#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sby s ASP 2 N 0.00 6.35 0.00 6.12 2.15 -1.26 -4.49 116.67 125.53 1sby s ASP 2 Ca 0.00 -0.15 0.17 0.00 0.43 0.00 0.00 52.55 53.00 1sby s ASP 2 Cb 0.00 -2.31 0.76 0.00 -0.30 0.00 0.00 42.92 41.07 1sby s ASP 2 CO 0.00 -0.66 1.55 0.18 -0.17 0.00 0.00 175.17 176.08 1sby n LEU 3 N 6.06 0.00 -4.69 -1.34 4.77 -1.26 -4.74 117.00 115.81 1sby n LEU 3 Ca -0.02 0.48 -0.44 0.00 -0.03 0.00 0.00 56.01 55.99 1sby n LEU 3 Cb 0.48 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1sby n LEU 3 CO 0.50 -0.19 1.37 0.41 -1.33 0.00 0.00 177.39 178.15 1sby n THR 4 N -1.48 0.20 -1.13 -5.08 -1.04 -1.24 -1.47 114.28 103.04 1sby n THR 4 Ca 0.05 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.97 1sby n THR 4 Cb 0.20 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 66.79 1sby n THR 4 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1sby n ASN 5 N 4.73 -4.49 -4.94 8.00 3.02 -0.47 -4.89 115.26 116.22 1sby n ASN 5 Ca 0.18 0.11 -0.24 0.00 -0.03 0.00 0.00 54.58 54.60 1sby n ASN 5 Cb 0.33 -2.40 0.02 0.00 -0.61 0.00 0.00 39.78 37.13 1sby n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sby s LYS 6 N -1.84 2.94 -0.21 3.52 -0.14 -0.54 -4.17 119.74 119.30 1sby s LYS 6 Ca 0.00 -0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.25 1sby s LYS 6 Cb 0.00 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.72 1sby s LYS 6 CO 0.00 -0.49 -0.10 -0.80 -0.76 0.00 0.00 175.35 173.20 1sby s ASN 7 N -4.28 3.87 -0.05 2.83 0.01 -1.26 -0.39 114.94 115.67 1sby s ASN 7 Ca 0.51 -0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1sby s ASN 7 Cb -0.10 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 1sby s ASN 7 CO 0.41 -0.02 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.08 1sby s VAL 8 N 1.40 1.68 -0.18 1.60 1.01 -0.44 -0.46 120.40 125.00 1sby s VAL 8 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1sby s VAL 8 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1sby s VAL 8 CO -0.07 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 174.88 1sby s ILE 9 N -0.05 4.15 -0.23 2.22 1.01 -0.39 -0.56 121.20 127.34 1sby s ILE 9 Ca -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1sby s ILE 9 Cb -0.12 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.54 1sby s ILE 9 CO 0.03 0.45 -0.08 0.12 0.00 0.00 0.00 174.94 175.46 1sby s PHE 10 N 0.66 2.61 -0.29 3.97 5.99 0.24 -0.61 117.98 130.56 1sby s PHE 10 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 56.93 54.80 1sby s PHE 10 Cb -0.14 -1.68 0.01 0.00 0.00 0.00 0.00 43.02 41.21 1sby s PHE 10 CO 0.02 -0.79 0.99 0.08 -0.00 0.00 0.00 175.22 175.52 1sby s VAL 11 N 1.32 4.64 -0.07 3.12 1.01 0.13 -1.69 120.40 128.86 1sby s VAL 11 Ca -0.06 1.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 1sby s VAL 11 Cb -0.18 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1sby s VAL 11 CO -0.06 -0.32 0.06 0.00 0.00 0.00 0.00 175.10 174.78 1sby n ALA 12 N 6.52 -0.10 0.43 5.51 0.00 -0.05 -1.01 120.51 131.79 1sby n ALA 12 Ca 0.10 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1sby n ALA 12 Cb 0.47 -0.67 0.32 0.00 0.00 0.00 0.00 19.45 19.57 1sby n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sby h ALA 13 N 0.05 1.00 -0.32 0.00 0.00 -1.79 -3.33 119.26 114.87 1sby h ALA 13 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sby h ALA 13 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1sby h ALA 13 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1sby n LEU 14 N -2.66 3.35 0.00 0.00 4.77 -1.26 -1.72 117.00 119.48 1sby n LEU 14 Ca 0.04 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 1sby n LEU 14 Cb 0.46 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sby n LEU 14 CO 0.31 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1sby n GLY 15 N 0.11 0.00 0.00 -0.72 0.00 -1.25 -4.60 105.19 98.73 1sby n GLY 15 Ca 0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1sby n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sby n GLY 16 N 5.00 -2.93 0.17 -0.02 0.00 -1.26 -0.58 105.19 105.57 1sby n GLY 16 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 1sby n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sby h ILE 17 N 0.00 1.39 -0.67 -0.61 2.04 -1.94 -3.15 117.51 114.56 1sby h ILE 17 Ca 0.00 -2.06 0.08 0.00 1.00 0.00 0.00 64.86 63.88 1sby h ILE 17 Cb 0.00 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 1sby h ILE 17 CO 0.00 0.61 0.34 1.23 0.00 0.00 0.00 178.15 180.33 1sby h GLY 18 N 1.40 0.99 0.95 5.37 0.00 -1.77 -1.37 103.07 108.64 1sby h GLY 18 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1sby h GLY 18 CO 0.11 0.08 -0.10 -2.00 0.00 0.00 0.00 176.54 174.63 1sby h LEU 19 N 0.59 0.71 -0.80 3.11 5.85 0.04 0.30 115.31 125.11 1sby h LEU 19 Ca 0.32 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1sby h LEU 19 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1sby h LEU 19 CO -0.24 0.91 0.00 0.44 -0.34 0.00 0.00 178.44 179.21 1sby h ASP 20 N 0.49 0.88 -0.70 1.25 3.32 -1.59 -0.14 116.42 119.94 1sby h ASP 20 Ca 0.09 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1sby h ASP 20 Cb 0.61 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1sby h ASP 20 CO 0.04 0.94 0.43 0.74 -1.72 0.00 0.00 179.24 179.67 1sby h THR 21 N 0.84 1.20 -0.64 0.35 2.02 -0.91 -2.37 112.91 113.40 1sby h THR 21 Ca 0.16 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1sby h THR 21 Cb 0.49 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1sby h THR 21 CO 0.02 0.20 0.35 0.28 0.37 0.00 0.00 175.52 176.75 1sby h SER 22 N 0.95 0.80 -0.73 4.18 0.02 -0.02 0.15 113.55 118.90 1sby h SER 22 Ca 0.25 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1sby h SER 22 Cb -0.04 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 1sby h SER 22 CO -0.05 0.66 0.41 0.03 -1.14 0.00 0.00 176.83 176.74 1sby h ARG 23 N 0.87 0.72 -0.33 3.45 3.08 -0.77 -1.53 114.38 119.86 1sby h ARG 23 Ca 0.22 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 1sby h ARG 23 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1sby h ARG 23 CO -0.04 0.47 -0.42 0.93 -1.07 0.00 0.00 179.97 179.84 1sby h GLU 24 N 0.74 0.84 -0.08 0.04 4.39 -0.88 -3.02 114.58 116.61 1sby h GLU 24 Ca 0.33 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1sby h GLU 24 Cb 0.23 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1sby h GLU 24 CO -0.20 1.10 0.04 -0.07 -1.16 0.00 0.00 179.01 178.72 1sby h LEU 25 N 0.68 0.10 -0.69 1.33 3.38 -0.23 -3.05 115.31 116.83 1sby h LEU 25 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sby h LEU 25 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1sby h LEU 25 CO 0.10 0.16 0.00 -0.37 0.09 0.00 0.00 178.44 178.41 1sby h VAL 26 N 0.04 0.00 0.00 1.22 -1.51 -1.34 -1.12 116.25 113.54 1sby h VAL 26 Ca 0.03 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1sby h VAL 26 Cb 0.08 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1sby h VAL 26 CO -0.00 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 176.45 1sby h LYS 27 N 0.00 0.00 -0.22 5.19 1.57 -1.41 -3.11 116.57 118.59 1sby h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sby h LYS 27 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sby h LYS 27 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1sby n ARG 28 N -2.89 1.63 -2.85 3.15 5.12 -0.42 -4.94 116.66 115.45 1sby n ARG 28 Ca 0.01 -0.96 -0.09 0.00 -1.93 0.00 0.00 57.85 54.88 1sby n ARG 28 Cb 0.29 -1.29 0.03 0.00 -1.16 0.00 0.00 32.46 30.32 1sby n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1sby n ASN 29 N 0.23 -3.54 -4.56 0.55 2.85 -1.18 -3.65 115.26 105.96 1sby n ASN 29 Ca 0.12 -0.18 -0.36 0.00 -0.11 0.00 0.00 54.58 54.05 1sby n ASN 29 Cb 0.26 -2.14 0.08 0.00 1.24 0.00 0.00 39.78 39.22 1sby n ASN 29 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sby n LEU 30 N -2.07 2.50 -0.05 1.20 4.77 -1.26 -1.37 117.00 120.72 1sby n LEU 30 Ca -0.00 0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1sby n LEU 30 Cb 0.52 -1.