 -4.89 116.55 121.18 1b3u n ASP 335 Ca 0.25 0.99 0.14 0.00 -1.51 0.00 0.00 54.79 54.67 1b3u n ASP 335 Cb 0.77 -1.46 0.41 0.00 2.34 0.00 0.00 41.12 43.18 1b3u n ASP 335 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b3u h ALA 336 N 1.46 1.00 -2.81 -1.67 0.00 -1.93 -3.45 119.26 111.85 1b3u h ALA 336 Ca -0.48 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 1b3u h ALA 336 Cb 1.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1b3u h ALA 336 CO 0.56 0.00 -0.17 1.21 0.00 0.00 0.00 179.25 180.85 1b3u s ASN 337 N -5.83 6.75 0.23 0.00 2.47 -1.26 -5.00 114.94 112.30 1b3u s ASN 337 Ca 0.05 0.89 -0.03 0.00 0.42 0.00 0.00 52.86 54.19 1b3u s ASN 337 Cb 0.07 -2.27 0.24 0.00 -1.45 0.00 0.00 41.25 37.84 1b3u s ASN 337 CO 0.60 0.17 1.65 1.56 -3.72 0.00 0.00 177.10 177.36 1b3u h GLN 338 N 5.69 0.71 -0.81 0.43 4.20 -2.00 -2.64 115.11 120.69 1b3u h GLN 338 Ca -0.46 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 57.93 1b3u h GLN 338 Cb 1.20 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1b3u h GLN 338 CO 0.69 0.87 0.34 0.45 -0.67 0.00 0.00 178.83 180.51 1b3u h HIS 339 N 0.62 1.22 0.44 2.96 3.86 -1.97 -0.53 115.15 121.75 1b3u h HIS 339 Ca 0.09 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1b3u h HIS 339 Cb 0.71 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1b3u h HIS 339 CO 0.03 0.91 -0.21 0.28 0.86 0.00 0.00 177.93 179.81 1b3u h VAL 340 N 1.18 0.57 -0.45 2.45 2.07 -1.82 -0.46 116.25 119.79 1b3u h VAL 340 Ca 0.27 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1b3u h VAL 340 Cb 0.19 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1b3u h VAL 340 CO -0.03 0.00 0.22 0.11 0.02 0.00 0.00 177.57 177.90 1b3u h LYS 341 N -0.59 0.62 -0.05 1.57 1.57 -1.34 -1.92 116.57 116.44 1b3u h LYS 341 Ca -0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1b3u h LYS 341 Cb 0.45 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1b3u h LYS 341 CO 0.10 0.48 -0.02 0.77 -0.57 0.00 0.00 179.45 180.20 1b3u h SER 342 N 0.63 0.10 -0.81 0.86 0.02 -0.89 -1.13 113.55 112.33 1b3u h SER 342 Ca 0.16 -0.41 0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1b3u h SER 342 Cb 0.06 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 1b3u h SER 342 CO -0.02 0.49 0.45 0.00 -1.14 0.00 0.00 176.83 176.61 1b3u h ALA 343 N 0.61 1.16 -0.26 3.77 0.00 -0.86 -2.11 119.26 121.57 1b3u h ALA 343 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1b3u h ALA 343 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1b3u h ALA 343 CO 0.01 0.05 -0.05 1.25 0.00 0.00 0.00 179.25 180.51 1b3u h LEU 344 N 0.74 0.49 -2.45 0.00 5.85 -1.25 -3.10 115.31 115.58 1b3u h LEU 344 Ca 0.40 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b3u h LEU 344 Cb 0.40 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1b3u h LEU 344 CO -0.26 0.72 -0.02 0.00 -0.34 0.00 0.00 178.44 178.54 1b3u h ALA 345 N 0.78 1.10 -0.00 1.25 0.00 -0.67 0.36 119.26 122.08 1b3u h ALA 345 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b3u h ALA 345 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b3u h ALA 345 CO 0.02 0.02 -0.06 -1.13 0.00 0.00 0.00 179.25 178.11 1b3u n SER 346 N -3.25 0.07 0.00 0.00 3.41 -0.84 -4.00 113.62 109.00 1b3u n SER 346 Ca -0.02 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1b3u n SER 346 Cb 0.15 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1b3u n SER 346 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1b3u n VAL 347 N -1.48 0.00 -0.36 -3.33 0.24 -0.86 -4.92 118.33 107.62 1b3u n VAL 347 Ca 0.07 0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.64 1b3u n VAL 347 Cb 0.33 -0.11 0.53 0.00 -1.47 0.00 0.00 33.84 33.12 1b3u n VAL 347 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1b3u h ILE 348 N 0.00 0.35 0.00 1.34 2.10 -1.13 0.14 117.51 120.31 1b3u h ILE 348 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1b3u h ILE 348 Cb 0.21 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.96 1b3u h ILE 348 CO 0.00 0.06 0.00 0.23 -1.08 0.00 0.00 178.15 177.36 1b3u n MET 349 N -4.78 0.01 0.01 2.19 2.81 -1.26 -2.72 117.12 113.38 1b3u n MET 349 Ca 0.30 0.03 0.05 0.00 -1.81 0.00 0.00 57.70 56.27 1b3u n MET 349 Cb 1.05 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 32.27 1b3u n MET 349 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b3u n GLY 350 N 1.32 -0.82 0.20 3.03 0.00 0.47 -1.97 105.19 107.43 1b3u n GLY 350 Ca 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1b3u n GLY 350 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b3u h LEU 351 N 0.00 0.00 -0.31 0.99 3.38 -1.67 -3.38 115.31 114.32 1b3u h LEU 351 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1b3u h LEU 351 Cb 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1b3u h LEU 351 CO 0.00 0.00 -0.45 0.28 0.09 0.00 0.00 178.44 178.36 1b3u h SER 352 N 0.00 -1.47 0.28 -0.43 0.02 -1.63 0.34 113.55 110.66 1b3u h SER 352 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1b3u h SER 352 Cb 0.96 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1b3u h SER 352 CO 0.00 -0.40 0.00 1.55 -1.14 0.00 0.00 176.83 176.84 1b3u h PRO 353 N -0.40 0.00 0.00 3.45 0.13 -1.81 -0.23 132.00 133.14 1b3u h PRO 353 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 1b3u h PRO 353 Cb 0.61 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1b3u h PRO 353 CO -0.52 0.00 -1.42 0.82 -0.23 0.00 0.00 178.00 176.65 1b3u h ILE 354 N 0.00 0.97 0.00 -3.56 2.04 -1.20 -3.36 117.51 112.39 1b3u h ILE 354 Ca 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1b3u h ILE 354 Cb 0.14 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1b3u h ILE 354 CO 0.00 0.55 -1.35 0.18 0.00 0.00 0.00 178.15 177.53 1b3u n LEU 355 N -3.09 0.49 0.00 1.44 4.77 -0.51 -4.86 117.00 115.24 1b3u n LEU 355 Ca -0.11 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1b3u n LEU 355 Cb 0.97 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1b3u n LEU 355 CO 0.45 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1b3u n GLY 356 N 1.31 -0.07 0.23 -0.72 0.00 -0.18 -4.31 105.19 101.45 1b3u n GLY 356 Ca -0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1b3u n GLY 356 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b3u h LYS 357 N 0.00 -0.36 -0.47 1.61 3.64 -1.84 -1.49 116.57 117.66 1b3u h LYS 357 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1b3u h LYS 357 Cb 0.00 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1b3u h LYS 357 CO 0.00 -0.24 0.22 -0.44 -2.27 0.00 0.00 179.45 176.72 1b3u h ASP 358 N -0.38 0.30 -0.12 4.20 3.32 -1.96 -1.89 116.42 119.90 1b3u h ASP 358 Ca 0.02 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1b3u h ASP 358 Cb 0.39 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1b3u h ASP 358 CO -0.10 0.21 -0.47 0.78 -1.72 0.00 0.00 179.24 177.94 1b3u h ASN 359 N 0.44 0.74 0.31 6.45 2.35 -1.74 -1.44 115.58 122.69 1b3u h ASN 359 Ca 0.21 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1b3u h ASN 359 Cb 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1b3u h ASN 359 CO -0.17 1.10 -0.28 0.74 -1.65 0.00 0.00 177.43 177.17 1b3u h THR 360 N 0.54 0.41 -0.72 2.81 2.02 -0.98 0.79 112.91 117.78 1b3u h THR 360 Ca 0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1b3u h THR 360 Cb 1.02 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1b3u h THR 360 CO 0.10 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.82 1b3u h ILE 361 N -0.61 1.02 0.36 3.11 2.04 -1.35 0.80 117.51 122.88 1b3u h ILE 361 Ca -0.02 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1b3u h ILE 361 Cb 0.55 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1b3u h ILE 361 CO -0.04 0.15 -0.17 -0.08 0.00 0.00 0.00 178.15 178.00 1b3u h GLU 362 N 0.81 -0.46 0.00 2.37 4.22 -0.79 -3.38 114.58 117.35 1b3u h GLU 362 Ca 0.31 0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.71 1b3u h GLU 362 Cb 0.13 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1b3u h GLU 362 CO -0.16 -0.14 -1.81 0.72 -2.18 0.00 0.00 179.01 175.44 1b3u n HIS 363 N -5.12 0.00 -0.07 0.92 8.25 0.27 -4.70 115.22 114.76 1b3u n HIS 363 Ca -0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 1b3u n HIS 363 Cb 0.27 -0.47 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 1b3u n HIS 363 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b3u n LEU 364 N -2.19 2.13 -0.30 2.41 4.77 0.14 -4.26 117.00 119.70 1b3u n LEU 364 Ca -0.09 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1b3u n LEU 364 Cb 0.57 -1.00 0.28 0.00 -2.33 0.00 0.00 43.42 40.94 1b3u n LEU 364 CO 0.33 0.49 0.94 -0.07 -1.33 0.00 0.00 177.39 177.75 1b3u h LEU 365 N -0.65 -0.01 -1.11 2.23 4.07 -1.35 0.27 115.31 118.76 1b3u h LEU 365 Ca -0.40 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1b3u h LEU 365 Cb 1.57 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.53 1b3u h LEU 365 CO -0.13 -0.15 0.47 -0.65 -1.08 0.00 0.00 178.44 176.90 1b3u h PRO 366 N 0.21 1.08 -0.27 1.13 0.11 -1.82 0.10 132.00 132.54 1b3u