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.18 1sby n LEU 30 CO 0.23 -2.43 0.40 0.50 -1.33 0.00 0.00 177.39 174.75 1sby h LYS 31 N -0.22 -0.02 -4.48 3.23 3.64 -0.88 -3.40 116.57 114.43 1sby h LYS 31 Ca -0.47 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.51 1sby h LYS 31 Cb 1.34 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.86 1sby h LYS 31 CO 0.46 0.75 -0.78 -0.80 -2.27 0.00 0.00 179.45 176.81 1sby s ASN 32 N -6.00 1.07 -0.26 4.20 0.01 -1.00 -1.80 114.94 111.16 1sby s ASN 32 Ca -0.16 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1sby s ASN 32 Cb -0.02 -0.29 0.07 0.00 0.41 0.00 0.00 41.25 41.42 1sby s ASN 32 CO 0.61 0.05 -0.05 0.12 -1.51 0.00 0.00 177.10 176.32 1sby s PHE 33 N 0.22 2.76 -0.29 2.20 5.36 0.18 -1.33 117.98 127.08 1sby s PHE 33 Ca -0.03 -2.05 -0.07 0.00 -0.96 0.00 0.00 56.93 53.82 1sby s PHE 33 Cb -0.08 -1.82 -0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1sby s PHE 33 CO 0.00 -0.83 0.08 0.08 -1.46 0.00 0.00 175.22 173.10 1sby s VAL 34 N 1.27 4.09 -0.22 3.12 1.01 0.27 -1.41 120.40 128.54 1sby s VAL 34 Ca -0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1sby s VAL 34 Cb -0.19 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1sby s VAL 34 CO -0.07 0.14 0.13 -0.63 0.00 0.00 0.00 175.10 174.68 1sby s ILE 35 N 1.54 5.29 -0.28 2.22 1.01 0.53 -0.59 121.20 130.91 1sby s ILE 35 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1sby s ILE 35 Cb -0.17 -3.44 0.07 0.00 0.01 0.00 0.00 42.46 38.94 1sby s ILE 35 CO 0.03 0.39 -0.05 -0.76 0.00 0.00 0.00 174.94 174.55 1sby s LEU 36 N 0.72 3.64 0.06 2.97 1.43 -0.68 -0.79 118.68 126.03 1sby s LEU 36 Ca 0.07 -1.58 0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1sby s LEU 36 Cb -0.12 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1sby s LEU 36 CO 0.01 -0.26 -0.07 -0.62 0.23 0.00 0.00 176.35 175.65 1sby s ASP 37 N 1.11 0.96 0.23 2.29 -1.08 -1.06 -0.87 116.67 118.23 1sby s ASP 37 Ca -0.02 -0.75 0.03 0.00 -0.52 0.00 0.00 52.55 51.29 1sby s ASP 37 Cb -0.19 0.06 0.22 0.00 -1.46 0.00 0.00 42.92 41.55 1sby s ASP 37 CO -0.07 -0.32 1.55 -0.09 0.52 0.00 0.00 175.17 176.76 1sby h ARG 38 N 3.85 0.32 -5.88 4.34 2.43 -1.76 0.05 114.38 117.73 1sby h ARG 38 Ca -0.36 -0.21 -0.54 0.00 -0.81 0.00 0.00 59.98 58.06 1sby h ARG 38 Cb 1.19 0.03 -0.25 0.00 -0.42 0.00 0.00 29.97 30.51 1sby h ARG 38 CO 0.51 0.81 -0.83 0.14 -1.51 0.00 0.00 179.97 179.09 1sby s VAL 39 N -3.83 1.52 0.44 0.20 -7.23 -1.26 -4.65 120.40 105.58 1sby s VAL 39 Ca -0.05 -1.16 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1sby s VAL 39 Cb 0.12 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 1sby s VAL 39 CO 0.81 0.14 1.17 -1.61 -0.31 0.00 0.00 175.10 175.29 1sby s GLU 40 N -1.20 3.87 -0.41 4.82 2.02 -1.26 -5.03 118.70 121.51 1sby s GLU 40 Ca 0.06 1.80 0.04 0.00 0.02 0.00 0.00 54.97 56.88 1sby s GLU 40 Cb -0.09 -2.50 0.17 0.00 0.10 0.00 0.00 34.13 31.81 1sby s GLU 40 CO 0.02 -0.47 0.36 1.21 0.02 0.00 0.00 175.26 176.40 1sby s ASN 41 N -1.28 1.33 0.27 -0.19 3.84 -1.26 -5.02 114.94 112.64 1sby s ASN 41 Ca 0.61 -2.87 -0.02 0.00 0.21 0.00 0.00 52.86 50.80 1sby s ASN 41 Cb -0.29 -0.25 0.43 0.00 -0.55 0.00 0.00 41.25 40.59 1sby s ASN 41 CO 0.36 -0.18 1.88 -0.65 -2.79 0.00 0.00 177.10 175.73 1sby h PRO 42 N 5.74 1.12 0.12 0.43 0.11 -1.98 0.93 132.00 138.47 1sby h PRO 42 Ca 0.23 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1sby h PRO 42 Cb 0.93 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1sby h PRO 42 CO 0.33 0.74 -0.06 1.15 -0.21 0.00 0.00 178.00 179.96 1sby h THR 43 N 1.15 0.89 -0.72 -1.15 2.02 -1.99 0.13 112.91 113.25 1sby h THR 43 Ca 0.43 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1sby h THR 43 Cb 0.19 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1sby h THR 43 CO -0.18 0.01 0.43 0.00 0.37 0.00 0.00 175.52 176.15 1sby h ALA 44 N 0.72 0.92 -0.67 6.16 0.00 -1.84 -1.39 119.26 123.16 1sby h ALA 44 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sby h ALA 44 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1sby h ALA 44 CO 0.03 0.41 0.27 1.25 0.00 0.00 0.00 179.25 181.21 1sby h LEU 45 N 0.99 0.92 -0.35 0.00 5.85 -0.53 -2.17 115.31 120.03 1sby h LEU 45 Ca 0.26 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1sby h LEU 45 Cb -0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1sby h LEU 45 CO -0.05 0.84 0.13 0.00 -0.34 0.00 0.00 178.44 179.02 1sby h ALA 46 N 1.12 0.45 -0.25 1.25 0.00 -0.32 -2.07 119.26 119.43 1sby h ALA 46 Ca 0.23 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1sby h ALA 46 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1sby h ALA 46 CO -0.02 0.06 -0.00 1.49 0.00 0.00 0.00 179.25 180.78 1sby h GLU 47 N 0.41 0.07 -0.35 0.00 4.81 -1.08 -2.44 114.58 116.00 1sby h GLU 47 Ca 0.11 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1sby h GLU 47 Cb 0.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1sby h GLU 47 CO -0.01 0.05 0.22 -0.07 -0.73 0.00 0.00 179.01 178.47 1sby h LEU 48 N 0.08 0.38 -1.63 1.64 3.38 -1.23 -1.98 115.31 115.94 1sby h LEU 48 Ca 0.12 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1sby h LEU 48 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1sby h LEU 48 CO -0.20 0.27 0.36 0.11 0.09 0.00 0.00 178.44 179.06 1sby h LYS 49 N 0.45 0.43 0.00 1.13 1.57 -1.22 -1.79 116.57 117.14 1sby h LYS 49 Ca 0.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1sby h LYS 49 Cb -0.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1sby h LYS 49 CO -0.04 0.29 -0.08 0.00 -0.57 0.00 0.00 179.45 179.05 1sby h ALA 50 N 1.72 0.96 -0.55 3.86 0.00 -0.88 -3.21 119.26 121.16 1sby h ALA 50 Ca 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1sby h ALA 50 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sby h ALA 50 CO -0.06 0.10 0.16 0.82 0.00 0.00 0.00 179.25 180.26 1sby h ILE 51 N 0.00 1.24 -1.79 0.00 2.04 -0.99 -3.38 117.51 114.63 1sby h ILE 51 Ca -0.00 -0.83 -0.42 0.00 1.00 0.00 0.00 64.86 64.61 1sby h ILE 51 Cb 0.92 0.74 -0.29 0.00 -0.74 0.00 0.00 36.82 37.44 1sby h ILE 51 CO 0.01 0.31 -0.80 -3.20 0.00 0.00 0.00 178.15 174.47 1sby n ASN 52 N -4.43 -1.60 0.19 1.72 2.85 -1.24 -5.00 115.26 107.75 1sby n ASN 52 Ca 0.02 -2.61 0.18 0.00 -0.11 0.00 0.00 54.58 52.06 1sby n ASN 52 Cb 0.21 0.34 0.82 0.00 1.24 0.00 0.00 39.78 42.40 1sby n ASN 52 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1sby h PRO 53 N 5.28 0.00 -0.96 1.20 0.11 -1.75 -0.13 132.00 135.75 1sby h PRO 53 Ca 0.17 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.35 1sby h PRO 53 Cb 0.98 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 1sby h PRO 53 CO 0.24 0.00 0.61 -0.22 -0.21 0.00 0.00 178.00 178.43 1sby h LYS 54 N 0.00 1.08 -6.88 1.05 3.11 -1.95 -3.42 116.57 109.56 1sby h LYS 54 Ca 0.10 -0.07 -0.53 0.00 -2.81 0.00 0.00 60.65 57.34 1sby h LYS 54 Cb 0.63 -0.24 0.09 0.00 -1.00 0.00 0.00 32.23 31.71 1sby h LYS 54 CO -0.00 0.72 0.81 0.08 -2.81 0.00 0.00 179.45 178.25 1sby s VAL 55 N -6.05 2.10 -0.47 2.00 1.01 -0.06 -4.97 120.40 113.96 1sby s VAL 55 Ca -0.13 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 1sby s VAL 55 Cb 0.19 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1sby s VAL 55 CO 0.81 0.02 0.70 0.20 0.00 0.00 0.00 175.10 176.83 1sby s ASN 56 N 0.09 6.32 -0.25 3.32 0.01 -0.75 -4.99 114.94 118.70 1sby s ASN 56 Ca 0.57 -0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 52.22 1sby s ASN 56 Cb -0.47 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 1sby s ASN 56 CO 0.57 -0.88 0.12 -0.63 -1.51 0.00 0.00 177.10 174.77 1sby s ILE 57 N 3.01 4.80 -0.03 0.60 1.01 -1.26 -0.65 121.20 128.69 1sby s ILE 57 Ca 0.23 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.95 1sby s ILE 57 Cb -0.14 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1sby s ILE 57 CO 0.18 0.32 -0.24 0.42 0.00 0.00 0.00 174.94 175.62 1sby s THR 58 N 1.48 1.94 -0.09 2.92 -4.23 -0.50 -4.99 115.64 112.18 1sby s THR 58 Ca 0.06 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1sby s THR 58 Cb -0.15 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1sby s THR 58 CO 0.06 0.55 -0.08 0.12 -0.54 0.00 0.00 174.62 174.73 1sby s PHE 59 N -0.46 2.91 -0.03 3.99 5.36 -1.26 -0.35 117.98 128.15 1sby s PHE 59 Ca 0.06 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 55.93 1sby s PHE 59 Cb -0.11 -1.75 0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1sby s PHE 59 CO 0.00 0.20 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.88 1sby s HIS 60 N -0.50 0.80 0.30 10.12 3.76 0.03 -4.96 115.29 124.83 1sby s HIS 60 Ca 0.07 -0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1sby s HIS 60 Cb -0.12 -0.60 -0.10 0.00 1.11 0.00 0.00 32.58 32.87 1sby s HIS 60 CO 0.02 -0.10 1.24 -0.08 -0.85 0.00 0.00 174.74 174.96 1sby s THR 61 N 0.32 3.04 -0.19 1.30 -1.32 -1.26 -2.58 115.64 114.95 1sby s THR 61 Ca -0.04 1.02 -0.10 0.00 -1.21 0.00 0.00 61.69 61.36 1sby s THR 61 Cb -0.09 -3.65 0.07 0.00 -1.51 0.00 0.00 72.50 67.32 1sby s THR 61 CO 0.00 0.23 0.45 -0.47 -2.21 0.00 0.00 174.62 172.63 1sby s TYR 62 N -0.97 -0.72 -0.31 9.09 5.04 0.01 -4.81 117.35 124.67 1sby s TYR 62 Ca 0.48 1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 56.54 1sby s TYR 62 Cb -0.37 0.33 0.03 0.00 0.35 0.00 0.00 41.96 42.31 1sby s TYR 62 CO 0.47 -0.40 0.06 0.34 -1.34 0.00 0.00 175.55 174.67 1sby s ASP 63 N 1.73 5.05 0.00 4.32 3.68 -1.26 -2.13 116.67 128.06 1sby s ASP 63 Ca -0.08 -1.02 0.10 0.00 2.13 0.00 0.00 52.55 53.68 1sby s ASP 63 Cb -0.09 -1.81 0.44 0.00 -1.45 0.00 0.00 42.92 40.00 1sby s ASP 63 CO -0.14 -0.25 1.28 1.33 0.13 0.00 0.00 175.17 177.52 1sby n VAL 64 N 4.77 1.19 1.49 1.11 0.24 -1.26 -1.96 118.33 123.91 1sby n VAL 64 Ca -0.14 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.58 1sby n VAL 64 Cb 0.46 -1.13 0.49 0.00 -1.47 0.00 0.00 33.84 32.18 1sby n VAL 64 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sby n THR 65 N -1.45 0.11 -1.49 3.34 -2.24 -1.26 -4.39 114.28 106.90 1sby n THR 65 Ca 0.03 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1sby n THR 65 Cb 0.10 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1sby n THR 65 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1sby s VAL 66 N -1.89 3.81 0.80 2.28 -7.23 -0.83 -5.00 120.40 112.33 1sby s VAL 66 Ca 0.34 0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 60.98 1sby s VAL 66 Cb 0.18 -3.25 0.08 0.00 0.56 0.00 0.00 36.38 33.94 1sby s VAL 66 CO 0.28 -0.76 1.14 -2.84 -0.31 0.00 0.00 175.10 172.61 1sby s PRO 67 N -4.97 1.84 0.29 4.82 0.02 -1.26 -4.80 135.00 130.93 1sby s PRO 67 Ca 0.59 1.49 0.03 0.00 0.02 0.00 0.00 61.00 63.14 1sby s PRO 67 Cb -0.15 -1.82 0.69 0.00 0.02 0.00 0.00 34.50 33.23 1sby s PRO 67 CO 0.55 -2.01 1.74 -0.39 -0.33 0.00 0.00 177.00 176.56 1sby h VAL 68 N -1.04 0.63 -0.02 3.83 -1.51 -1.95 -0.82 116.25 115.37 1sby h VAL 68 Ca -0.45 -0.20 -0.06 0.00 -1.23 0.00 0.00 66.70 64.76 1sby h VAL 68 Cb 1.26 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1sby h VAL 68 CO 0.48 0.11 -0.25 0.00 -1.23 0.00 0.00 177.57 176.68 1sby h ALA 69 N 1.64 1.55 -0.29 5.19 0.00 -1.96 -0.03 119.26 125.37 1sby h ALA 69 Ca 0.54 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1sby h ALA 69 Cb 0.90 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sby h ALA 69 CO -0.43 0.34 -0.49 1.49 0.00 0.00 0.00 179.25 180.16 1sby h GLU 70 N 0.03 0.78 -0.65 0.00 4.81 -1.50 -2.06 114.58 116.00 1sby h GLU 70 Ca 0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1sby h GLU 70 Cb 0.46 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1sby h GLU 70 CO 0.03 1.09 0.37 0.77 -0.73 0.00 0.00 179.01 180.55 1sby h SER 71 N 0.62 0.80 -0.82 1.04 0.02 -1.00 -2.51 113.55 111.69 1sby h SER 71 Ca 0.03 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1sby h SER 71 Cb 1.07 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 1sby h SER 71 CO 0.11 0.64 0.54 0.11 -1.14 0.00 0.00 176.83 177.09 1sby h LYS 72 N 0.88 1.04 -0.58 3.45 1.57 -0.86 -0.64 116.57 121.44 1sby h LYS 72 Ca 0.23 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1sby h LYS 72 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1sby h LYS 72 CO -0.04 0.69 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.28 1sby h LYS 73 N 1.07 1.02 -0.23 3.15 3.64 -1.01 0.73 116.57 124.95 1sby h LYS 73 Ca 0.31 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1sby h LYS 73 Cb -0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1sby h LYS 73 CO -0.08 1.02 0.00 1.25 -2.27 0.00 0.00 179.45 179.37 1sby h LEU 74 N 0.93 0.40 -1.00 5.20 5.85 -1.08 -2.51 115.31 123.11 1sby h LEU 74 Ca 0.16 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1sby h LEU 74 Cb 0.57 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1sby h LEU 74 CO 0.03 0.61 0.48 -0.07 -0.34 0.00 0.00 178.44 179.15 1sby h LEU 75 N 0.18 1.05 -0.79 2.25 3.38 -0.92 -1.96 115.31 118.50 1sby h LEU 75 Ca 0.07 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1sby h LEU 75 Cb 0.40 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1sby h LEU 75 CO 0.01 0.83 0.49 0.50 0.09 0.00 0.00 178.44 180.36 1sby h LYS 76 N 1.19 0.89 -0.69 1.13 3.64 -0.73 0.18 116.57 122.18 1sby h LYS 76 Ca 0.30 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1sby h LYS 76 Cb 0.01 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 1sby h LYS 76 CO -0.05 0.59 0.42 -0.22 -2.27 0.00 0.00 179.45 177.91 1sby h LYS 77 N 0.91 0.77 -0.17 1.90 3.11 -0.92 0.88 116.57 123.06 1sby h LYS 77 Ca 0.33 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1sby h LYS 77 Cb 0.11 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1sby h LYS 77 CO -0.15 0.51 -0.07 0.82 -2.81 0.00 0.00 179.45 177.75 1sby h ILE 78 N 0.80 1.30 -0.52 2.00 2.04 -0.72 -2.70 117.51 119.72 1sby h ILE 78 Ca 0.29 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1sby h ILE 78 Cb 0.08 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1sby h ILE 78 CO -0.13 0.33 0.13 -0.26 0.00 0.00 0.00 178.15 178.22 1sby h PHE 79 N 0.03 0.80 -0.12 1.37 -1.00 -0.53 0.36 116.94 117.85 1sby h PHE 79 Ca 0.04 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1sby h PHE 79 Cb 0.54 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1sby h PHE 79 CO 0.06 0.67 -0.11 -0.44 -1.61 0.00 0.00 178.31 176.88 1sby h ASP 80 N 0.76 0.17 0.14 2.17 3.32 -0.75 0.54 116.42 122.77 1sby h ASP 80 Ca 0.17 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 1sby h ASP 80 Cb 0.27 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1sby h ASP 80 CO -0.00 0.31 -1.23 1.56 -1.72 0.00 0.00 179.24 178.15 1sby h GLN 81 N 0.18 0.30 0.00 3.56 1.08 -1.02 -3.38 115.11 115.82 1sby h GLN 81 Ca 0.04 -0.51 -0.13 0.00 -1.45 0.00 0.00 58.65 56.60 1sby h GLN 81 Cb 0.32 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1sby h GLN 81 CO 0.02 1.24 -1.13 -0.07 -0.95 0.00 0.00 178.83 177.95 1sby h LEU 82 N -0.27 0.00 0.00 1.46 3.38 -0.88 -3.48 115.31 115.53 1sby h LEU 82 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sby h LEU 82 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1sby h LEU 82 CO 0.12 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1sby n LYS 83 N -2.94 0.00 -4.23 1.13 4.76 0.19 -4.83 118.16 112.23 1sby n LYS 83 Ca -0.05 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 1sby n LYS 83 Cb 0.77 -0.06 -0.12 0.00 -1.84 0.00 0.00 35.03 33.79 1sby n LYS 83 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1sby s THR 84 N 0.00 1.37 -0.05 -0.18 -4.23 -1.26 -4.91 115.64 106.38 1sby s THR 84 Ca 0.00 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1sby s THR 84 Cb 0.00 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.46 1sby s THR 84 CO 0.00 -0.27 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.04 1sby s VAL 85 N -1.63 0.81 -0.13 2.29 1.01 -1.26 -4.80 120.40 116.68 1sby s VAL 85 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1sby s VAL 85 Cb -0.08 -0.76 -0.24 0.00 0.00 0.00 0.00 36.38 35.30 1sby s VAL 85 CO 0.03 0.28 0.31 0.47 0.00 0.00 0.00 175.10 176.19 1sby n ASP 86 N 3.77 1.84 -3.82 3.32 8.00 0.39 -4.90 116.55 125.16 1sby n ASP 86 Ca -0.23 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1sby n ASP 86 Cb 0.52 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1sby n ASP 86 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sby s ILE 87 N -2.56 -0.01 -0.14 0.53 1.01 -1.14 -3.24 121.20 115.65 1sby s ILE 87 Ca -0.21 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1sby s ILE 87 Cb 0.07 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 1sby s ILE 87 CO 0.76 0.02 -0.10 -0.22 0.00 0.00 0.00 174.94 175.39 1sby s LEU 88 N 0.29 2.85 -0.27 2.97 2.96 -0.36 -1.26 118.68 125.85 1sby s LEU 88 Ca -0.02 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1sby s LEU 88 Cb -0.03 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1sby s LEU 88 CO -0.01 0.15 0.01 -0.63 -1.32 0.00 0.00 176.35 174.55 1sby s ILE 89 N 0.47 3.39 -0.49 6.68 1.01 0.22 -0.81 121.20 131.67 1sby s ILE 89 Ca -0.08 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1sby s ILE 89 Cb -0.15 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1sby s ILE 89 CO 0.04 0.12 0.54 0.20 0.00 0.00 0.00 174.94 175.84 1sby s ASN 90 N 1.40 6.20 0.00 3.58 0.01 -0.32 -0.70 114.94 125.11 1sby s ASN 90 Ca 0.01 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 1sby s ASN 90 Cb -0.17 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1sby s ASN 90 CO -0.01 -0.80 0.87 0.61 -1.51 0.00 0.00 177.10 176.26 1sby n GLY 91 N 5.18 1.82 3.77 0.66 0.00 -0.18 -1.13 105.19 115.31 1sby n GLY 91 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1sby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sby s ALA 92 N -0.75 3.35 -0.19 4.61 0.00 -1.24 -4.75 121.76 122.79 1sby s ALA 92 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1sby s ALA 92 Cb 0.00 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.77 1sby s ALA 92 CO 0.00 -0.71 1.01 0.20 0.00 0.00 0.00 175.76 176.25 1sby s GLY 93 N -0.68 -0.23 0.20 0.00 0.00 -1.26 -4.63 107.32 100.72 1sby s GLY 93 Ca 0.53 2.21 0.08 0.00 0.00 0.00 0.00 44.72 47.54 1sby s GLY 93 CO 0.49 1.26 -0.15 -0.26 0.00 0.00 0.00 173.10 174.44 1sby s ILE 94 N -0.73 1.72 -0.26 0.90 -4.36 -1.26 -5.04 121.20 112.17 1sby s ILE 94 Ca -0.00 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1sby s ILE 94 Cb -0.02 -1.99 0.08 0.00 1.25 0.00 0.00 42.46 41.78 1sby s ILE 94 CO -0.01 -0.56 0.06 -0.22 0.24 0.00 0.00 174.94 174.46 1sby s LEU 95 N -3.20 1.83 -0.33 0.37 0.20 -1.26 -4.94 118.68 111.36 1sby s LEU 95 Ca 0.21 -1.29 -0.04 0.00 0.69 0.00 0.00 54.13 53.70 1sby s LEU 95 Cb -0.01 -0.78 0.19 0.00 -0.43 0.00 0.00 46.19 45.15 1sby s LEU 95 CO 0.07 -0.36 0.90 -0.62 -0.29 0.00 0.00 176.35 176.05 1sby s ASP 96 N 1.70 -0.78 0.00 3.68 -1.08 -1.26 -4.60 116.67 114.33 1sby s ASP 96 Ca 0.04 -0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.09 1sby s ASP 96 Cb -0.17 1.23 0.97 0.00 -1.46 0.00 0.00 42.92 43.48 1sby s ASP 96 CO -0.18 -0.11 1.56 0.47 0.52 0.00 0.00 175.17 177.43 1sby n ASP 97 N 4.56 0.00 0.10 -0.34 9.92 -0.55 -1.25 116.55 128.99 1sby n ASP 97 Ca 0.08 -1.33 0.13 0.00 -0.53 0.00 0.00 54.79 53.14 1sby n ASP 97 Cb 0.59 0.00 0.40 0.00 -0.64 0.00 0.00 41.12 41.47 1sby n ASP 97 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1sby n HIS 98 N -0.78 0.92 -3.60 1.24 8.25 -1.26 -4.42 115.22 115.57 1sby n HIS 98 Ca 0.12 0.27 -0.35 0.00 -0.26 0.00 0.00 57.72 57.50 1sby n HIS 98 Cb 0.06 -0.93 -0.07 0.00 1.12 0.00 0.00 29.99 30.17 1sby n HIS 98 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1sby n GLN 99 N -2.25 2.68 0.20 -0.41 6.02 -0.38 -4.95 117.38 118.28 1sby n GLN 99 Ca 0.06 -4.51 -0.14 0.00 -0.01 0.00 0.00 57.00 52.40 1sby n GLN 99 Cb 0.43 -2.39 -0.08 0.00 1.02 0.00 0.00 30.24 29.22 1sby n GLN 99 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1sby h ILE 100 N 3.94 0.60 -0.60 5.09 2.04 -1.78 -0.68 117.51 126.12 1sby h ILE 100 Ca 0.17 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1sby h ILE 100 Cb 0.77 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1sby h ILE 100 CO 0.88 0.08 0.33 -0.33 0.00 0.00 0.00 178.15 179.11 1sby h GLU 101 N -0.78 0.83 -0.10 2.37 3.07 -1.96 -2.47 114.58 115.54 1sby h GLU 101 Ca -0.05 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.55 1sby h GLU 101 Cb 0.52 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1sby h GLU 101 CO 0.08 0.63 -0.64 -0.09 -1.40 0.00 0.00 179.01 177.59 1sby h ARG 102 N 0.81 0.38 -0.31 2.33 2.43 -1.96 0.53 114.38 118.60 1sby h ARG 102 Ca 0.21 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1sby h ARG 102 Cb 0.03 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1sby h ARG 102 CO -0.03 0.90 0.07 1.15 -1.51 0.00 0.00 179.97 180.55 1sby h THR 103 N 0.28 0.86 -0.39 0.20 2.02 -0.92 -0.52 112.91 114.44 1sby h THR 103 Ca -0.01 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1sby h THR 103 Cb 1.18 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1sby h THR 103 CO 0.11 0.04 -0.12 0.40 0.37 0.00 0.00 175.52 176.32 1sby h ILE 104 N 0.19 1.28 -0.77 3.11 2.04 -1.17 0.17 117.51 122.36 1sby h ILE 104 Ca 0.15 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1sby h ILE 104 Cb 0.15 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1sby h ILE 104 CO -0.18 0.41 0.50 0.00 0.00 0.00 0.00 178.15 178.87 1sby h ALA 105 N 0.83 0.98 0.00 1.87 0.00 -0.64 -1.47 119.26 120.84 1sby h ALA 105 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sby h ALA 105 Cb 0.65 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sby h ALA 105 CO 0.04 0.41 -0.00 0.82 0.00 0.00 0.00 179.25 180.52 1sby h ILE 106 N 1.05 1.55 0.00 0.00 2.04 -1.02 0.14 117.51 121.27 1sby h ILE 106 Ca 0.28 -2.10 -0.13 0.00 1.00 0.00 0.00 64.86 63.90 1sby h ILE 106 Cb -0.10 2.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1sby h ILE 106 CO -0.06 0.51 -0.64 0.78 0.00 0.00 0.00 178.15 178.75 1sby h ASN 107 N -0.97 0.00 0.00 1.72 4.21 -0.99 -3.34 115.58 116.21 1sby h ASN 107 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1sby h ASN 107 Cb 0.85 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1sby h ASN 107 CO 0.00 0.64 -0.00 0.33 -1.29 0.00 0.00 177.43 177.10 1sby n PHE 108 N -3.38 0.00 -0.26 1.19 -0.00 -0.65 -4.60 117.46 109.77 1sby n PHE 108 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1sby n PHE 108 Cb 0.74 -0.00 0.12 0.00 -0.00 0.00 0.00 39.48 40.33 1sby n PHE 108 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1sby h THR 109 N -0.00 0.97 -0.50 -2.13 2.02 -1.38 -1.54 112.91 110.33 1sby h THR 109 Ca 0.00 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1sby h THR 109 Cb 0.00 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1sby h THR 109 CO 0.00 0.14 -0.10 1.23 0.37 0.00 0.00 175.52 177.16 1sby h GLY 110 N 0.75 1.01 0.91 2.16 0.00 -0.82 0.81 103.07 107.88 1sby h GLY 110 Ca 0.33 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1sby h GLY 110 CO -0.19 0.72 0.10 -2.00 0.00 0.00 0.00 176.54 175.17 1sby h LEU 111 N 0.83 0.44 -0.62 3.11 6.46 -1.53 -0.45 115.31 123.56 1sby h LEU 111 Ca 0.14 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1sby h LEU 111 Cb 0.63 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1sby h LEU 111 CO 0.04 0.52 0.35 0.58 -0.62 0.00 0.00 178.44 179.31 1sby h VAL 112 N 0.33 1.00 -0.35 1.05 2.07 -0.91 -2.02 116.25 117.43 1sby h VAL 112 Ca 0.10 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1sby h VAL 112 Cb 0.23 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1sby h VAL 112 CO -0.00 0.12 -0.43 0.78 0.02 0.00 0.00 177.57 178.06 1sby h ASN 113 N 0.66 0.96 -0.72 0.57 2.35 -0.55 0.96 115.58 119.80 1sby h ASN 113 Ca 0.27 -0.46 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1sby h ASN 113 Cb 0.13 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1sby h ASN 113 CO -0.15 1.25 0.30 0.74 -1.65 0.00 0.00 177.43 177.91 1sby h THR 114 N 0.71 1.25 -0.02 2.81 2.02 -0.99 0.24 112.91 118.93 1sby h THR 114 Ca 0.05 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1sby h THR 114 Cb 1.02 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1sby h THR 114 CO 0.10 0.31 0.01 0.74 0.37 0.00 0.00 175.52 177.06 1sby h THR 115 N 1.06 1.07 -0.77 3.16 2.02 -1.18 -0.89 112.91 117.40 1sby h THR 115 Ca 0.25 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1sby h THR 115 Cb 0.20 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1sby h THR 115 CO -0.02 0.06 0.45 0.74 0.37 0.00 0.00 175.52 177.12 1sby h THR 116 N -0.05 1.00 -0.18 3.16 2.02 -0.54 -1.63 112.91 116.68 1sby h THR 116 Ca 0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1sby h THR 116 Cb 0.09 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1sby h THR 116 CO -0.00 0.15 0.08 0.00 0.37 0.00 0.00 175.52 176.11 1sby h ALA 117 N 1.38 0.23 0.00 6.16 0.00 -0.69 -2.94 119.26 123.40 1sby h ALA 117 Ca 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sby h ALA 117 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sby h ALA 117 CO -0.18 -0.18 -0.18 0.97 0.00 0.00 0.00 179.25 179.68 1sby h ILE 118 N 0.14 0.48 0.00 0.00 2.10 -0.77 -1.41 117.51 118.06 1sby h ILE 118 Ca 0.06 -0.92 -0.00 0.00 1.08 0.00 0.00 64.86 65.08 1sby h ILE 118 Cb 0.16 1.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 1sby h ILE 118 CO -0.01 0.17 -0.01 -0.07 -1.08 0.00 0.00 178.15 177.16 1sby h LEU 119 N 0.00 0.00 -2.16 2.19 -0.00 -1.12 -0.03 115.31 114.19 1sby h LEU 119 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1sby h LEU 119 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1sby h LEU 119 CO 0.02 0.01 -0.01 -0.78 -0.00 0.00 0.00 178.44 177.68 1sby h ASP 120 N 0.00 0.00 0.28 -0.43 3.58 -1.29 0.31 116.42 118.87 1sby h ASP 120 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sby h ASP 120 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1sby h ASP 120 CO 0.00 0.01 -1.65 0.49 -2.88 0.00 0.00 179.24 175.21 1sby n PHE 121 N -4.27 0.27 -0.04 0.28 3.01 -0.07 -4.60 117.46 112.03 1sby n PHE 121 Ca -0.03 0.08 -0.03 0.00 1.01 0.00 0.00 57.45 58.47 1sby n PHE 121 Cb 0.09 -0.60 -0.07 0.00 -0.01 0.00 0.00 39.48 38.90 1sby n PHE 121 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1sby n TRP 122 N -2.32 0.00 -1.69 1.38 8.01 -0.91 -4.37 117.44 117.54 1sby n TRP 122 Ca -0.02 0.00 -0.55 0.00 -1.31 0.00 0.00 57.50 55.62 1sby n TRP 122 Cb 0.55 -0.40 -0.07 0.00 -2.01 0.00 0.00 31.31 29.38 1sby n TRP 122 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1sby n ASP 123 N -2.27 2.67 0.28 -0.99 -0.08 0.08 -0.56 116.55 115.68 1sby n ASP 123 Ca -0.13 1.00 0.16 0.00 -1.51 0.00 0.00 54.79 54.31 1sby n ASP 123 Cb 0.72 -1.21 0.81 0.00 2.34 0.00 0.00 41.12 43.79 1sby n ASP 123 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1sby h LYS 124 N 8.14 0.00 0.00 -0.67 2.10 -1.19 -1.00 116.57 123.95 1sby h LYS 124 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1sby h LYS 124 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1sby h LYS 124 CO 0.96 0.07 0.00 0.00 -2.00 0.00 0.00 179.45 178.48 1sby h ARG 125 N 0.00 0.00 -0.39 0.07 3.08 -1.81 -1.88 114.38 113.45 1sby h ARG 125 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sby h ARG 125 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1sby h ARG 125 CO 0.01 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.54 1sby n LYS 126 N -2.71 2.96 -0.44 0.04 5.02 -0.86 -4.95 118.16 117.22 1sby n LYS 126 Ca 0.00 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1sby n LYS 126 Cb 0.22 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1sby n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sby