h PRO 366 Ca 0.54 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 66.36 1b3u h PRO 366 Cb 1.08 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1b3u h PRO 366 CO -0.65 0.76 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.25 1b3u h LEU 367 N 1.09 0.98 -0.38 2.35 3.38 -1.03 -2.37 115.31 119.34 1b3u h LEU 367 Ca 0.28 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1b3u h LEU 367 Cb -0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 1b3u h LEU 367 CO -0.05 1.35 -0.03 0.15 0.09 0.00 0.00 178.44 179.95 1b3u h PHE 368 N 0.66 -0.07 -0.41 1.13 3.57 0.21 -1.64 116.94 120.39 1b3u h PHE 368 Ca 0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1b3u h PHE 368 Cb 1.19 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1b3u h PHE 368 CO 0.08 -0.10 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.80 1b3u h LEU 369 N 0.07 0.79 -0.22 0.59 3.38 -0.76 -1.91 115.31 117.25 1b3u h LEU 369 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1b3u h LEU 369 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1b3u h LEU 369 CO -0.33 0.97 0.15 0.00 0.09 0.00 0.00 178.44 179.31 1b3u h ALA 370 N 1.10 0.28 -0.30 1.53 0.00 -0.86 -2.07 119.26 118.93 1b3u h ALA 370 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1b3u h ALA 370 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1b3u h ALA 370 CO 0.05 -0.24 -0.28 1.96 0.00 0.00 0.00 179.25 180.74 1b3u h GLN 371 N 0.30 0.61 0.00 0.00 4.20 -1.24 -2.59 115.11 116.39 1b3u h GLN 371 Ca 0.08 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1b3u h GLN 371 Cb -0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1b3u h GLN 371 CO -0.02 0.83 -0.11 1.25 -0.67 0.00 0.00 178.83 180.11 1b3u h LEU 372 N 0.53 0.00 -2.18 1.46 5.85 -1.04 -1.88 115.31 118.05 1b3u h LEU 372 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1b3u h LEU 372 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1b3u h LEU 372 CO 0.06 0.11 0.00 0.29 -0.34 0.00 0.00 178.44 178.56 1b3u n LYS 373 N -3.77 2.37 -0.93 1.25 5.02 -0.81 -4.76 118.16 116.53 1b3u n LYS 373 Ca -0.02 -2.13 -0.31 0.00 -2.02 0.00 0.00 58.31 53.83 1b3u n LYS 373 Cb 0.21 -1.46 0.14 0.00 -0.02 0.00 0.00 35.03 33.89 1b3u n LYS 373 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b3u s ASP 374 N -1.04 3.58 0.16 4.39 2.15 -0.71 -4.95 116.67 120.25 1b3u s ASP 374 Ca 0.40 2.04 0.03 0.00 0.43 0.00 0.00 52.55 55.45 1b3u s ASP 374 Cb 0.21 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1b3u s ASP 374 CO 0.27 -2.66 1.36 -0.33 -0.17 0.00 0.00 175.17 173.64 1b3u h GLU 375 N -1.56 0.16 -6.25 4.34 4.39 -1.94 -3.44 114.58 110.27 1b3u h GLU 375 Ca -0.43 -0.18 -0.57 0.00 0.34 0.00 0.00 59.36 58.52 1b3u h GLU 375 Cb 1.25 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1b3u h GLU 375 CO 0.46 0.95 0.97 0.00 -1.16 0.00 0.00 179.01 180.23 1b3u h PRO 377 N 9.04 0.65 -0.65 0.00 0.11 -2.01 -1.74 132.00 137.40 1b3u h PRO 377 Ca -0.28 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1b3u h PRO 377 Cb 1.11 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1b3u h PRO 377 CO 1.00 0.43 0.17 1.49 -0.21 0.00 0.00 178.00 180.87 1b3u h GLU 378 N 0.66 1.03 0.64 1.05 4.81 -1.98 -1.22 114.58 119.58 1b3u h GLU 378 Ca 0.34 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1b3u h GLU 378 Cb 0.43 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1b3u h GLU 378 CO -0.12 0.92 -0.32 0.28 -0.73 0.00 0.00 179.01 179.05 1b3u h VAL 379 N 0.96 0.35 -0.29 0.32 2.07 -1.68 -1.81 116.25 116.18 1b3u h VAL 379 Ca 0.21 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 1b3u h VAL 379 Cb 0.35 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1b3u h VAL 379 CO -0.00 0.00 -0.08 0.08 0.02 0.00 0.00 177.57 177.59 1b3u h ARG 380 N -0.88 0.46 -0.82 1.57 0.11 -1.49 -2.45 114.38 110.89 1b3u h ARG 380 Ca -0.09 -0.11 -0.04 0.00 0.10 0.00 0.00 59.98 59.84 1b3u h ARG 380 Cb 0.68 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 31.66 1b3u h ARG 380 CO 0.14 0.55 0.36 1.25 0.10 0.00 0.00 179.97 182.37 1b3u h LEU 381 N 0.44 1.10 -1.25 0.08 5.85 -1.12 -1.30 115.31 119.11 1b3u h LEU 381 Ca 0.09 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1b3u h LEU 381 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1b3u h LEU 381 CO 0.02 0.95 0.05 0.78 -0.34 0.00 0.00 178.44 179.90 1b3u h ASN 382 N 1.18 0.53 0.15 1.25 2.35 -0.85 -0.53 115.58 119.65 1b3u h ASN 382 Ca 0.28 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1b3u h ASN 382 Cb 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1b3u h ASN 382 CO -0.03 0.56 -0.07 0.40 -1.65 0.00 0.00 177.43 176.64 1b3u h ILE 383 N 0.55 0.99 -0.87 2.81 1.08 -1.20 -3.19 117.51 117.67 1b3u h ILE 383 Ca 0.12 -0.74 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1b3u h ILE 383 Cb 0.28 1.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.39 1b3u h ILE 383 CO 0.00 0.17 0.51 0.40 -0.69 0.00 0.00 178.15 178.54 1b3u h ILE 384 N -0.56 0.89 0.00 -0.67 1.08 -1.00 -1.82 117.51 115.44 1b3u h ILE 384 Ca -0.02 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1b3u h ILE 384 Cb 0.43 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1b3u h ILE 384 CO 0.03 0.15 0.00 -1.20 -0.69 0.00 0.00 178.15 176.44 1b3u n SER 385 N -4.72 0.00 -2.58 1.72 7.64 -0.23 -3.66 113.62 111.79 1b3u n SER 385 Ca 0.15 -0.34 -0.14 0.00 1.01 0.00 0.00 58.87 59.56 1b3u n SER 385 Cb 0.31 -0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1b3u n SER 385 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1b3u n ASN 386 N -1.10 2.71 0.19 6.43 3.02 -0.68 -4.85 115.26 120.98 1b3u n ASN 386 Ca 0.11 -2.96 0.09 0.00 -0.03 0.00 0.00 54.58 51.80 1b3u n ASN 386 Cb 0.08 -0.48 0.12 0.00 -0.61 0.00 0.00 39.78 38.89 1b3u n ASN 386 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1b3u h LEU 387 N 2.72 0.00 -0.57 3.41 3.38 -1.68 -3.38 115.31 119.19 1b3u h LEU 387 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1b3u h LEU 387 Cb 1.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1b3u h LEU 387 CO 0.56 0.15 -0.54 0.44 0.09 0.00 0.00 178.44 179.14 1b3u h ASP 388 N 0.00 -1.87 -0.86 -0.43 3.32 -1.90 -1.61 116.42 113.07 1b3u h ASP 388 Ca -0.00 0.26 0.15 0.00 0.02 0.00 0.00 57.03 57.45 1b3u h ASP 388 Cb 1.12 0.79 -0.09 0.00 0.22 0.00 0.00 39.33 41.36 1b3u h ASP 388 CO 0.02 -0.33 0.45 0.00 -1.72 0.00 0.00 179.24 177.66 1b3u h VAL 390 N 0.63 1.40 -0.70 0.00 2.07 -1.71 -3.11 116.25 114.83 1b3u h VAL 390 Ca 0.47 -1.53 0.11 0.00 0.82 0.00 0.00 66.70 66.57 1b3u h VAL 390 Cb 0.66 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 1b3u h VAL 390 CO -0.36 0.44 0.30 -1.13 0.02 0.00 0.00 177.57 176.84 1b3u h ASN 391 N -0.12 0.34 0.13 0.57 -0.00 -0.76 0.82 115.58 116.56 1b3u h ASN 391 Ca -0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 56.34 1b3u h ASN 391 Cb 0.82 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.18 1b3u h ASN 391 CO 0.05 0.17 -0.16 -0.33 -0.00 0.00 0.00 177.43 177.16 1b3u h GLU 392 N 0.50 0.08 0.00 6.67 5.08 -1.31 -3.30 114.58 122.30 1b3u h GLU 392 Ca 0.36 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1b3u h GLU 392 Cb 0.47 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1b3u h GLU 392 CO -0.33 0.25 -0.27 0.28 -1.00 0.00 0.00 179.01 177.94 1b3u h VAL 393 N 0.08 0.80 -1.41 3.13 2.07 -0.92 -3.47 116.25 116.53 1b3u h VAL 393 Ca 0.02 -1.68 -0.43 0.00 0.82 0.00 0.00 66.70 65.43 1b3u h VAL 393 Cb 0.34 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1b3u h VAL 393 CO 0.02 0.27 -0.26 0.27 0.02 0.00 0.00 177.57 177.89 1b3u s ILE 394 N -2.02 2.93 0.86 4.57 -4.36 0.08 -4.70 121.20 118.56 1b3u s ILE 394 Ca -0.13 -1.02 -0.12 0.00 -0.26 0.00 0.00 60.65 59.11 1b3u s ILE 394 Cb 0.00 -2.96 0.11 0.00 1.25 0.00 0.00 42.46 40.86 1b3u s ILE 394 CO 0.37 0.00 1.15 -0.83 0.24 0.00 0.00 174.94 175.87 1b3u s GLY 395 N -4.35 1.59 0.30 6.27 0.00 -1.26 -4.50 107.32 105.37 1b3u s GLY 395 Ca 0.55 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.79 1b3u s GLY 395 CO 0.33 -0.02 1.73 1.19 0.00 0.00 0.00 173.10 176.33 1b3u h ILE 396 N -1.28 1.28 -0.28 0.90 6.09 -1.96 -0.97 117.51 121.29 1b3u h ILE 396 Ca -0.48 -1.35 -0.12 0.00 -1.37 0.00 0.00 64.86 61.53 1b3u h ILE 396 Cb 1.32 1.52 -0.00 0.00 0.47 0.00 0.00 36.82 40.13 1b3u h ILE 396 CO 0.63 0.41 -0.30 0.08 -3.07 0.00 0.00 178.15 175.90 1b3u h ARG 397 N 0.28 0.70 -0.53 2.19 0.11 -1.97 -0.38 114.38 114.78 1b3u h ARG 397 Ca 0.04 -0.38 -0.09 0.00 0.10 0.00 0.00 59.98 59.64 1b3u h ARG 397 Cb 0.72 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 1b3u h ARG 397 CO 0.05 0.99 -0.04 1.96 0.10 0.00 0.00 179.97 183.04 1b3u h GLN 398 N 0.44 0.94 -0.17 0.08 1.08 -1.89 -0.96 115.11 114.63 1b3u h GLN 398 Ca 0.04 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 1b3u h GLN 398 Cb 0.88 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1b3u h GLN 398 CO 0.07 0.95 -0.07 1.25 -0.95 0.00 0.00 178.83 180.09 1b3u h LEU 399 N 0.85 0.35 -0.61 1.46 5.85 -1.11 -2.98 115.31 119.13 