n GLY 127 N 0.45 0.77 3.83 0.72 0.00 -0.71 -5.04 105.19 105.21 1sby n GLY 127 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1sby n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sby s GLY 128 N -1.93 1.62 0.00 -0.02 0.00 -0.43 -4.95 107.32 101.61 1sby s GLY 128 Ca 0.00 -0.31 0.29 0.00 0.00 0.00 0.00 44.72 44.70 1sby s GLY 128 CO 0.00 0.12 1.89 -1.55 0.00 0.00 0.00 173.10 173.56 1sby n PRO 129 N -3.33 1.43 -0.20 2.90 -0.04 -1.21 -4.01 135.00 130.54 1sby n PRO 129 Ca 0.07 -0.62 0.03 0.00 -0.04 0.00 0.00 63.50 62.93 1sby n PRO 129 Cb 0.57 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1sby n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sby n GLY 130 N 1.10 -2.08 0.00 0.55 0.00 0.28 -5.00 105.19 100.04 1sby n GLY 130 Ca 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1sby n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sby n GLY 131 N -1.09 -1.15 2.86 -0.02 0.00 -0.79 -4.83 105.19 100.17 1sby n GLY 131 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1sby n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sby s ILE 132 N -3.00 0.31 -0.12 -0.61 1.01 -1.20 -1.28 121.20 116.31 1sby s ILE 132 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1sby s ILE 132 Cb 0.00 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.12 1sby s ILE 132 CO 0.00 0.16 -0.19 -0.63 0.00 0.00 0.00 174.94 174.28 1sby s ILE 133 N 0.81 1.76 -0.32 2.92 1.01 -0.09 -1.22 121.20 126.07 1sby s ILE 133 Ca -0.09 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1sby s ILE 133 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1sby s ILE 133 CO -0.01 0.49 0.12 0.00 0.00 0.00 0.00 174.94 175.54 1sby s ALA 134 N 0.88 3.12 -0.25 9.38 0.00 0.01 -1.84 121.76 133.07 1sby s ALA 134 Ca -0.07 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 1sby s ALA 134 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1sby s ALA 134 CO -0.01 -1.12 0.14 -0.80 0.00 0.00 0.00 175.76 173.96 1sby s ASN 135 N 1.49 5.76 -0.57 0.00 0.01 -0.68 -1.18 114.94 119.78 1sby s ASN 135 Ca 0.01 -0.03 -0.27 0.00 -0.71 0.00 0.00 52.86 51.86 1sby s ASN 135 Cb -0.18 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.46 1sby s ASN 135 CO 0.04 0.01 1.14 -0.63 -1.51 0.00 0.00 177.10 176.14 1sby s ILE 136 N 1.40 4.10 0.00 0.60 1.01 -0.29 -0.68 121.20 127.35 1sby s ILE 136 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1sby s ILE 136 Cb -0.15 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.64 1sby s ILE 136 CO 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 174.94 173.72 1sby n SER 138 N 0.00 0.00 0.25 0.00 2.88 -1.26 -4.68 113.62 110.81 1sby n SER 138 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1sby n SER 138 Cb 0.00 0.00 0.89 0.00 -0.75 0.00 0.00 64.21 64.35 1sby n SER 138 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1sby h VAL 139 N 1.03 0.32 0.00 2.46 -1.51 -1.62 -0.74 116.25 116.20 1sby h VAL 139 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1sby h VAL 139 Cb 0.00 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1sby h VAL 139 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.05 1sby h THR 140 N 0.00 0.00 0.00 7.19 1.35 -1.85 -0.28 112.91 119.32 1sby h THR 140 Ca 0.06 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1sby h THR 140 Cb 0.43 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1sby h THR 140 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sby n GLY 141 N -0.56 -1.42 0.09 5.82 0.00 -0.28 -3.19 105.19 105.64 1sby n GLY 141 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1sby n GLY 141 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sby h PHE 142 N 0.00 0.00 -3.04 1.61 0.04 -1.21 -3.37 116.94 110.97 1sby h PHE 142 Ca 0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 1sby h PHE 142 Cb 0.49 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 38.29 1sby h PHE 142 CO 0.00 1.11 -0.61 -0.80 -0.60 0.00 0.00 178.31 177.40 1sby s ASN 143 N -6.49 0.67 0.70 2.17 -0.87 -0.96 -5.12 114.94 105.05 1sby s ASN 143 Ca -0.23 0.38 -0.15 0.00 -1.57 0.00 0.00 52.86 51.29 1sby s ASN 143 Cb 0.03 0.36 0.02 0.00 -0.02 0.00 0.00 41.25 41.64 1sby s ASN 143 CO 0.54 -0.24 1.17 0.00 -2.57 0.00 0.00 177.10 175.99 1sby s ALA 144 N 2.32 2.27 -0.73 0.60 0.00 -1.19 -4.04 121.76 120.98 1sby s ALA 144 Ca 0.03 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 1sby s ALA 144 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1sby s ALA 144 CO -0.06 -1.61 1.30 0.42 0.00 0.00 0.00 175.76 175.80 1sby s ILE 145 N -2.11 3.72 -0.44 0.00 1.01 -1.26 -4.92 121.20 117.20 1sby s ILE 145 Ca 0.71 0.42 0.24 0.00 0.00 0.00 0.00 60.65 62.02 1sby s ILE 145 Cb -0.26 -4.88 0.25 0.00 0.01 0.00 0.00 42.46 37.58 1sby s ILE 145 CO 0.43 -1.80 1.71 0.00 0.00 0.00 0.00 174.94 175.28 1sby n HIS 146 N 9.46 0.82 0.65 3.97 1.44 -1.26 -1.48 115.22 128.82 1sby n HIS 146 Ca 0.04 0.33 0.13 0.00 -2.01 0.00 0.00 57.72 56.21 1sby n HIS 146 Cb 0.49 -1.04 0.45 0.00 0.12 0.00 0.00 29.99 30.01 1sby n HIS 146 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1sby n GLN 147 N -2.26 0.20 -3.22 -1.40 3.00 -1.26 -3.41 117.38 109.03 1sby n GLN 147 Ca 0.02 0.21 -0.26 0.00 -0.01 0.00 0.00 57.00 56.96 1sby n GLN 147 Cb 0.21 -1.75 -0.06 0.00 0.00 0.00 0.00 30.24 28.63 1sby n GLN 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1sby n VAL 148 N -2.10 2.13 0.18 5.09 0.24 -0.55 -2.32 118.33 120.99 1sby n VAL 148 Ca 0.05 -5.18 0.04 0.00 -2.04 0.00 0.00 64.34 57.21 1sby n VAL 148 Cb 0.37 -1.73 0.43 0.00 -1.47 0.00 0.00 33.84 31.45 1sby n VAL 148 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1sby h PRO 149 N 3.68 0.07 0.02 7.34 0.13 -1.62 -1.19 132.00 140.43 1sby h PRO 149 Ca 0.16 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1sby h PRO 149 Cb 0.65 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1sby h PRO 149 CO 0.77 0.29 -0.01 0.28 -0.23 0.00 0.00 178.00 179.10 1sby h VAL 150 N 0.07 1.49 -0.49 1.56 2.07 -1.92 -1.16 116.25 117.87 1sby h VAL 150 Ca 0.01 -1.70 0.09 0.00 0.82 0.00 0.00 66.70 65.92 1sby h VAL 150 Cb 0.42 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 32.69 1sby h VAL 150 CO 0.03 0.43 -0.34 0.22 0.02 0.00 0.00 177.57 177.93 1sby h TYR 151 N -0.78 -0.95 -0.84 1.57 3.20 -1.92 -0.23 116.97 117.03 1sby h TYR 151 Ca -0.00 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1sby h TYR 151 Cb 0.72 0.49 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 1sby h TYR 151 CO 0.18 -0.39 0.39 0.77 -1.64 0.00 0.00 178.16 177.47 1sby h SER 152 N -0.22 1.11 -0.58 -2.11 0.02 -1.22 -1.81 113.55 108.74 1sby h SER 152 Ca 0.19 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1sby h SER 152 Cb 0.55 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1sby h SER 152 CO -0.60 0.94 0.13 0.00 -1.14 0.00 0.00 176.83 176.16 1sby h ALA 153 N 1.21 1.07 -0.47 3.77 0.00 -0.83 0.02 119.26 124.04 1sby h ALA 153 Ca 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sby h ALA 153 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1sby h ALA 153 CO -0.03 0.61 0.17 0.66 0.00 0.00 0.00 179.25 180.65 1sby h SER 154 N 0.92 0.61 0.19 0.00 4.64 -0.34 -1.13 113.55 118.45 1sby h SER 154 Ca 0.19 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.23 1sby h SER 154 Cb 0.36 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sby h SER 154 CO 0.00 0.57 -0.83 0.11 -0.87 0.00 0.00 176.83 175.82 1sby h LYS 155 N 0.67 0.50 -0.96 4.77 1.79 -0.65 -2.64 116.57 120.04 1sby h LYS 155 Ca 0.16 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 58.21 1sby h LYS 155 Cb 0.16 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 1sby h LYS 155 CO -0.01 1.09 0.63 0.00 -1.08 0.00 0.00 179.45 180.07 1sby h ALA 156 N 0.77 1.28 -0.30 3.86 0.00 -0.58 -0.91 119.26 123.38 1sby h ALA 156 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sby h ALA 156 Cb 1.44 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1sby h ALA 156 CO 0.15 0.51 0.18 0.00 0.00 0.00 0.00 179.25 180.08 1sby h ALA 157 N 1.40 0.38 0.00 0.00 0.00 -1.08 -2.12 119.26 117.83 1sby h ALA 157 Ca 0.38 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1sby h ALA 157 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sby h ALA 157 CO -0.12 -0.19 -0.58 -0.39 0.00 0.00 0.00 179.25 177.96 1sby h VAL 158 N 0.36 1.19 -0.33 0.00 -1.51 -1.10 0.14 116.25 115.00 1sby h VAL 158 Ca 0.12 -2.17 0.02 0.00 -1.23 0.00 0.00 66.70 63.44 1sby h VAL 158 Cb 0.00 2.25 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1sby h VAL 158 CO -0.06 0.57 0.18 0.58 -1.23 0.00 0.00 177.57 177.62 1sby h VAL 159 N 0.00 1.02 0.25 7.19 2.07 -1.04 -1.22 116.25 124.52 1sby h VAL 159 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1sby h VAL 159 Cb 1.