1b3u h LEU 399 Ca 0.15 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1b3u h LEU 399 Cb 0.56 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1b3u h LEU 399 CO 0.03 0.67 0.33 -1.28 -0.34 0.00 0.00 178.44 177.85 1b3u h SER 400 N 0.03 0.77 -0.38 1.25 0.87 -0.99 0.37 113.55 115.46 1b3u h SER 400 Ca 0.04 -0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.61 1b3u h SER 400 Cb 0.53 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1b3u h SER 400 CO 0.02 0.65 0.31 -0.61 -0.53 0.00 0.00 176.83 176.67 1b3u h GLN 401 N 0.82 0.00 0.06 2.24 4.15 -1.14 0.13 115.11 121.39 1b3u h GLN 401 Ca 0.21 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.27 1b3u h GLN 401 Cb 0.06 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1b3u h GLN 401 CO -0.03 0.00 -2.05 0.45 -1.93 0.00 0.00 178.83 175.26 1b3u n SER 402 N -4.15 2.03 0.01 -0.69 2.88 -0.72 -4.61 113.62 108.37 1b3u n SER 402 Ca 0.06 0.17 -0.18 0.00 -1.33 0.00 0.00 58.87 57.59 1b3u n SER 402 Cb 0.49 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 63.08 1b3u n SER 402 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1b3u h LEU 403 N -0.21 0.55 -0.52 2.46 5.85 0.18 -3.38 115.31 120.24 1b3u h LEU 403 Ca -0.48 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 57.58 1b3u h LEU 403 Cb 1.85 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 42.61 1b3u h LEU 403 CO -0.05 1.24 -0.15 0.25 -0.34 0.00 0.00 178.44 179.39 1b3u h LEU 404 N -0.09 -0.54 -1.26 2.25 5.85 -0.96 -1.97 115.31 118.60 1b3u h LEU 404 Ca -0.08 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1b3u h LEU 404 Cb 1.34 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.65 1b3u h LEU 404 CO 0.12 -0.19 0.55 -0.65 -0.34 0.00 0.00 178.44 177.94 1b3u h PRO 405 N -0.02 0.80 -0.20 5.25 0.11 -1.78 0.11 132.00 136.26 1b3u h PRO 405 Ca 0.25 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.12 1b3u h PRO 405 Cb 0.40 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1b3u h PRO 405 CO -0.54 0.53 -0.64 0.00 -0.21 0.00 0.00 178.00 177.14 1b3u h ALA 406 N 1.57 0.48 -0.23 -0.75 0.00 -1.57 -2.31 119.26 116.45 1b3u h ALA 406 Ca 0.39 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1b3u h ALA 406 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b3u h ALA 406 CO -0.16 0.69 0.07 0.82 0.00 0.00 0.00 179.25 180.68 1b3u h ILE 407 N 0.54 1.19 -0.18 0.00 2.04 -0.68 -1.43 117.51 118.99 1b3u h ILE 407 Ca -0.01 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1b3u h ILE 407 Cb 1.24 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 1b3u h ILE 407 CO 0.13 0.19 -0.46 0.58 0.00 0.00 0.00 178.15 178.60 1b3u h VAL 408 N 0.20 0.10 -0.80 1.67 2.07 -0.76 0.44 116.25 119.16 1b3u h VAL 408 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 1b3u h VAL 408 Cb 0.23 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.00 1b3u h VAL 408 CO -0.00 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.88 1b3u h GLU 409 N -0.49 0.52 -0.11 1.57 4.81 -1.23 -0.85 114.58 118.80 1b3u h GLU 409 Ca 0.07 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 1b3u h GLU 409 Cb 0.64 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1b3u h GLU 409 CO -0.44 0.34 -0.66 -0.07 -0.73 0.00 0.00 179.01 177.45 1b3u h LEU 410 N 0.54 0.52 -2.74 1.64 3.38 -0.13 -3.06 115.31 115.45 1b3u h LEU 410 Ca 0.44 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1b3u h LEU 410 Cb 0.65 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1b3u h LEU 410 CO -0.38 1.04 -0.00 0.00 0.09 0.00 0.00 178.44 179.18 1b3u h ALA 411 N 0.96 1.06 -0.12 1.53 0.00 0.13 -2.20 119.26 120.62 1b3u h ALA 411 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1b3u h ALA 411 Cb 1.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1b3u h ALA 411 CO 0.12 0.01 -0.25 -0.85 0.00 0.00 0.00 179.25 178.28 1b3u n GLU 412 N -3.18 1.71 -1.34 0.00 0.28 -1.01 -4.79 120.64 112.30 1b3u n GLU 412 Ca -0.03 -3.10 -0.35 0.00 -0.16 0.00 0.00 57.16 53.53 1b3u n GLU 412 Cb 0.10 -1.67 0.10 0.00 1.43 0.00 0.00 31.44 31.41 1b3u n GLU 412 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b3u n ASP 413 N -1.13 1.20 0.21 -1.84 -0.08 -0.83 -4.91 116.55 109.18 1b3u n ASP 413 Ca 0.23 0.67 0.09 0.00 -1.51 0.00 0.00 54.79 54.27 1b3u n ASP 413 Cb 0.79 -1.50 0.43 0.00 2.34 0.00 0.00 41.12 43.18 1b3u n ASP 413 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b3u h ALA 414 N -0.35 1.03 -2.73 -1.67 0.00 -1.92 -3.43 119.26 110.19 1b3u h ALA 414 Ca -0.48 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 53.61 1b3u h ALA 414 Cb 1.32 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1b3u h ALA 414 CO 0.48 0.33 0.01 0.15 0.00 0.00 0.00 179.25 180.23 1b3u s LYS 415 N -3.66 4.31 0.47 0.00 1.02 -1.26 -4.96 119.74 115.65 1b3u s LYS 415 Ca 0.00 0.61 0.25 0.00 0.02 0.00 0.00 55.97 56.85 1b3u s LYS 415 Cb 0.11 -3.50 1.13 0.00 -0.52 0.00 0.00 37.83 35.05 1b3u s LYS 415 CO 0.65 -0.03 1.93 0.11 -0.92 0.00 0.00 175.35 177.09 1b3u h TRP 416 N 7.06 0.00 -0.93 3.18 5.08 -2.00 -2.48 115.95 125.86 1b3u h TRP 416 Ca -0.37 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.61 1b3u h TRP 416 Cb 1.17 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.28 1b3u h TRP 416 CO 0.67 0.20 0.62 0.00 -1.28 0.00 0.00 178.44 178.64 1b3u h ARG 417 N 0.00 1.21 0.12 0.12 3.08 -1.97 -0.88 114.38 116.06 1b3u h ARG 417 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1b3u h ARG 417 Cb 0.57 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1b3u h ARG 417 CO 0.03 0.80 -0.06 0.28 -1.07 0.00 0.00 179.97 179.95 1b3u h VAL 418 N 1.24 1.03 -0.96 2.04 2.07 -1.84 -2.68 116.25 117.15 1b3u h VAL 418 Ca 0.35 -1.22 0.16 0.00 0.82 0.00 0.00 66.70 66.81 1b3u h VAL 418 Cb -0.12 1.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 1b3u h VAL 418 CO -0.08 0.26 0.57 0.03 0.02 0.00 0.00 177.57 178.37 1b3u h ARG 419 N -0.79 0.76 -0.54 1.57 3.08 -1.40 -0.23 114.38 116.82 1b3u h ARG 419 Ca -0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1b3u h ARG 419 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1b3u h ARG 419 CO 0.03 0.50 0.19 1.25 -1.07 0.00 0.00 179.97 180.86 1b3u h LEU 420 N 0.78 0.78 -0.93 3.04 5.85 -1.19 -2.80 115.31 120.83 1b3u h LEU 420 Ca 0.53 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1b3u h LEU 420 Cb 0.75 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1b3u h LEU 420 CO -0.35 0.77 0.59 0.00 -0.34 0.00 0.00 178.44 179.11 1b3u h ALA 421 N 1.04 1.29 -0.85 1.25 0.00 -0.70 -1.98 119.26 119.33 1b3u h ALA 421 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1b3u h ALA 421 Cb 0.25 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1b3u h ALA 421 CO -0.01 0.36 0.40 0.82 0.00 0.00 0.00 179.25 180.83 1b3u h ILE 422 N 1.08 1.26 -0.58 0.00 1.08 -1.17 -1.44 117.51 117.74 1b3u h ILE 422 Ca 0.41 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1b3u h ILE 422 Cb 0.17 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1b3u h ILE 422 CO -0.17 0.31 0.38 0.40 -0.69 0.00 0.00 178.15 178.38 1b3u h ILE 423 N 1.20 1.15 0.00 -0.67 2.04 -1.15 -0.61 117.51 119.48 1b3u h ILE 423 Ca 0.29 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1b3u h ILE 423 Cb 0.12 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1b3u h ILE 423 CO -0.04 0.14 -0.13 -0.33 0.00 0.00 0.00 178.15 177.80 1b3u h GLU 424 N 0.78 0.00 0.00 2.37 4.39 -0.82 -2.85 114.58 118.44 1b3u h GLU 424 Ca 0.21 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 1b3u h GLU 424 Cb -0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1b3u h GLU 424 CO -0.05 0.13 -0.39 1.88 -1.16 0.00 0.00 179.01 179.43 1b3u h TYR 425 N 0.00 0.00 -0.65 4.33 0.05 -0.74 -3.36 116.97 116.60 1b3u h TYR 425 Ca -0.00 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 1b3u h TYR 425 Cb 0.51 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.13 1b3u h TYR 425 CO 0.00 0.39 -0.30 0.52 -1.05 0.00 0.00 178.16 177.72 1b3u h MET 426 N 0.00 -0.11 -0.05 4.88 2.86 -1.45 0.16 114.93 121.22 1b3u h MET 426 Ca -0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1b3u h MET 426 Cb 1.07 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1b3u h MET 426 CO 0.05 -0.07 -0.05 -1.00 1.06 0.00 0.00 176.91 176.90 1b3u h PRO 427 N -0.11 0.07 -0.12 -0.22 0.13 -1.79 0.18 132.00 130.13 1b3u h PRO 427 Ca 0.27 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.22 1b3u h PRO 427 Cb 0.55 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1b3u h PRO 427 CO -0.72 0.12 -0.66 -0.07 -0.23 0.00 0.00 178.00 176.45 1b3u h LEU 428 N 0.07 0.55 -0.22 1.56 3.38 -1.03 -1.04 115.31 118.58 1b3u h LEU 428 Ca 0.02 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1b3u h LEU 428 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1b3u h LEU 428 CO 0.01 1.06 -0.12 -0.07 0.09 0.00 0.00 178.44 179.40 1b3u h LEU 429 N 0.34 0.49 -0.42 1.67 3.38 0.27 -1.59 115.31 119.45 1b3u h LEU 429 Ca -0.02 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1b3u h LEU 429 Cb 1.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1b3u h LEU 429 CO 0.12 0.80 0.08 0.00 0.09 0.00 0.00 178.44 179.54 1b3u h ALA 430 N 0.70 0.56 -0.28 1.53 0.00 -0.71 0.96 119.26 122.02 1b3u h ALA 430 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1b3u h ALA 430 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1b3u h ALA 430 CO 0.04 0.26 -0.03 0.78 0.00 0.00 0.00 179.25 180.30 1b3u h GLY 431 N 0.55 0.46 0.13 0.00 0.00 -1.16 -0.84 103.07 102.21 1b3u h GLY 431 Ca 0.13 -0.27 -0.27 0.00 0.00 0.00 0.00 47.33 46.92 1b3u h GLY 431 CO 0.01 0.25 -1.46 -1.06 0.00 0.00 0.00 176.54 174.28 1b3u n GLN 432 N -4.29 0.61 0.00 4.80 6.02 -0.60 -4.57 117.38 119.34 1b3u n GLN 432 Ca 0.01 0.50 0.11 0.00 -0.01 0.00 0.00 57.00 57.61 1b3u n GLN 432 Cb 0.24 -1.73 0.07 0.00 1.02 0.00 0.00 30.24 29.84 1b3u n GLN 432 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1b3u n LEU 433 N -4.23 1.34 0.00 1.08 4.77 0.32 -4.88 117.00 115.39 1b3u n LEU 433 Ca -0.33 -0.49 0.10 0.00 -0.03 0.00 0.00 56.01 55.26 1b3u n LEU 433 Cb 0.76 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1b3u n LEU 433 CO 0.23 0.27 -0.13 0.61 -1.33 0.00 0.00 177.39 177.05 1b3u n GLY 434 N 1.44 -1.65 0.35 -0.72 0.00 -0.32 -3.97 105.19 100.32 1b3u n GLY 434 Ca 0.08 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 45.05 1b3u n GLY 434 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b3u h VAL 435 N -0.65 0.90 0.00 1.61 3.04 -1.95 -1.74 116.25 117.46 1b3u h VAL 435 Ca 0.01 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1b3u h VAL 435 Cb 0.64 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1b3u h VAL 435 CO 0.00 0.07 0.00 1.05 -1.01 0.00 0.00 177.57 177.69 1b3u h GLU 436 N 0.41 0.00 0.00 4.17 9.09 -1.99 -2.54 114.58 123.72 1b3u h GLU 436 Ca 0.27 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.47 1b3u h GLU 436 Cb 0.53 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.60 1b3u h GLU 436 CO -0.07 0.00 -1.04 0.35 0.05 0.00 0.00 179.01 178.29 1b3u h PHE 437 N 0.00 0.02 -0.68 2.06 3.57 -1.44 -3.40 116.94 117.07 1b3u h PHE 437 Ca 0.00 -0.01 -0.70 0.00 3.53 0.00 0.00 57.97 60.79 1b3u h PHE 437 Cb 0.13 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1b3u h PHE 437 CO 0.00 1.01 2.46 1.19 -2.23 0.00 0.00 178.31 180.74 1b3u n PHE 438 N -3.34 4.23 -2.21 0.41 3.01 -0.96 -4.83 117.46 113.77 1b3u n PHE 438 Ca -0.01 -2.92 -0.19 0.00 1.01 0.00 0.00 57.45 55.33 1b3u n PHE 438 Cb 0.95 -2.55 0.12 0.00 -0.01 0.00 0.00 39.48 37.98 1b3u n PHE 438 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1b3u n ASP 439 N 7.23 0.67 -0.13 4.37 5.75 -1.26 -4.75 116.55 128.42 1b3u n ASP 439 Ca 0.49 -1.68 -0.13 0.00 -0.01 0.00 0.00 54.79 53.46 1b3u n ASP 439 Cb 0.43 -0.60 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 1b3u n ASP 439 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1b3u h GLU 440 N 0.00 -0.36 0.00 0.11 3.07 -1.93 0.14 114.58 115.61 1b3u h GLU 440 Ca -0.28 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.64 1b3u h GLU 440 Cb 0.92 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.86 1b3u h GLU 440 CO 0.26 -0.24 -0.40 -0.22 -1.40 0.00 0.00 179.01 177.01 1b3u h LYS 441 N -0.37 -0.53 -0.72 2.33 1.63 -1.97 -0.82 116.57 116.11 1b3u h LYS 441 Ca 0.07 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.01 1b3u h LYS 441 Cb 0.56 0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 32.24 1b3u h LYS 441 CO -0.57 -0.36 0.36 1.25 -3.45 0.00 0.00 179.45 176.68 1b3u h LEU 442 N -0.56 0.45 -0.97 5.20 5.85 -1.79 -2.13 115.31 121.37 1b3u h LEU 442 Ca 0.05 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1b3u h LEU 442 Cb 0.64 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1b3u h LEU 442 CO -0.31 0.25 0.04 0.78 -0.34 0.00 0.00 178.44 178.87 1b3u h ASN 443 N 0.59 0.75 -0.86 1.25 2.35 -0.31 -2.64 115.58 116.70 1b3u h ASN 443 Ca 0.36 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1b3u h ASN 443 Cb 0.41 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1b3u h ASN 443 CO -0.28 0.79 0.45 0.77 -1.65 0.00 0.00 177.43 177.50 1b3u h SER 444 N 0.75 1.10 -0.07 5.81 4.64 -0.51 -2.17 113.55 123.10 1b3u h SER 444 Ca 0.15 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1b3u h SER 444 Cb 0.39 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1b3u h SER 444 CO 0.01 0.90 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.77 1b3u h LEU 445 N 1.22 -0.11 -1.91 5.97 4.07 -1.14 0.49 115.31 123.90 1b3u h LEU 445 Ca 0.30 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1b3u h LEU 445 Cb 0.07 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1b3u h LEU 445 CO -0.04 -0.05 0.07 0.00 -1.08 0.00 0.00 178.44 177.33 1b3u h MET 447 N 0.13 0.52 -0.55 0.00 2.86 -0.75 -3.35 114.93 113.78 1b3u h MET 447 Ca 0.04 -0.88 0.07 0.00 -2.06 0.00 0.00 59.70 56.86 1b3u h MET 447 Cb -0.01 0.33 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1b3u h MET 447 CO -0.01 1.42 0.37 0.00 1.06 0.00 0.00 176.91 179.75 1b3u h ALA 448 N 0.14 1.90 -0.21 6.32 0.00 -0.61 -2.01 119.26 124.79 1b3u h ALA 448 Ca -0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1b3u h ALA 448 Cb 2.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1b3u h ALA 448 CO 0.26 -0.00 0.16 -1.49 0.00 0.00 0.00 179.25 178.18 1b3u h TRP 449 N 0.48 0.00 0.00 0.00 6.55 -1.67 -2.20 115.95 119.11 1b3u h TRP 449 Ca 0.24 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1b3u h TRP 449 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1b3u h TRP 449 CO -0.00 0.00 0.05 -0.07 -1.05 0.00 0.00 178.44 177.37 1b3u h LEU 450 N 0.00 0.00 -2.93 -4.49 3.38 -1.57 0.75 115.31 110.45 1b3u h LEU 450 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1b3u h LEU 450 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1b3u h LEU 450 CO -0.00 0.00 0.00 0.55 0.09 0.00 0.00 178.44 179.08 1b3u n VAL 451 N -2.44 1.24 -2.01 1.22 3.14 -0.82 -4.89 118.33 113.77 1b3u n VAL 451 Ca -0.02 -1.12 -0.36 0.00 -2.96 0.00 0.00 64.34 59.88 1b3u n VAL 451 Cb 0.09 0.37 0.03 0.00 -1.06 0.00 0.00 33.84 33.28 1b3u n VAL 451 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1b3u s ASP 452 N -1.10 5.26 0.16 6.55 -1.08 0.26 -4.93 116.67 121.79 1b3u s ASP 452 Ca 0.33 2.42 0.26 0.00 -0.52 0.00 0.00 52.55 55.05 1b3u s ASP 452 Cb 0.19 -2.60 0.82 0.00 -1.46 0.00 0.00 42.92 39.87 1b3u s ASP 452 CO 0.19 -1.55 1.74 0.00 0.52 0.00 0.00 175.17 176.08 1b3u n HIS 453 N -1.45 0.73 -3.17 -5.34 1.44 -1.26 -4.74 115.22 101.43 1b3u n HIS 453 Ca 0.13 0.21 -0.40 0.00 -2.01 0.00 0.00 57.72 55.65 1b3u n HIS 453 Cb 0.49 -0.83 -0.06 0.00 0.12 0.00 0.00 29.99 29.71 1b3u n HIS 453 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1b3u s VAL 454 N -3.09 5.06 0.21 0.61 1.01 -1.26 -4.97 120.40 117.97 1b3u s VAL 454 Ca 0.11 1.09 -0.10 0.00 0.00 0.00 0.00 61.98 63.08 1b3u s VAL 454 Cb 0.14 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.77 1b3u s VAL 454 CO 0.60 0.14 1.73 0.22 0.00 0.00 0.00 175.10 177.79 1b3u h TYR 455 N 7.47 0.31 -0.63 5.22 5.03 -2.01 -2.00 116.97 130.36 1b3u h TYR 455 Ca -0.32 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.11 1b3u h TYR 455 Cb 1.15 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.34 1b3u h TYR 455 CO 0.71 0.04 0.42 0.00 -1.32 0.00 0.00 178.16 178.01 1b3u h ALA 456 N 1.44 1.92 -0.11 1.82 0.00 -1.98 -0.07 119.26 122.28 1b3u h ALA 456 Ca 0.31 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1b3u h ALA 456 Cb 0.42 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1b3u h ALA 456 CO -0.35 -0.04 -0.51 0.82 0.00 0.00 0.00 179.25 179.17 1b3u h ILE 457 N 0.51 1.36 -0.52 0.00 2.04 -1.75 -1.81 117.51 117.34 1b3u h ILE 457 Ca 0.29 -1.82 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 1b3u h ILE 457 Cb 0.45 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1b3u h ILE 457 CO -0.09 0.55 0.15 0.03 0.00 0.00 0.00 178.15 178.79 1b3u h ARG 458 N 0.15 0.81 -0.85 2.37 3.08 -1.16 -0.07 114.38 118.71 1b3u h ARG 458 Ca -0.03 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1b3u h ARG 458 Cb 1.16 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1b3u h ARG 458 CO 0.11 0.76 0.51 1.49 -1.07 0.00 0.00 179.97 181.77 1b3u h GLU 459 N 0.71 1.15 -0.29 0.04 4.81 -1.05 -0.99 114.58 118.96 1b3u h GLU 459 Ca 0.16 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 1b3u h GLU 459 Cb 0.30 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1b3u h GLU 459 CO -0.00 0.81 -0.37 0.00 -0.73 0.00 0.00 179.01 178.72 1b3u h ALA 460 N 1.28 0.43 -0.63 2.92 0.00 -1.02 -2.65 119.26 119.59 1b3u h ALA 460 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b3u h ALA 460 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1b3u h ALA 460 CO -0.06 0.51 0.39 0.00 0.00 0.00 0.00 179.25 180.10 1b3u h ALA 461 N 0.69 0.80 -0.06 0.00 0.00 -0.80 -1.20 119.26 118.69 1b3u h ALA 461 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1b3u h ALA 461 Cb 0.95 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1b3u