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1sby h VAL 159 CO 0.08 0.07 -0.12 -1.28 0.02 0.00 0.00 177.57 176.33 1sby h SER 160 N 0.38 -0.28 -0.81 0.57 0.87 -1.09 -1.79 113.55 111.39 1sby h SER 160 Ca 0.13 -0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 1sby h SER 160 Cb 0.02 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 61.96 1sby h SER 160 CO -0.07 -0.16 0.41 0.15 -0.53 0.00 0.00 176.83 176.64 1sby h PHE 161 N -0.39 0.73 -0.44 2.24 3.57 -0.87 -1.11 116.94 120.67 1sby h PHE 161 Ca -0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1sby h PHE 161 Cb 0.30 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1sby h PHE 161 CO -0.05 0.21 -0.02 1.15 -2.23 0.00 0.00 178.31 177.37 1sby h THR 162 N 0.63 1.26 -0.82 4.41 2.02 -1.05 -0.02 112.91 119.35 1sby h THR 162 Ca 0.43 -1.08 0.10 0.00 0.77 0.00 0.00 66.41 66.63 1sby h THR 162 Cb 0.55 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1sby h THR 162 CO -0.33 0.37 0.46 0.78 0.37 0.00 0.00 175.52 177.17 1sby h ASN 163 N 0.63 0.64 -0.32 4.18 -0.26 -0.42 -1.87 115.58 118.15 1sby h ASN 163 Ca 0.12 0.05 -0.17 0.00 -0.56 0.00 0.00 56.30 55.75 1sby h ASN 163 Cb 0.53 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1sby h ASN 163 CO 0.03 0.35 -0.45 0.28 -1.06 0.00 0.00 177.43 176.58 1sby h SER 164 N 0.75 0.97 -0.57 5.81 0.02 -0.81 -2.62 113.55 117.10 1sby h SER 164 Ca 0.40 -0.47 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1sby h SER 164 Cb 0.40 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 1sby h SER 164 CO -0.26 1.27 0.25 -0.07 -1.14 0.00 0.00 176.83 176.87 1sby h LEU 165 N 0.71 0.31 -1.00 5.07 3.38 -0.62 -1.20 115.31 121.96 1sby h LEU 165 Ca 0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1sby h LEU 165 Cb 1.04 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1sby h LEU 165 CO 0.10 0.20 0.66 0.00 0.09 0.00 0.00 178.44 179.50 1sby h ALA 166 N 1.35 1.27 0.00 1.53 0.00 -1.18 -1.58 119.26 120.65 1sby h ALA 166 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sby h ALA 166 Cb 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sby h ALA 166 CO -0.23 0.66 -0.06 0.87 0.00 0.00 0.00 179.25 180.48 1sby h LYS 167 N 1.36 0.00 -0.00 0.00 1.57 -0.93 -2.75 116.57 115.82 1sby h LYS 167 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1sby h LYS 167 Cb -0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1sby h LYS 167 CO -0.08 0.06 -0.25 1.28 -0.57 0.00 0.00 179.45 179.89 1sby n LEU 168 N -3.19 0.36 -0.34 2.94 4.77 -0.55 -4.38 117.00 116.60 1sby n LEU 168 Ca 0.00 0.15 0.19 0.00 -0.03 0.00 0.00 56.01 56.32 1sby n LEU 168 Cb 0.33 -0.31 0.40 0.00 -2.33 0.00 0.00 43.42 41.51 1sby n LEU 168 CO 0.29 0.08 1.16 0.00 -1.33 0.00 0.00 177.39 177.59 1sby h ALA 169 N 3.15 1.83 -0.07 -1.18 0.00 -1.14 0.53 119.26 122.37 1sby h ALA 169 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sby h ALA 169 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sby h ALA 169 CO 0.00 -0.32 0.06 -1.35 0.00 0.00 0.00 179.25 177.64 1sby h PRO 170 N 0.54 0.00 0.06 0.00 0.11 -1.83 0.91 132.00 131.80 1sby h PRO 170 Ca 0.66 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.50 1sby h PRO 170 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1sby h PRO 170 CO -0.49 0.00 -1.47 0.82 -0.21 0.00 0.00 178.00 176.65 1sby h ILE 171 N 0.00 0.89 0.00 4.15 2.04 -1.25 -3.41 117.51 119.93 1sby h ILE 171 Ca 0.03 -2.28 -0.05 0.00 1.00 0.00 0.00 64.86 63.55 1sby h ILE 171 Cb 0.15 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1sby h ILE 171 CO -0.00 0.58 -1.72 0.35 0.00 0.00 0.00 178.15 177.36 1sby n THR 172 N -4.05 0.42 -1.01 -0.27 -2.24 -0.72 -4.42 114.28 102.00 1sby n THR 172 Ca -0.30 -0.57 -0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1sby n THR 172 Cb 0.83 -0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1sby n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sby n GLY 173 N 1.30 0.47 2.99 3.38 0.00 0.31 -0.98 105.19 112.65 1sby n GLY 173 Ca -0.07 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1sby n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sby s VAL 174 N -1.99 1.96 0.56 1.61 1.01 -1.26 -1.88 120.40 120.41 1sby s VAL 174 Ca 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.10 1sby s VAL 174 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1sby s VAL 174 CO 0.00 -0.34 0.88 0.42 0.00 0.00 0.00 175.10 176.06 1sby s THR 175 N 1.13 4.12 0.05 3.92 -4.23 -0.40 -3.94 115.64 116.29 1sby s THR 175 Ca 0.02 0.13 -0.24 0.00 -1.18 0.00 0.00 61.69 60.42 1sby s THR 175 Cb -0.19 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.10 1sby s THR 175 CO -0.08 -0.64 0.57 0.00 -0.54 0.00 0.00 174.62 173.93 1sby s ALA 176 N -2.93 -1.47 0.09 3.99 0.00 -1.26 -0.91 121.76 119.27 1sby s ALA 176 Ca 0.52 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 1sby s ALA 176 Cb -0.10 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1sby s ALA 176 CO 0.46 -0.53 0.40 1.52 0.00 0.00 0.00 175.76 177.60 1sby s TYR 177 N -2.48 -0.21 -0.04 0.00 -0.85 -0.76 -0.20 117.35 112.81 1sby s TYR 177 Ca -0.05 0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 1sby s TYR 177 Cb -0.01 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1sby s TYR 177 CO -0.02 -0.64 0.07 -1.54 -1.52 0.00 0.00 175.55 171.91 1sby s SER 178 N -2.47 5.70 -0.24 -0.18 1.04 -0.70 -1.68 113.70 115.16 1sby s SER 178 Ca -0.00 0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 1sby s SER 178 Cb 0.01 -1.67 -0.00 0.00 0.10 0.00 0.00 66.02 64.46 1sby s SER 178 CO -0.08 0.32 -0.02 -0.63 0.98 0.00 0.00 173.24 173.81 1sby s ILE 179 N -1.10 3.44 -0.51 -1.02 -1.09 0.14 -1.24 121.20 119.82 1sby s ILE 179 Ca 0.20 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 1sby s ILE 179 Cb -0.12 -2.63 0.14 0.00 -1.58 0.00 0.00 42.46 38.26 1sby s ILE 179 CO 0.10 0.32 0.29 0.20 -1.23 0.00 0.00 174.94 174.61 1sby s ASN 180 N 1.46 4.07 0.41 3.58 0.01 0.48 -0.49 114.94 124.47 1sby s ASN 180 Ca 0.04 -3.00 -0.25 0.00 -0.71 0.00 0.00 52.86 48.95 1sby s ASN 180 Cb -0.15 -1.40 -0.08 0.00 0.41 0.00 0.00 41.25 40.03 1sby s ASN 180 CO -0.02 -0.22 1.18 -2.84 -1.51 0.00 0.00 177.10 173.69 1sby s PRO 181 N -0.22 3.98 0.00 -0.60 0.02 -1.26 -1.31 135.00 135.61 1sby s PRO 181 Ca 0.19 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1sby s PRO 181 Cb -0.22 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1sby s PRO 181 CO -0.03 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1sby n GLY 182 N 0.60 -1.16 3.69 0.52 0.00 0.37 -2.26 105.19 106.95 1sby n GLY 182 Ca 0.05 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1sby n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sby s ILE 183 N -0.62 3.54 -0.06 -0.61 -1.09 -1.26 -4.96 121.20 116.14 1sby s ILE 183 Ca 0.00 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 1sby s ILE 183 Cb 0.00 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1sby s ILE 183 CO 0.00 0.01 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.73 1sby s THR 184 N 2.23 0.95 -0.67 2.92 2.01 -1.26 -2.01 115.64 119.80 1sby s THR 184 Ca 0.66 -0.37 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 1sby s THR 184 Cb -0.34 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1sby s THR 184 CO 0.28 0.31 1.69 -0.13 -0.69 0.00 0.00 174.62 176.08 1sby s ARG 185 N 0.71 2.81 0.24 4.92 0.52 -0.08 -4.82 118.95 123.25 1sby s ARG 185 Ca -0.13 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1sby s ARG 185 Cb -0.15 -4.39 -0.01 0.00 0.52 0.00 0.00 34.95 30.92 1sby s ARG 185 CO 0.03 -2.59 0.26 0.25 0.02 0.00 0.00 175.30 173.26 1sby n THR 186 N 7.00 0.00 0.88 0.02 -2.24 -1.26 -4.03 114.28 114.65 1sby n THR 186 Ca 0.17 -1.54 0.10 0.00 -2.27 0.00 0.00 64.05 60.51 1sby n THR 186 Cb 0.51 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 1sby n THR 186 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1sby n PRO 187 N -0.43 0.29 -0.19 -0.78 -0.05 -1.26 -4.24 135.00 128.33 1sby n PRO 187 Ca 0.04 -0.02 0.16 0.00 -0.05 0.00 0.00 63.50 63.63 1sby n PRO 187 Cb 0.42 -1.47 0.50 0.00 -0.05 0.00 0.00 33.50 32.90 1sby n PRO 187 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1sby h LEU 188 N 0.00 0.41 -2.74 1.53 5.85 -1.98 0.23 115.31 118.62 1sby h LEU 188 Ca 0.00 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1sby h LEU 188 Cb 0.52 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 1sby h LEU 188 CO 0.00 0.20 0.15 1.33 -0.34 0.00 0.00 178.44 179.78 1sby n VAL 189 N -4.49 1.86 0.00 1.05 0.24 -1.26 -4.69 118.33 111.03 1sby n VAL 189 Ca 0.16 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 1sby n VAL 189 Cb 0.57 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1sby n VAL 189 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1sby n HIS 190 N 0.04 0.00 -4.26 6.34 -0.00 0.82 -4.68 115.22 113.48 1sby n HIS 190 Ca 0.23 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.69 1sby n HIS 190 Cb 0.95 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.77 1sby n HIS 190 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1sby s THR 191 N -0.16 1.21 0.17 3.57 -4.23 -1.26 -4.66 115.64 110.28 1sby s THR 191 Ca 0.00 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1sby s THR 191 Cb 0.00 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1sby s THR 191 CO 0.00 0.39 0.03 0.72 -0.54 0.00 0.00 174.62 175.22 1sby s PHE 192 N 1.19 1.16 -0.16 3.99 -0.12 -1.26 -5.05 117.98 117.73 1sby s PHE 192 Ca -0.04 -1.11 -0.19 0.00 -0.05 0.00 0.00 56.93 55.55 1sby s PHE 192 Cb -0.14 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 1sby s PHE 192 CO -0.03 -0.32 0.51 -0.80 -0.05 0.00 0.00 175.22 174.53 1sby s ASN 193 N -3.16 6.64 0.43 1.98 0.01 -1.26 -4.72 114.94 114.87 1sby s ASN 193 Ca 0.26 0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 53.10 1sby s ASN 193 Cb 0.07 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1sby s ASN 193 CO 0.05 -0.09 0.77 -0.94 -1.51 0.00 0.00 177.10 175.37 1sby s SER 194 N 0.89 6.39 0.08 -1.22 1.04 -1.26 -1.49 113.70 118.13 1sby s SER 194 Ca 0.26 1.01 -0.31 0.00 0.48 0.00 0.00 55.95 57.39 1sby s SER 194 Cb -0.15 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 1sby s SER 194 CO 0.10 -0.47 1.67 0.86 0.98 0.00 0.00 173.24 176.38 1sby s TRP 195 N -2.53 2.39 -1.05 5.02 -0.00 -0.98 -2.06 118.94 119.73 1sby s TRP 195 Ca 0.49 0.28 -0.04 0.00 -0.00 0.00 0.00 56.10 56.83 1sby s TRP 195 Cb -0.10 -3.99 0.03 0.00 -0.00 0.00 0.00 33.47 29.41 1sby s TRP 195 CO 0.38 -3.99 0.21 1.28 -0.00 0.00 0.00 176.95 174.83 1sby n LEU 196 N 5.59 -1.22 -3.57 5.86 4.77 -1.26 -1.50 117.00 125.67 1sby n LEU 196 Ca 0.16 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.85 1sby n LEU 196 Cb 0.40 -2.04 0.01 0.00 -2.33 0.00 0.00 43.42 39.46 1sby n LEU 196 CO 0.63 0.00 0.01 0.47 -1.33 0.00 0.00 177.39 177.18 1sby n ASP 197 N -1.98 -4.28 0.26 -1.43 8.00 -0.87 -4.86 116.55 111.39 1sby n ASP 197 Ca -0.08 -0.55 0.09 0.00 0.71 0.00 0.00 54.79 54.96 1sby n ASP 197 Cb 0.57 -3.48 0.68 0.00 -0.02 0.00 0.00 41.12 38.87 1sby n ASP 197 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1sby h VAL 198 N -1.39 0.87 -1.79 2.53 -1.51 -1.49 -3.38 116.25 110.10 1sby h VAL 198 Ca -0.50 -0.24 -0.28 0.00 -1.23 0.00 0.00 66.70 64.45 1sby h VAL 198 Cb 1.33 1.14 -0.29 0.00 -2.13 0.00 0.00 31.29 31.34 1sby h VAL 198 CO 0.60 0.06 -0.62 -0.70 -1.23 0.00 0.00 177.57 175.69 1sby s GLU 199 N -4.74 0.58 0.44 5.19 2.56 -1.26 -5.02 118.70 116.45 1sby s GLU 199 Ca -0.04 -0.49 0.28 0.00 0.00 0.00 0.00 54.97 54.71 1sby s GLU 199 Cb 0.16 -0.51 1.50 0.00 2.00 0.00 0.00 34.13 37.28 1sby s GLU 199 CO 0.64 -1.14 1.83 -1.35 -0.56 0.00 0.00 175.26 174.68 1sby h PRO 200 N 7.42 0.00 -0.33 4.30 0.11 -1.92 -3.24 132.00 138.34 1sby h PRO 200 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 1sby h PRO 200 Cb 1.09 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 1sby h PRO 200 CO 0.22 0.00 -0.54 0.54 -0.21 0.00 0.00 178.00 178.00 1sby n ARG 201 N -2.51 2.36 -0.23 1.05 1.74 -1.26 -4.83 116.66 112.99 1sby n ARG 201 Ca -0.02 -3.60 -0.02 0.00 -0.77 0.00 0.00 57.85 53.44 1sby n ARG 201 Cb 0.10 -1.89 0.10 0.00 -1.02 0.00 0.00 32.46 29.75 1sby n ARG 201 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1sby h VAL 202 N 1.42 0.96 0.12 1.55 -1.51 -1.84 -0.80 116.25 116.16 1sby h VAL 202 Ca 0.17 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1sby h VAL 202 Cb 1.26 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1sby h VAL 202 CO 0.35 0.12 -0.06 0.00 -1.23 0.00 0.00 177.57 176.75 1sby h ALA 203 N 1.35 -0.17 -0.64 5.19 0.00 -1.85 0.90 119.26 124.04 1sby h ALA 203 Ca 0.30 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1sby h ALA 203 Cb 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1sby h ALA 203 CO -0.18 -0.57 0.26 0.93 0.00 0.00 0.00 179.25 179.69 1sby h GLU 204 N -0.22 0.43 -0.40 0.00 3.07 -1.75 -1.78 114.58 113.92 1sby h GLU 204 Ca -0.02 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1sby h GLU 204 Cb 0.18 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1sby h GLU 204 CO 0.03 0.29 0.00 -0.07 -1.40 0.00 0.00 179.01 177.86 1sby h LEU 205 N 0.45 0.69 -1.10 1.33 3.38 -0.79 -2.89 115.31 116.38 1sby h LEU 205 Ca 0.32 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sby h LEU 205 Cb 0.39 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1sby h LEU 205 CO -0.31 0.82 0.61 -0.07 0.09 0.00 0.00 178.44 179.58 1sby h LEU 206 N 0.53 1.04 -0.40 1.67 3.38 -0.46 -0.92 115.31 120.16 1sby h LEU 206 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sby h LEU 206 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sby h LEU 206 CO 0.02 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1sby n LEU 207 N -4.41 0.58 -1.17 1.67 4.77 -0.70 -3.08 117.00 114.67 1sby n LEU 207 Ca 0.11 -0.28 0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1sby n LEU 207 Cb 0.04 -0.06 0.24 0.00 -2.33 0.00 0.00 43.42 41.30 1sby n LEU 207 CO 0.36 0.14 0.67 -1.20 -1.33 0.00 0.00 177.39 176.03 1sby n SER 208 N -0.24 3.38 -4.13 -1.43 7.64 -0.35 -4.90 113.62 113.59 1sby n SER 208 Ca 0.07 -2.32 -0.10 0.00 1.01 0.00 0.00 58.87 57.53 1sby n SER 208 Cb 0.11 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 1sby n SER 208 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1sby s HIS 209 N -1.77 0.76 0.31 1.43 3.76 -1.18 -5.11 115.29 113.49 1sby s HIS 209 Ca 0.34 -0.87 -0.28 0.00 -0.15 0.00 0.00 55.06 54.10 1sby s HIS 209 Cb 0.22 -0.46 -0.13 0.00 1.11 0.00 0.00 32.58 33.32 1sby s HIS 209 CO 0.16 -0.19 1.20 -2.30 -0.85 0.00 0.00 174.74 172.77 1sby n PRO 210 N 0.27 1.82 -1.88 8.40 -0.02 -1.26 -5.00 135.00 137.33 1sby n PRO 210 Ca -0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1sby n PRO 210 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1sby n PRO 210 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sby n THR 211 N 0.51 0.00 -4.27 3.45 -2.24 -1.26 -4.93 114.28 105.53 1sby n THR 211 Ca 0.07 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1sby n THR 211 Cb 0.34 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.47 1sby n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sby s GLN 212 N -1.83 1.26 0.41 -0.78 -2.07 -0.85 -4.66 119.66 111.15 1sby s GLN 212 Ca 0.00 -1.65 -0.06 0.00 -1.82 0.00 0.00 55.36 51.82 1sby s GLN 212 Cb 0.00 -0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 31.66 1sby s GLN 212 CO 0.00 -0.24 0.72 -0.08 -1.32 0.00 0.00 175.29 174.38 1sby s THR 213 N -3.75 4.90 0.20 3.63 -1.32 -1.26 -0.90 115.64 117.14 1sby s THR 213 Ca 0.32 0.26 0.24 0.00 -1.21 0.00 0.00 61.69 61.31 1sby s THR 213 Cb 0.07 -3.80 0.24 0.00 -1.51 0.00 0.00 72.50 67.50 1sby s THR 213 CO 0.09 -0.63 1.88 0.77 -2.21 0.00 0.00 174.62 174.52 1sby h SER 214 N 0.85 0.00 -0.14 8.08 4.64 -1.91 -1.55 113.55 123.52 1sby h SER 214 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1sby h SER 214 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1sby h SER 214 CO 0.63 0.21 0.05 -0.08 -0.87 0.00 0.00 176.83 176.77 1sby h GLU 215 N 0.00 0.21 -0.25 4.77 4.81 -1.93 0.26 114.58 122.45 1sby h GLU 215 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1sby h GLU 215 Cb 0.66 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1sby h GLU 215 CO 0.03 0.32 -0.09 1.96 -0.73 0.00 0.00 179.01 180.50 1sby h GLN 216 N 0.06 -0.04 -0.56 1.92 4.20 -1.91 -1.25 115.11 117.53 1sby h GLN 216 Ca 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1sby h GLN 216 Cb 0.19 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1sby h GLN 216 CO -0.00 -0.03 0.35 0.00 -0.67 0.00 0.00 178.83 178.48 1sby h GLY 218 N 0.76 1.15 0.94 0.00 0.00 -0.63 0.11 103.07 105.40 1sby h GLY 218 Ca 0.20 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1sby h GLY 218 CO -0.04 0.61 0.24 1.46 0.00 0.00 0.00 176.54 178.81 1sby h GLN 219 N 1.04 0.48 -0.08 4.80 4.20 -1.01 -1.81 115.11 122.73 1sby h GLN 219 Ca 0.23 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1sby h GLN 219 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1sby h GLN 219 CO -0.01 0.32 -0.55 -0.91 -0.67 0.00 0.00 178.83 177.00 1sby h ASN 220 N 0.50 0.25 -0.29 1.46 2.35 -0.87 -2.31 115.58 116.66 1sby h ASN 220 Ca 0.15 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1sby h ASN 220 Cb -0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1sby h ASN 220 CO -0.06 0.75 0.15 0.15 -1.65 0.00 0.00 177.43 176.77 1sby h PHE 221 N 0.17 0.27 -0.17 1.19 -0.00 -0.52 -0.44 116.94 117.45 1sby h PHE 221 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 57.97 57.86 1sby h PHE 221 Cb 1.