h ALA 461 CO 0.09 0.26 -0.12 1.15 0.00 0.00 0.00 179.25 180.62 1b3u h THR 462 N 0.85 0.67 -0.19 0.00 2.02 -1.12 0.18 112.91 115.32 1b3u h THR 462 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.43 1b3u h THR 462 Cb -0.05 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1b3u h THR 462 CO -0.05 0.00 0.03 0.28 0.37 0.00 0.00 175.52 176.16 1b3u h SER 463 N -0.18 -0.00 -0.48 4.18 0.02 -1.21 -2.46 113.55 113.42 1b3u h SER 463 Ca 0.06 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1b3u h SER 463 Cb 0.27 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1b3u h SER 463 CO -0.17 0.03 0.06 -1.13 -1.14 0.00 0.00 176.83 174.48 1b3u h ASN 464 N 0.11 -0.07 -0.56 3.07 -0.00 -0.74 0.16 115.58 117.55 1b3u h ASN 464 Ca 0.09 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1b3u h ASN 464 Cb 0.08 0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.52 1b3u h ASN 464 CO -0.12 -0.00 0.36 0.25 -0.00 0.00 0.00 177.43 177.92 1b3u h LEU 465 N 0.19 0.64 -0.23 0.34 5.85 -0.70 -0.34 115.31 121.06 1b3u h LEU 465 Ca 0.24 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1b3u h LEU 465 Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1b3u h LEU 465 CO -0.34 0.48 0.09 0.11 -0.34 0.00 0.00 178.44 178.44 1b3u h LYS 466 N 0.75 0.35 -0.70 1.25 1.57 -0.96 -1.96 116.57 116.88 1b3u h LYS 466 Ca 0.20 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1b3u h LYS 466 Cb -0.07 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1b3u h LYS 466 CO -0.04 0.40 0.41 0.87 -0.57 0.00 0.00 179.45 180.52 1b3u h LYS 467 N 0.23 0.75 -0.34 3.15 6.56 -0.66 0.03 116.57 126.29 1b3u h LYS 467 Ca 0.08 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.66 1b3u h LYS 467 Cb 0.18 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 1b3u h LYS 467 CO -0.01 0.50 0.12 -0.07 -2.06 0.00 0.00 179.45 177.93 1b3u h LEU 468 N 0.78 0.13 -0.66 2.94 4.07 -0.83 -0.68 115.31 121.05 1b3u h LEU 468 Ca 0.30 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 58.21 1b3u h LEU 468 Cb 0.13 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1b3u h LEU 468 CO -0.16 0.11 0.05 0.58 -1.08 0.00 0.00 178.44 177.95 1b3u h VAL 469 N 0.26 1.26 0.00 1.22 2.07 -0.87 -1.11 116.25 119.10 1b3u h VAL 469 Ca 0.16 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1b3u h VAL 469 Cb 0.13 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1b3u h VAL 469 CO -0.16 0.41 -0.11 -0.33 0.02 0.00 0.00 177.57 177.40 1b3u h GLU 470 N 1.01 0.00 0.00 1.57 5.08 -0.33 0.43 114.58 122.33 1b3u h GLU 470 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1b3u h GLU 470 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1b3u h GLU 470 CO 0.02 0.11 -0.84 -0.22 -1.00 0.00 0.00 179.01 177.08 1b3u h LYS 471 N 0.00 0.00 0.00 2.33 3.64 -0.74 -3.40 116.57 118.40 1b3u h LYS 471 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b3u h LYS 471 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1b3u h LYS 471 CO 0.01 0.58 -0.09 0.74 -2.27 0.00 0.00 179.45 178.42 1b3u h PHE 472 N -1.00 0.00 0.00 1.91 0.04 -1.24 -3.50 116.94 113.15 1b3u h PHE 472 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1b3u h PHE 472 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1b3u h PHE 472 CO -0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 1b3u n GLY 473 N 1.17 1.42 0.25 -1.45 0.00 0.15 -4.40 105.19 102.34 1b3u n GLY 473 Ca 0.04 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.44 1b3u n GLY 473 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b3u h LYS 474 N 0.00 0.00 -0.41 1.61 2.10 -1.88 -1.97 116.57 116.02 1b3u h LYS 474 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1b3u h LYS 474 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1b3u h LYS 474 CO 0.00 0.12 -0.17 0.93 -2.00 0.00 0.00 179.45 178.33 1b3u h GLU 475 N 0.00 0.78 -0.54 0.07 4.39 -1.94 0.11 114.58 117.45 1b3u h GLU 475 Ca -0.00 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1b3u h GLU 475 Cb 0.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1b3u h GLU 475 CO 0.02 0.90 0.11 2.35 -1.16 0.00 0.00 179.01 181.22 1b3u h TRP 476 N 0.69 0.88 -0.11 4.33 7.01 -1.58 -0.10 115.95 127.08 1b3u h TRP 476 Ca 0.11 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1b3u h TRP 476 Cb 0.66 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 1b3u h TRP 476 CO 0.03 0.75 0.03 0.00 -2.79 0.00 0.00 178.44 176.46 1b3u h ALA 477 N 1.30 0.14 -0.94 2.65 0.00 -1.04 0.31 119.26 121.68 1b3u h ALA 477 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1b3u h ALA 477 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1b3u h ALA 477 CO 0.00 -0.22 0.62 1.25 0.00 0.00 0.00 179.25 180.90 1b3u h HIS 478 N -0.03 1.18 0.11 0.00 -0.00 -0.62 0.44 115.15 116.22 1b3u h HIS 478 Ca 0.03 0.03 -0.30 0.00 -0.00 0.00 0.00 60.37 60.13 1b3u h HIS 478 Cb 0.26 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1b3u h HIS 478 CO 0.01 0.74 -1.55 0.00 -0.00 0.00 0.00 177.93 177.14 1b3u h ALA 479 N 1.34 0.31 0.00 5.26 0.00 -0.95 -3.39 119.26 121.84 1b3u h ALA 479 Ca 0.34 -1.14 -0.24 0.00 0.00 0.00 0.00 54.91 53.88 1b3u h ALA 479 Cb -0.15 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1b3u h ALA 479 CO -0.07 1.18 -2.10 2.41 0.00 0.00 0.00 179.25 180.66 1b3u n THR 480 N -3.43 0.90 -0.09 0.00 -1.04 0.11 -4.72 114.28 106.00 1b3u n THR 480 Ca -0.17 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.05 61.01 1b3u n THR 480 Cb 1.04 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 69.10 1b3u n THR 480 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1b3u n ILE 481 N -2.52 1.32 -0.25 12.58 5.41 0.07 -4.62 119.36 131.34 1b3u n ILE 481 Ca -0.22 -0.12 0.06 0.00 1.00 0.00 0.00 62.75 63.46 1b3u n ILE 481 Cb 0.92 -1.96 0.19 0.00 -0.71 0.00 0.00 39.64 38.08 1b3u n ILE 481 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1b3u h ILE 482 N -0.81 0.56 -0.58 1.39 2.04 -1.55 -1.69 117.51 116.87 1b3u h ILE 482 Ca -0.36 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.51 1b3u h ILE 482 Cb 1.24 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1b3u h ILE 482 CO -0.22 0.06 0.04 -0.65 0.00 0.00 0.00 178.15 177.38 1b3u h PRO 483 N 0.33 0.15 -0.33 2.37 0.11 -1.84 0.74 132.00 133.53 1b3u h PRO 483 Ca 0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 1b3u h PRO 483 Cb 0.70 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1b3u h PRO 483 CO -0.47 0.10 0.07 0.87 -0.21 0.00 0.00 178.00 178.36 1b3u h LYS 484 N 0.16 0.52 -0.55 1.05 1.57 -1.61 -1.90 116.57 115.81 1b3u h LYS 484 Ca 0.30 -0.13 0.10 0.00 -1.87 0.00 0.00 60.65 59.05 1b3u h LYS 484 Cb 0.47 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 1b3u h LYS 484 CO -0.46 0.59 0.10 0.28 -0.57 0.00 0.00 179.45 179.39 1b3u h VAL 485 N 0.37 0.67 -0.63 0.50 2.07 -0.39 -1.57 116.25 117.26 1b3u h VAL 485 Ca 0.10 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1b3u h VAL 485 Cb 0.31 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1b3u h VAL 485 CO 0.00 0.04 0.03 -0.07 0.02 0.00 0.00 177.57 177.60 1b3u h LEU 486 N 0.24 1.06 -1.54 2.57 3.38 -0.73 -3.07 115.31 117.21 1b3u h LEU 486 Ca 0.29 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1b3u h LEU 486 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1b3u h LEU 486 CO -0.38 1.09 0.42 0.00 0.09 0.00 0.00 178.44 179.67 1b3u h ALA 487 N 1.01 1.90 0.00 1.53 0.00 -0.47 -1.54 119.26 121.69 1b3u h ALA 487 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b3u h ALA 487 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1b3u h ALA 487 CO 0.03 -0.03 0.00 0.52 0.00 0.00 0.00 179.25 179.77 1b3u h MET 488 N 0.53 0.00 0.00 0.00 2.86 -1.36 -2.79 114.93 114.17 1b3u h MET 488 Ca 0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1b3u h MET 488 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1b3u h MET 488 CO -0.09 0.00 -0.05 0.66 1.06 0.00 0.00 176.91 178.49 1b3u h SER 489 N 0.00 0.00 0.25 1.22 4.64 -1.36 -2.76 113.55 115.54 1b3u h SER 489 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1b3u h SER 489 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1b3u h SER 489 CO 0.00 0.05 -0.12 1.23 -0.87 0.00 0.00 176.83 177.12 1b3u h GLY 490 N 0.43 -0.35 0.00 -0.77 0.00 -1.65 -3.47 103.07 97.25 1b3u h GLY 490 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1b3u h GLY 490 CO 0.01 -0.13 0.00 1.22 0.00 0.00 0.00 176.54 177.64 1b3u n ASP 491 N -5.00 0.00 0.17 0.19 9.92 -1.04 -4.84 116.55 115.96 1b3u n ASP 491 Ca -0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.34 1b3u n ASP 491 Cb 0.17 0.00 0.37 0.00 -0.64 0.00 0.00 41.12 41.02 1b3u n ASP 491 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1b3u h PRO 492 N 0.00 0.00 -6.24 -0.24 0.13 -1.92 -3.43 132.00 120.30 1b3u h PRO 492 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1b3u h PRO 492 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1b3u h PRO 492 CO 0.00 0.00 0.82 1.21 -0.23 0.00 0.00 178.00 179.80 1b3u s ASN 493 N -5.25 6.98 0.25 1.44 3.84 -1.26 -4.91 114.94 116.02 1b3u s ASN 493 Ca 0.07 1.79 0.04 0.00 0.21 0.00 0.00 52.86 54.97 1b3u s ASN 493 Cb 0.09 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.56 1b3u s ASN 493 CO 0.59 -0.69 1.62 0.10 -2.79 0.00 0.00 177.10 175.93 1b3u h TYR 494 N 7.89 0.38 -0.17 0.43 -0.00 -1.99 -2.56 116.97 120.96 1b3u h TYR 494 Ca -0.31 -0.12 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1b3u h TYR 494 Cb 1.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1b3u h TYR 494 CO 0.77 0.74 0.11 -0.07 -0.00 0.00 0.00 178.16 179.71 1b3u h LEU 495 N 0.25 0.20 -0.20 0.10 3.38 -1.97 0.16 115.31 117.23 1b3u h LEU 495 Ca 0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1b3u h LEU 495 Cb 0.96 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1b3u h LEU 495 CO 0.08 0.15 -0.10 0.45 0.09 0.00 0.00 178.44 179.10 1b3u h HIS 496 N 0.23 0.49 -0.18 1.13 3.86 -1.82 -0.82 115.15 118.05 1b3u h HIS 496 Ca 0.06 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1b3u h HIS 496 Cb -0.02 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1b3u h HIS 496 CO 0.00 0.72 -0.15 0.00 0.86 0.00 0.00 177.93 179.36 1b3u h ARG 497 N 0.12 0.29 -0.22 2.45 3.08 -1.08 -1.24 114.38 117.79 1b3u h ARG 497 Ca 0.04 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1b3u h ARG 497 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1b3u h ARG 497 CO 0.03 0.45 -0.25 1.98 -1.07 0.00 0.00 179.97 181.11 1b3u h MET 498 N 0.28 0.41 -0.31 0.04 4.05 -0.45 -2.42 114.93 116.53 1b3u h MET 498 Ca 0.05 -0.15 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 1b3u h MET 498 Cb 0.44 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1b3u h MET 498 CO 0.03 0.64 -0.02 1.15 0.23 0.00 0.00 176.91 178.93 1b3u h THR 499 N 0.37 1.19 -0.29 -0.77 2.02 0.06 -1.82 112.91 113.67 1b3u h THR 499 Ca 0.06 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.47 1b3u h THR 499 Cb 0.64 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1b3u h THR 499 CO 0.05 0.26 0.19 0.74 0.37 0.00 0.00 175.52 177.12 1b3u h THR 500 N 0.46 1.06 -0.20 3.16 2.02 -1.07 -1.08 112.91 117.26 1b3u h THR 500 Ca 0.10 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1b3u h THR 500 Cb 0.33 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1b3u h THR 500 CO 0.01 0.07 0.07 -0.07 0.37 0.00 0.00 175.52 175.97 1b3u h LEU 501 N 0.38 0.28 -0.75 2.58 4.07 -1.37 -2.02 115.31 118.48 1b3u h LEU 501 Ca 0.11 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 1b3u h LEU 501 Cb -0.03 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1b3u h LEU 501 CO -0.04 0.39 0.20 -0.26 -1.08 0.00 0.00 178.44 177.66 1b3u h PHE 502 N 0.15 1.19 -0.05 1.13 -1.00 -1.26 -1.57 116.94 115.53 1b3u h PHE 502 Ca 0.06 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1b3u h PHE 502 Cb 0.21 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.43 1b3u h PHE 502 CO -0.00 0.95 0.03 0.00 -1.61 0.00 0.00 178.31 177.68 1b3u h ILE 504 N 0.00 1.05 -0.88 0.00 2.04 -1.18 0.09 117.51 118.64 1b3u h ILE 504 Ca 0.02 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1b3u h ILE 504 Cb 0.06 -0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 35.91 1b3u h ILE 504 CO -0.00 0.21 0.57 0.78 0.00 0.00 0.00 178.15 179.70 1b3u h ASN 505 N 1.13 0.80 0.08 1.72 -0.26 -0.88 -1.61 115.58 116.55 1b3u h ASN 505 Ca 0.44 0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 56.05 1b3u h ASN 505 Cb 0.23 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1b3u h ASN 505 CO -0.19 0.48 -0.74 0.58 -1.06 0.00 0.00 177.43 176.49 1b3u h VAL 506 N 0.88 1.43 0.00 2.81 2.07 -0.91 -3.36 116.25 119.18 1b3u h VAL 506 Ca 0.40 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 1b3u h VAL 506 Cb 0.38 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1b3u h VAL 506 CO -0.17 0.64 -0.10 -0.07 0.02 0.00 0.00 177.57 177.90 1b3u h LEU 507 N -0.62 0.00 -1.73 2.57 3.38 -0.93 -2.19 115.31 115.79 1b3u h LEU 507 Ca -0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1b3u h LEU 507 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1b3u h LEU 507 CO 0.05 0.10 0.20 0.77 0.09 0.00 0.00 178.44 179.64 1b3u h SER 508 N 0.00 0.31 0.87 -0.43 4.64 -1.44 0.24 113.55 117.75 1b3u h SER 508 Ca -0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1b3u h SER 508 Cb 0.17 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1b3u h SER 508 CO 0.01 0.22 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.75 1b3u h GLU 509 N 0.37 0.00 0.00 4.77 5.08 -1.56 -3.36 114.58 119.87 1b3u h GLU 509 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1b3u h GLU 509 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1b3u h GLU 509 CO -0.02 0.11 -0.03 1.33 -1.00 0.00 0.00 179.01 179.40 1b3u n VAL 510 N -3.28 0.00 1.00 3.13 0.24 -0.53 -4.76 118.33 114.13 1b3u n VAL 510 Ca 0.00 -0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.07 1b3u n VAL 510 Cb 0.34 0.98 0.28 0.00 -1.47 0.00 0.00 33.84 33.97 1b3u n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3u n GLY 512 N 1.50 0.15 0.34 0.00 0.00 -1.26 -4.35 105.19 101.57 1b3u n GLY 512 Ca 0.06 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1b3u n GLY 512 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1b3u h GLN 513 N 0.00 1.17 0.15 1.61 4.15 -1.88 -2.57 115.11 117.75 1b3u h GLN 513 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1b3u h GLN 513 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1b3u h GLN 513 CO 0.00 0.99 -0.07 0.22 -1.93 0.00 0.00 178.83 178.04 1b3u h ASP 514 N 1.13 -0.17 -0.46 -0.69 1.82 -1.93 -0.88 116.42 115.24 1b3u h ASP 514 Ca 0.25 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.66 1b3u h ASP 514 Cb 0.29 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1b3u h ASP 514 CO -0.01 -0.00 -0.19 0.40 -1.61 0.00 0.00 179.24 177.82 1b3u h ILE 515 N -0.33 1.27 -0.17 2.25 2.04 -1.75 -1.67 117.51 119.14 1b3u h ILE 515 Ca -0.02 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1b3u h ILE 515 Cb 0.26 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1b3u h ILE 515 CO 0.03 0.46 0.11 0.74 0.00 0.00 0.00 178.15 179.49 1b3u h THR 516 N 0.79 1.06 -0.59 -0.27 2.02 -1.42 0.32 112.91 114.82 1b3u h THR 516 Ca 0.11 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1b3u h THR 516 Cb 0.76 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1b3u h THR 516 CO 0.06 0.06 0.05 0.74 0.37 0.00 0.00 175.52 176.80 1b3u h THR 517 N 0.22 1.26 0.13 3.16 2.02 -1.14 -0.93 112.91 117.64 1b3u h THR 517 Ca 0.06 -1.07 -0.31 0.00 0.77 0.00 0.00 66.41 65.86 1b3u h THR 517 Cb 0.00 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1b3u h THR 517 CO -0.01 0.39 -1.57 0.11 0.37 0.00 0.00 175.52 174.81 1b3u h LYS 518 N 0.91 0.28 -0.01 6.66 1.57 -1.18 -3.40 116.57 121.41 1b3u h LYS 518 Ca 0.17 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1b3u h LYS 518 Cb 0.49 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1b3u h LYS 518 CO 0.02 1.15 -0.04 0.72 -0.57 0.00 0.00 179.45 180.73 1b3u n HIS 519 N -3.48 0.00 0.00 -1.35 8.25 0.11 -4.75 115.22 114.00 1b3u n HIS 519 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1b3u n HIS 519 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1b3u n HIS 519 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1b3u n MET 520 N 0.08 0.00 -0.14 -0.41 2.81 -0.79 -4.80 117.12 113.87 1b3u n MET 520 Ca 0.03 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.88 1b3u n MET 520 Cb 0.14 -0.57 0.03 0.00 -0.71 0.00 0.00 33.22 32.10 1b3u n MET 520 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1b3u h LEU 521 N 0.00 -0.43 -0.75 4.03 5.85 -1.40 -2.54 115.31 120.07 1b3u h LEU 521 Ca 0.00 0.14 0.17 0.00 0.84 0.00 0.00 57.88 59.03 1b3u h LEU 521 Cb 0.98 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 1b3u h LEU 521 CO 0.00 -0.15 0.13 -0.65 -0.34 0.00 0.00 178.44 177.43 1b3u h PRO 522 N -0.00 0.20 -0.52 5.25 0.11 -1.85 0.24 132.00 135.43 1b3u h PRO 522 Ca 0.22 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1b3u h PRO 522 Cb 0.34 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1b3u h PRO 522 CO -0.47 0.13 0.13 1.15 -0.21 0.00 0.00 178.00 178.73 1b3u h THR 523 N 0.21 1.24 -0.40 -1.15 2.02 -1.77 -1.53 112.91 111.53 1b3u h THR 523 Ca 0.43 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1b3u h THR 523 Cb 0.76 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1b3u h THR 523 CO -0.57 0.31 0.20 0.58 0.37 0.00 0.00 175.52 176.41 1b3u h VAL 524 N 0.72 1.16 -0.76 3.16 2.07 -0.91 -1.44 116.25 120.26 1b3u h VAL 524 Ca 0.16 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1b3u h VAL 524 Cb 0.33 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1b3u h VAL 524 CO 0.00 0.17 0.36 -0.07 0.02 0.00 0.00 177.57 178.06 1b3u h LEU 525 N 0.51 1.00 -1.03 2.57 3.38 -0.84 -2.62 115.31 118.27 1b3u h LEU 525 Ca 0.14 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1b3u h LEU 525 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1b3u h LEU 525 CO -0.02 0.85 -0.26 -0.09 0.09 0.00 0.00 178.44 179.01 1b3u h ARG 526 N 1.07 0.38 0.00 1.13 2.43 -1.04 -2.39 114.38 115.96 1b3u h ARG 526 Ca 0.26 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1b3u h ARG 526 Cb 0.