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 36.88 1sby h PHE 221 CO 0.02 0.15 -0.42 0.28 -0.00 0.00 0.00 178.31 178.34 1sby h VAL 222 N 0.31 1.31 -0.77 1.41 2.07 -1.19 -1.32 116.25 118.07 1sby h VAL 222 Ca 0.12 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.10 1sby h VAL 222 Cb 0.03 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1sby h VAL 222 CO -0.08 0.48 0.48 0.11 0.02 0.00 0.00 177.57 178.59 1sby h LYS 223 N 0.33 0.91 -0.65 1.57 1.57 -1.01 -0.14 116.57 119.15 1sby h LYS 223 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1sby h LYS 223 Cb 0.88 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1sby h LYS 223 CO 0.07 0.60 0.26 0.00 -0.57 0.00 0.00 179.45 179.82 1sby h ALA 224 N 1.33 0.85 -0.59 3.86 0.00 -0.58 -0.77 119.26 123.36 1sby h ALA 224 Ca 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1sby h ALA 224 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1sby h ALA 224 CO -0.12 0.46 0.28 0.82 0.00 0.00 0.00 179.25 180.69 1sby h ILE 225 N 0.92 1.21 -0.26 0.00 2.04 -0.72 -2.45 117.51 118.25 1sby h ILE 225 Ca 0.22 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1sby h ILE 225 Cb 0.20 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1sby h ILE 225 CO -0.02 0.24 -0.08 -0.33 0.00 0.00 0.00 178.15 177.96 1sby h GLU 226 N 0.81 0.42 -0.47 2.37 5.08 -0.67 -2.37 114.58 119.74 1sby h GLU 226 Ca 0.20 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1sby h GLU 226 Cb 0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sby h GLU 226 CO -0.03 0.51 0.10 0.00 -1.00 0.00 0.00 179.01 178.59 1sby h ALA 227 N 1.52 1.29 -6.14 3.43 0.00 -0.78 0.63 119.26 119.21 1sby h ALA 227 Ca 0.08 -0.19 -0.42 0.00 0.00 0.00 0.00 54.91 54.38 1sby h ALA 227 Cb 0.40 -0.20 0.08 0.00 0.00 0.00 0.00 17.79 18.07 1sby h ALA 227 CO 0.02 0.50 -0.91 -1.71 0.00 0.00 0.00 179.25 177.15 1sby n ASN 228 N -4.29 -4.23 -4.36 0.00 4.05 -0.89 -4.61 115.26 100.93 1sby n ASN 228 Ca 0.03 -0.95 -0.40 0.00 0.45 0.00 0.00 54.58 53.71 1sby n ASN 228 Cb 0.22 -3.67 -0.11 0.00 1.23 0.00 0.00 39.78 37.45 1sby n ASN 228 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1sby s LYS 229 N -5.86 2.78 0.25 1.20 -0.14 -1.26 -4.90 119.74 111.81 1sby s LYS 229 Ca 0.34 -1.12 -0.31 0.00 -1.36 0.00 0.00 55.97 53.52 1sby s LYS 229 Cb -0.11 -3.71 -0.12 0.00 -1.68 0.00 0.00 37.83 32.21 1sby s LYS 229 CO 0.84 -0.72 1.64 -1.71 -0.76 0.00 0.00 175.35 174.65 1sby n ASN 230 N 4.97 3.81 0.00 2.83 5.15 -1.26 -1.71 115.26 129.05 1sby n ASN 230 Ca -0.12 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 1sby n ASN 230 Cb 0.46 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1sby n ASN 230 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sby n GLY 231 N 3.00 0.96 3.75 8.20 0.00 0.73 -4.98 105.19 116.85 1sby n GLY 231 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1sby n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sby s ALA 232 N -3.87 2.74 -0.46 4.61 0.00 -0.70 -4.90 121.76 119.18 1sby s ALA 232 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1sby s ALA 232 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.73 1sby s ALA 232 CO 0.00 -1.24 0.20 0.42 0.00 0.00 0.00 175.76 175.14 1sby s ILE 233 N -1.41 2.37 -0.17 0.00 1.01 -1.26 -1.72 121.20 120.01 1sby s ILE 233 Ca 0.73 -2.95 -0.20 0.00 0.00 0.00 0.00 60.65 58.23 1sby s ILE 233 Cb -0.36 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1sby s ILE 233 CO 0.42 -0.75 0.58 0.26 0.00 0.00 0.00 174.94 175.45 1sby s TRP 234 N 0.13 3.41 -0.22 3.97 0.52 -0.37 -0.69 118.94 125.69 1sby s TRP 234 Ca 0.15 0.91 -0.14 0.00 0.02 0.00 0.00 56.10 57.04 1sby s TRP 234 Cb -0.24 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 1sby s TRP 234 CO -0.03 -0.08 0.34 0.21 0.02 0.00 0.00 176.95 177.41 1sby s LYS 235 N 1.54 4.12 -0.69 4.98 2.20 0.70 -0.39 119.74 132.20 1sby s LYS 235 Ca 0.28 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 1sby s LYS 235 Cb -0.16 -3.56 0.17 0.00 -1.51 0.00 0.00 37.83 32.77 1sby s LYS 235 CO 0.11 -0.07 0.49 -0.51 -0.36 0.00 0.00 175.35 175.01 1sby s LEU 236 N 1.41 4.93 -0.00 5.43 1.02 -0.43 -1.43 118.68 129.60 1sby s LEU 236 Ca 0.16 -3.45 0.01 0.00 0.02 0.00 0.00 54.13 50.86 1sby s LEU 236 Cb -0.15 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.33 1sby s LEU 236 CO 0.08 -0.19 -0.03 -0.62 0.02 0.00 0.00 176.35 175.61 1sby s ASP 237 N -0.53 0.37 -1.27 2.29 2.15 -1.07 -0.48 116.67 118.13 1sby s ASP 237 Ca 0.22 -0.05 -0.06 0.00 0.43 0.00 0.00 52.55 53.09 1sby s ASP 237 Cb -0.13 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.47 1sby s ASP 237 CO -0.09 0.03 0.38 0.18 -0.17 0.00 0.00 175.17 175.49 1sby n LEU 238 N 3.10 -1.63 0.00 -1.34 4.77 -1.26 -1.71 117.00 118.93 1sby n LEU 238 Ca -0.14 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1sby n LEU 238 Cb 0.58 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1sby n LEU 238 CO 0.25 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1sby n GLY 239 N -1.13 0.80 3.71 -0.72 0.00 -1.26 -4.99 105.19 101.60 1sby n GLY 239 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1sby n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sby s THR 240 N -3.10 3.09 -0.19 2.61 -4.23 -0.69 -4.96 115.64 108.16 1sby s THR 240 Ca 0.00 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1sby s THR 240 Cb 0.00 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1sby s THR 240 CO 0.00 -0.22 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.55 1sby s LEU 241 N -3.81 2.69 -0.02 4.79 2.96 -1.26 -2.61 118.68 121.42 1sby s LEU 241 Ca 0.36 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1sby s LEU 241 Cb -0.03 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.03 1sby s LEU 241 CO 0.22 0.03 0.00 -0.70 -1.32 0.00 0.00 176.35 174.58 1sby s GLU 242 N 1.16 0.20 -0.14 1.98 2.12 -0.52 -5.00 118.70 118.49 1sby s GLU 242 Ca 0.01 0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.14 1sby s GLU 242 Cb -0.14 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 1sby s GLU 242 CO -0.03 -0.10 0.89 0.00 -0.54 0.00 0.00 175.26 175.48 1sby s ALA 243 N 0.77 3.47 0.20 6.30 0.00 -1.26 -0.21 121.76 131.03 1sby s ALA 243 Ca -0.07 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1sby s ALA 243 Cb -0.10 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1sby s ALA 243 CO -0.02 -0.61 0.59 0.42 0.00 0.00 0.00 175.76 176.13 1sby s ILE 244 N 2.06 4.84 -0.30 0.00 1.01 0.13 -4.96 121.20 123.98 1sby s ILE 244 Ca 0.42 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.68 1sby s ILE 244 Cb -0.17 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1sby s ILE 244 CO 0.14 0.08 0.32 -1.61 0.00 0.00 0.00 174.94 173.87 1sby s GLU 245 N -2.39 3.84 0.19 2.79 8.01 -1.26 -4.49 118.70 125.40 1sby s GLU 245 Ca 0.44 -0.22 -0.30 0.00 0.01 0.00 0.00 54.97 54.90 1sby s GLU 245 Cb -0.13 -3.71 -0.09 0.00 -4.31 0.00 0.00 34.13 25.89 1sby s GLU 245 CO 0.20 -0.33 1.32 -0.46 0.01 0.00 0.00 175.26 175.99 1sby s TRP 246 N 1.96 3.25 0.17 1.61 -0.11 -1.26 -4.97 118.94 119.60 1sby s TRP 246 Ca 0.12 1.20 -0.30 0.00 1.22 0.00 0.00 56.10 58.34 1sby s TRP 246 Cb -0.16 -3.61 -0.08 0.00 -1.50 0.00 0.00 33.47 28.12 1sby s TRP 246 CO 0.11 -1.92 1.24 0.99 -4.62 0.00 0.00 176.95 172.75 1sby s THR 247 N 0.19 3.50 -0.79 5.86 2.01 -1.26 -4.96 115.64 120.19 1sby s THR 247 Ca 0.57 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.63 1sby s THR 247 Cb -0.36 -3.78 0.16 0.00 0.01 0.00 0.00 72.50 68.52 1sby s THR 247 CO 0.38 0.18 0.84 -0.54 -0.69 0.00 0.00 174.62 174.79 1sby s LYS 248 N -0.03 3.44 0.05 4.92 -0.14 -1.26 -4.83 119.74 121.89 1sby s LYS 248 Ca 0.55 -1.95 0.14 0.00 -1.36 0.00 0.00 55.97 53.35 1sby s LYS 248 Cb -0.34 -4.53 -0.15 0.00 -1.68 0.00 0.00 37.83 31.13 1sby s LYS 248 CO 0.36 -1.49 0.88 0.45 -0.76 0.00 0.00 175.35 174.78 1sby h HIS 249 N 8.47 0.00 -2.79 3.18 3.86 -2.05 -3.48 115.15 122.34 1sby h HIS 249 Ca 0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1sby h HIS 249 Cb 1.05 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.35 1sby h HIS 249 CO 1.01 0.74 -0.00 -0.46 0.86 0.00 0.00 177.93 180.08 1sby s TRP 250 N -2.80 -0.39 -0.02 2.45 -0.00 -1.26 -5.17 118.94 111.75 1sby s TRP 250 Ca -0.02 0.45 -0.00 0.00 -0.00 0.00 0.00 56.10 56.52 1sby s TRP 250 Cb 0.08 0.30 0.03 0.00 -0.00 0.00 0.00 33.47 33.88 1sby s TRP 250 CO 0.81 -0.61 0.03 0.34 -0.00 0.00 0.00 176.95 177.53 1sby s ASP 251 N -1.88 0.05 0.53 5.86 -1.08 -1.26 -5.03 116.67 113.85 1sby s ASP 251 Ca -0.06 0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.33 1sby s ASP 251 Cb -0.01 -0.05 1.28 0.00 -1.46 0.00 0.00 42.92 42.68 1sby s ASP 251 CO -0.01 -0.12 1.96 0.77 0.52 0.00 0.00 175.17 178.29 1sby h SER 252 N 7.19 0.00 0.00 -0.34 4.64 -2.06 -3.46 113.55 119.53 1sby h SER 252 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1sby h SER 252 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1sby h SER 252 CO 0.48 0.06 0.00 1.41 -0.87 0.00 0.00 176.83 177.91 1sby n HIS 253 N -3.18 0.00 -0.16 4.77 -0.00 -1.26 -5.37 115.22 110.02 1sby n HIS 253 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sby n HIS 253 Cb 0.33 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.80 1sby n HIS 253 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78