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1b3u h ARG 526 CO -0.03 0.62 0.00 -1.33 -1.51 0.00 0.00 179.97 177.71 1b3u n MET 527 N -4.13 0.03 0.32 0.20 2.81 -0.56 -2.07 117.12 113.72 1b3u n MET 527 Ca -0.01 0.30 0.20 0.00 -1.81 0.00 0.00 57.70 56.38 1b3u n MET 527 Cb 0.39 -1.56 1.09 0.00 -0.71 0.00 0.00 33.22 32.44 1b3u n MET 527 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b3u h ALA 528 N 2.42 1.20 -0.00 3.04 0.00 -1.37 0.31 119.26 124.87 1b3u h ALA 528 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b3u h ALA 528 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b3u h ALA 528 CO 0.00 -0.07 -0.22 0.41 0.00 0.00 0.00 179.25 179.37 1b3u n GLY 529 N -1.17 -1.19 3.51 0.00 0.00 -0.88 -4.90 105.19 100.56 1b3u n GLY 529 Ca -0.02 -0.25 -0.52 0.00 0.00 0.00 0.00 46.02 45.22 1b3u n GLY 529 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b3u n ASP 530 N -1.29 0.27 0.26 1.61 -0.08 0.10 -4.87 116.55 112.55 1b3u n ASP 530 Ca 0.09 1.14 0.14 0.00 -1.51 0.00 0.00 54.79 54.66 1b3u n ASP 530 Cb 0.32 -1.06 0.66 0.00 2.34 0.00 0.00 41.12 43.38 1b3u n ASP 530 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b3u h PRO 531 N 2.66 0.00 -5.86 -0.67 0.13 -1.93 -3.43 132.00 122.90 1b3u h PRO 531 Ca -0.42 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 1b3u h PRO 531 Cb 1.39 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.45 1b3u h PRO 531 CO 0.65 0.11 0.48 0.08 -0.23 0.00 0.00 178.00 179.09 1b3u s VAL 532 N -3.82 4.83 0.47 1.56 1.01 -1.26 -4.91 120.40 118.28 1b3u s VAL 532 Ca -0.00 1.64 0.14 0.00 0.00 0.00 0.00 61.98 63.75 1b3u s VAL 532 Cb 0.11 -4.14 0.29 0.00 0.00 0.00 0.00 36.38 32.63 1b3u s VAL 532 CO 0.58 -0.06 2.08 0.00 0.00 0.00 0.00 175.10 177.70 1b3u h ALA 533 N 7.55 1.96 -0.22 5.51 0.00 -2.00 -1.92 119.26 130.13 1b3u h ALA 533 Ca -0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1b3u h ALA 533 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1b3u h ALA 533 CO 0.87 0.00 0.13 -0.97 0.00 0.00 0.00 179.25 179.29 1b3u h ASN 534 N 0.24 0.21 -0.61 0.00 -0.73 -1.95 -2.48 115.58 110.27 1b3u h ASN 534 Ca 0.11 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.24 1b3u h ASN 534 Cb 0.15 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1b3u h ASN 534 CO -0.02 0.16 0.20 0.58 -0.37 0.00 0.00 177.43 177.98 1b3u h VAL 535 N 0.27 1.24 -0.84 2.57 2.07 -1.74 -3.18 116.25 116.64 1b3u h VAL 535 Ca 0.09 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1b3u h VAL 535 Cb -0.01 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1b3u h VAL 535 CO -0.04 0.31 0.55 0.03 0.02 0.00 0.00 177.57 178.44 1b3u h ARG 536 N 0.86 1.06 0.00 1.57 3.08 -1.07 -1.79 114.38 118.09 1b3u h ARG 536 Ca 0.20 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1b3u h ARG 536 Cb 0.26 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1b3u h ARG 536 CO -0.01 0.70 -0.20 0.27 -1.07 0.00 0.00 179.97 179.66 1b3u h PHE 537 N 1.10 0.00 0.00 3.04 -5.15 -1.46 -2.56 116.94 111.90 1b3u h PHE 537 Ca 0.32 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.07 1b3u h PHE 537 Cb -0.06 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.11 1b3u h PHE 537 CO -0.02 0.20 -0.12 -0.91 -2.00 0.00 0.00 178.31 175.47 1b3u h ASN 538 N 0.00 0.00 -0.45 -0.68 2.35 -1.40 -2.17 115.58 113.24 1b3u h ASN 538 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1b3u h ASN 538 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 1b3u h ASN 538 CO 0.03 0.12 -0.10 0.58 -1.65 0.00 0.00 177.43 176.40 1b3u h VAL 539 N 0.00 1.27 -0.25 2.81 2.07 -0.92 0.17 116.25 121.40 1b3u h VAL 539 Ca -0.00 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1b3u h VAL 539 Cb 1.00 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1b3u h VAL 539 CO 0.02 0.42 0.08 0.00 0.02 0.00 0.00 177.57 178.10 1b3u h ALA 540 N 0.87 0.33 -0.87 1.67 0.00 -1.40 -0.61 119.26 119.26 1b3u h ALA 540 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1b3u h ALA 540 Cb 0.64 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1b3u h ALA 540 CO 0.04 -0.04 0.50 0.87 0.00 0.00 0.00 179.25 180.63 1b3u h LYS 541 N 0.24 1.19 -0.59 0.00 1.57 -1.23 -1.69 116.57 116.06 1b3u h LYS 541 Ca 0.08 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1b3u h LYS 541 Cb 0.24 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1b3u h LYS 541 CO -0.00 0.85 0.13 1.03 -0.57 0.00 0.00 179.45 180.89 1b3u h SER 542 N 1.20 0.91 0.24 0.86 0.87 -0.40 -1.28 113.55 115.95 1b3u h SER 542 Ca 0.31 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1b3u h SER 542 Cb -0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1b3u h SER 542 CO -0.05 0.92 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.84 1b3u h LEU 543 N 0.87 0.04 -0.37 2.23 3.38 -0.73 -0.73 115.31 119.99 1b3u h LEU 543 Ca 0.18 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1b3u h LEU 543 Cb 0.37 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1b3u h LEU 543 CO 0.01 0.30 -0.57 -0.61 0.09 0.00 0.00 178.44 177.65 1b3u h GLN 544 N 0.04 0.74 -0.30 1.13 4.15 -0.83 -1.11 115.11 118.92 1b3u h GLN 544 Ca 0.00 -0.48 -0.14 0.00 0.77 0.00 0.00 58.65 58.80 1b3u h GLN 544 Cb 0.48 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1b3u h GLN 544 CO 0.03 1.10 -0.37 -0.22 -1.93 0.00 0.00 178.83 177.45 1b3u h LYS 545 N 0.56 0.79 -0.00 1.69 1.63 -0.52 -3.31 116.57 117.40 1b3u h LYS 545 Ca 0.00 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1b3u h LYS 545 Cb 1.16 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1b3u h LYS 545 CO 0.12 1.07 -0.81 0.44 -3.45 0.00 0.00 179.45 176.82 1b3u n ILE 546 N -4.17 0.00 -0.21 2.00 -5.35 -0.35 -4.52 119.36 106.77 1b3u n ILE 546 Ca -0.04 -0.03 0.02 0.00 -0.27 0.00 0.00 62.75 62.43 1b3u n ILE 546 Cb 0.52 0.82 0.12 0.00 -1.74 0.00 0.00 39.64 39.37 1b3u n ILE 546 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1b3u h GLY 547 N 4.98 0.78 1.96 3.28 0.00 -1.29 -1.53 103.07 111.26 1b3u h GLY 547 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b3u h GLY 547 CO 0.00 -0.16 0.02 -2.55 0.00 0.00 0.00 176.54 173.85 1b3u h PRO 548 N 0.22 0.00 0.00 4.80 0.11 -1.79 -0.28 132.00 135.06 1b3u h PRO 548 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1b3u h PRO 548 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1b3u h PRO 548 CO -0.46 0.00 -0.46 0.82 -0.21 0.00 0.00 178.00 177.69 1b3u h ILE 549 N 0.00 0.00 -4.03 4.15 2.04 -1.59 -3.47 117.51 114.61 1b3u h ILE 549 Ca 0.00 -0.81 -0.46 0.00 1.00 0.00 0.00 64.86 64.59 1b3u h ILE 549 Cb 0.04 1.56 0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1b3u h ILE 549 CO 0.00 0.00 0.30 -0.76 0.00 0.00 0.00 178.15 177.69 1b3u s LEU 550 N -5.26 2.70 0.20 1.44 1.43 -0.12 -4.64 118.68 114.44 1b3u s LEU 550 Ca 0.05 0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1b3u s LEU 550 Cb 0.09 -3.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 1b3u s LEU 550 CO 0.71 -1.81 0.89 -0.62 0.23 0.00 0.00 176.35 175.75 1b3u s ASP 551 N -4.58 7.54 0.31 2.29 -1.08 -1.26 -4.95 116.67 114.95 1b3u s ASP 551 Ca 0.62 1.83 0.05 0.00 -0.52 0.00 0.00 52.55 54.53 1b3u s ASP 551 Cb -0.10 -2.57 0.70 0.00 -1.46 0.00 0.00 42.92 39.49 1b3u s ASP 551 CO 0.47 0.15 1.82 -1.13 0.52 0.00 0.00 175.17 177.00 1b3u h ASN 552 N 4.37 0.81 0.27 -0.34 -1.24 -1.97 0.93 115.58 118.40 1b3u h ASN 552 Ca -0.45 0.07 -0.08 0.00 0.71 0.00 0.00 56.30 56.54 1b3u h ASN 552 Cb 1.20 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 1b3u h ASN 552 CO 0.68 0.36 -0.35 0.77 -1.29 0.00 0.00 177.43 177.60 1b3u h SER 553 N 0.83 0.12 -0.20 1.15 4.64 -2.00 -2.07 113.55 116.01 1b3u h SER 553 Ca 0.53 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.61 1b3u h SER 553 Cb 0.74 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1b3u h SER 553 CO -0.30 0.46 -0.64 0.74 -0.87 0.00 0.00 176.83 176.22 1b3u h THR 554 N 0.10 1.28 -0.16 2.95 2.02 -1.26 -2.15 112.91 115.69 1b3u h THR 554 Ca 0.01 -1.84 0.01 0.00 0.77 0.00 0.00 66.41 65.37 1b3u h THR 554 Cb 0.66 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1b3u h THR 554 CO 0.05 0.59 0.07 -0.07 0.37 0.00 0.00 175.52 176.53 1b3u h LEU 555 N 0.60 0.09 -0.46 2.58 3.38 -0.89 -0.17 115.31 120.45 1b3u h LEU 555 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1b3u h LEU 555 Cb 1.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1b3u h LEU 555 CO 0.14 0.08 0.06 1.56 0.09 0.00 0.00 178.44 180.36 1b3u h GLN 556 N 0.16 0.77 0.00 1.13 1.08 -1.36 0.19 115.11 117.07 1b3u h GLN 556 Ca 0.07 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1b3u h GLN 556 Cb 0.03 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1b3u h GLN 556 CO -0.06 0.80 -0.93 -1.13 -0.95 0.00 0.00 178.83 176.56 1b3u n SER 557 N -4.44 0.75 0.00 1.46 3.41 -0.81 -4.30 113.62 109.69 1b3u n SER 557 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1b3u n SER 557 Cb 0.26 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1b3u n SER 557 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b3u n GLU 558 N -2.41 1.18 -0.05 4.33 1.02 -0.09 -4.74 120.64 119.89 1b3u n GLU 558 Ca 0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 1b3u n GLU 558 Cb 0.50 -0.85 -0.13 0.00 -0.02 0.00 0.00 31.44 30.94 1b3u n GLU 558 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1b3u h VAL 559 N 0.00 1.56 -0.08 2.62 2.07 -1.27 -3.33 116.25 117.82 1b3u h VAL 559 Ca 0.00 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 65.20 1b3u h VAL 559 Cb 0.70 3.14 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 1b3u h VAL 559 CO 0.00 0.59 -0.26 0.50 0.02 0.00 0.00 177.57 178.42 1b3u h LYS 560 N -0.85 -0.34 -0.71 1.57 3.64 -0.83 -0.39 116.57 118.65 1b3u h LYS 560 Ca -0.10 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1b3u h LYS 560 Cb 1.21 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 1b3u h LYS 560 CO -0.00 -0.23 0.34 -1.35 -2.27 0.00 0.00 179.45 175.94 1b3u h PRO 561 N -0.36 0.55 -0.14 1.90 0.11 -1.77 0.71 132.00 133.00 1b3u h PRO 561 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1b3u h PRO 561 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1b3u h PRO 561 CO -0.29 0.37 0.05 0.82 -0.21 0.00 0.00 178.00 178.74 1b3u h ILE 562 N 0.57 1.17 -0.66 4.15 1.08 -1.57 -2.21 117.51 120.03 1b3u h ILE 562 Ca 0.36 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1b3u h ILE 562 Cb 0.41 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1b3u h ILE 562 CO -0.29 0.15 0.40 -0.07 -0.69 0.00 0.00 178.15 177.65 1b3u h LEU 563 N 0.06 0.79 -0.69 1.44 3.38 -0.50 -2.40 115.31 117.39 1b3u h LEU 563 Ca 0.05 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1b3u h LEU 563 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1b3u h LEU 563 CO -0.00 0.61 0.00 -0.33 0.09 0.00 0.00 178.44 178.81 1b3u h GLU 564 N 0.91 1.01 0.00 1.13 5.08 -0.59 -2.56 114.58 119.56 1b3u h GLU 564 Ca 0.24 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1b3u h GLU 564 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1b3u h GLU 564 CO -0.05 0.99 -0.41 1.57 -1.00 0.00 0.00 179.01 180.11 1b3u h LYS 565 N 0.93 0.00 0.00 2.33 2.10 -1.08 -2.51 116.57 118.34 1b3u h LYS 565 Ca 0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.81 1b3u h LYS 565 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1b3u h LYS 565 CO 0.03 0.41 -0.03 -0.07 -2.00 0.00 0.00 179.45 177.80 1b3u h LEU 566 N 0.00 0.00 -0.44 7.07 3.38 -1.05 -1.07 115.31 123.20 1b3u h LEU 566 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b3u h LEU 566 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1b3u h LEU 566 CO 0.05 0.03 0.00 0.71 0.09 0.00 0.00 178.44 179.32 1b3u h THR 567 N 0.00 0.00 -0.79 0.22 1.35 -1.12 -2.73 112.91 109.84 1b3u h THR 567 Ca -0.00 -0.36 -0.33 0.00 -0.55 0.00 0.00 66.41 65.17 1b3u h THR 567 Cb 0.60 1.22 -0.19 0.00 -1.73 0.00 0.00 68.15 68.04 1b3u h THR 567 CO 0.00 0.00 0.38 0.00 -0.25 0.00 0.00 175.52 175.65 1b3u n GLN 568 N -2.31 2.91 -3.02 4.72 1.13 -0.41 -4.81 117.38 115.60 1b3u n GLN 568 Ca 0.03 -3.06 -0.31 0.00 -1.94 0.00 0.00 57.00 51.72 1b3u n GLN 568 Cb 0.32 -2.15 -0.04 0.00 0.11 0.00 0.00 30.24 28.48 1b3u n GLN 568 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1b3u s ASP 569 N -1.34 6.60 0.34 1.08 -1.08 -1.03 -4.98 116.67 116.27 1b3u s ASP 569 Ca 0.54 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 53.97 1b3u s ASP 569 Cb 0.45 -2.32 0.78 0.00 -1.46 0.00 0.00 42.92 40.37 1b3u s ASP 569 CO 0.11 -0.30 1.75 0.06 0.52 0.00 0.00 175.17 177.31 1b3u h GLN 570 N 1.70 0.00 -6.15 4.34 -0.00 -1.94 -3.44 115.11 109.62 1b3u h GLN 570 Ca -0.47 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 57.62 1b3u h GLN 570 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.62 1b3u h GLN 570 CO 0.65 0.00 0.17 0.34 -0.00 0.00 0.00 178.83 179.98 1b3u s ASP 571 N -5.18 7.10 0.29 0.06 -1.08 -1.26 -4.98 116.67 111.63 1b3u s ASP 571 Ca 0.07 1.33 0.00 0.00 -0.52 0.00 0.00 52.55 53.43 1b3u s ASP 571 Cb 0.09 -2.46 0.50 0.00 -1.46 0.00 0.00 42.92 39.60 1b3u s ASP 571 CO 0.58 -0.14 1.90 0.58 0.52 0.00 0.00 175.17 178.61 1b3u h VAL 572 N 4.72 1.07 0.05 1.11 2.07 -2.00 -2.40 116.25 120.87 1b3u h VAL 572 Ca -0.41 -0.36 -0.26 0.00 0.82 0.00 0.00 66.70 66.48 1b3u h VAL 572 Cb 1.20 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1b3u h VAL 572 CO 0.75 0.19 -1.08 0.44 0.02 0.00 0.00 177.57 177.89 1b3u h ASP 573 N 1.06 0.71 -0.40 0.57 3.32 -1.97 -2.65 116.42 117.06 1b3u h ASP 573 Ca 0.40 -0.61 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1b3u h ASP 573 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1b3u h ASP 573 CO -0.15 1.42 0.24 0.58 -1.72 0.00 0.00 179.24 179.61 1b3u h VAL 574 N 0.27 1.13 -0.51 -1.35 2.07 -1.85 -0.64 116.25 115.38 1b3u h VAL 574 Ca -0.13 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1b3u h VAL 574 Cb 1.74 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1b3u h VAL 574 CO 0.20 0.14 0.04 0.07 0.02 0.00 0.00 177.57 178.04 1b3u h LYS 575 N 0.53 0.83 0.42 1.57 2.10 -1.49 -1.87 116.57 118.65 1b3u h LYS 575 Ca 0.14 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1b3u h LYS 575 Cb 0.01 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1b3u h LYS 575 CO -0.03 0.80 -0.20 -0.92 -2.00 0.00 0.00 179.45 177.10 1b3u h TYR 576 N 0.78 -0.52 0.00 0.07 3.20 -1.02 -2.66 116.97 116.81 1b3u h TYR 576 Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1b3u h TYR 576 Cb 0.41 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1b3u h TYR 576 CO 0.02 -0.23 -0.11 0.74 -1.64 0.00 0.00 178.16 176.95 1b3u h PHE 577 N -0.77 0.00 -0.06 -3.82 0.04 -1.13 -2.23 116.94 108.97 1b3u h PHE 577 Ca -0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1b3u h PHE 577 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1b3u h PHE 577 CO -0.00 0.11 -0.04 0.00 -0.60 0.00 0.00 178.31 177.77 1b3u h ALA 578 N 1.89 0.09 -0.19 2.45 0.00 -1.26 -1.98 119.26 120.25 1b3u h ALA 578 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1b3u h ALA 578 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1b3u h ALA 578 CO 0.01 -0.15 -0.29 0.37 0.00 0.00 0.00 179.25 179.19 1b3u h GLN 579 N -0.27 0.37 -0.31 0.00 5.75 -1.25 -2.16 115.11 117.23 1b3u h GLN 579 Ca 0.01 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1b3u h GLN 579 Cb 0.51 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1b3u h GLN 579 CO 0.01 0.63 -0.01 1.49 -2.65 0.00 0.00 178.83 178.31 1b3u h GLU 580 N 0.32 0.55 -0.52 1.69 4.81 -1.39 -1.53 114.58 118.52 1b3u h GLU 580 Ca 0.04 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1b3u h GLU 580 Cb 0.69 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1b3u h GLU 580 CO 0.05 0.69 0.23 0.00 -0.73 0.00 0.00 179.01 179.26 1b3u h ALA 581 N 0.84 0.66 -0.65 2.92 0.00 -1.13 0.21 119.26 122.10 1b3u h ALA 581 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1b3u h ALA 581 Cb 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1b3u h ALA 581 CO 0.02 -0.14 0.37 -0.07 0.00 0.00 0.00 179.25 179.43 1b3u h LEU 582 N 0.45 0.56 -0.02 0.00 3.38 -1.15 -0.54 115.31 117.99 1b3u h LEU 582 Ca 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1b3u h LEU 582 Cb 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b3u h LEU 582 CO -0.20 0.37 -0.01 0.74 0.09 0.00 0.00 178.44 179.43 1b3u h THR 583 N 0.69 1.34 -0.01 0.22 2.02 -0.22 -0.85 112.91 116.10 1b3u h THR 583 Ca 0.29 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1b3u h THR 583 Cb 0.15 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1b3u h THR 583 CO -0.17 0.27 0.01 0.58 0.37 0.00 0.00 175.52 176.59 1b3u h VAL 584 N -0.37 0.63 -0.59 3.16 2.07 -0.42 -0.42 116.25 120.31 1b3u h VAL 584 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b3u h VAL 584 Cb 0.45 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1b3u h VAL 584 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1b3u n LEU 585 N -4.00 3.45 -3.16 2.57 4.77 -0.23 -4.93 117.00 115.47 1b3u n LEU 585 Ca -0.03 -1.73 -0.22 0.00 -0.03 0.00 0.00 56.01 54.00 1b3u n LEU 585 Cb 0.10 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1b3u n LEU 585 CO 0.29 0.78 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.90 1b3u n SER 586 N 1.18 -4.67 -1.01 -1.43 7.64 -0.17 -4.79 113.62 110.38 1b3u n SER 586 Ca 0.21 -0.31 0.09 0.00 1.01 0.00 0.00 58.87 59.86 1b3u n SER 586 Cb 0.57 -3.83 0.24 0.00 -1.01 0.00 0.00 64.21 60.19 1b3u n SER 586 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1b3u n LEU 587 N -3.78 3.51 0.00 -3.43 4.77 -0.34 -5.05 117.00 112.67 1b3u n LEU 587 Ca -0.06 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1b3u n LEU 587 Cb 0.58 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1b3u n LEU 587 CO 0.47 0.85 0.17 0.00 -1.33 0.00 0.00 177.39 177.55