#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 4.16 0.07 7.83 2.15 -1.26 -4.65 116.67 124.97 1sby s ASP 2 Ca 0.00 -1.26 0.19 0.00 0.43 0.00 0.00 52.55 51.90 1sby s ASP 2 Cb 0.00 -1.46 0.77 0.00 -0.30 0.00 0.00 42.92 41.93 1sby s ASP 2 CO 0.00 -0.18 1.58 0.18 -0.17 0.00 0.00 175.17 176.59 1sby n LEU 3 N 4.50 0.18 -4.65 -1.34 4.77 -1.26 -4.74 117.00 114.46 1sby n LEU 3 Ca -0.14 0.54 -0.50 0.00 -0.03 0.00 0.00 56.01 55.88 1sby n LEU 3 Cb 0.43 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1sby n LEU 3 CO 0.21 -0.29 1.14 0.41 -1.33 0.00 0.00 177.39 177.53 1sby n THR 4 N -1.69 0.11 -1.33 -5.08 -1.04 -1.23 -1.49 114.28 102.53 1sby n THR 4 Ca 0.04 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 1sby n THR 4 Cb 0.21 -1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 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 3.75 -4.85 -4.94 8.00 5.03 -0.29 -4.88 115.26 117.08 1sby n ASN 5 Ca 0.19 0.28 -0.24 0.00 0.87 0.00 0.00 54.58 55.68 1sby n ASN 5 Cb 0.24 -3.36 0.00 0.00 -1.02 0.00 0.00 39.78 35.64 1sby n ASN 5 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sby s LYS 6 N -2.83 3.33 -0.21 3.52 -0.14 -0.55 -4.23 119.74 118.62 1sby s LYS 6 Ca 0.00 -0.26 -0.05 0.00 -1.36 0.00 0.00 55.97 54.31 1sby s LYS 6 Cb 0.00 -2.55 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1sby s LYS 6 CO 0.00 -0.11 -0.01 -0.80 -0.76 0.00 0.00 175.35 173.67 1sby s ASN 7 N -4.12 4.62 -0.06 2.83 0.01 -1.26 -0.66 114.94 116.29 1sby s ASN 7 Ca 0.45 -0.28 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 1sby s ASN 7 Cb -0.10 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1sby s ASN 7 CO 0.39 0.02 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.15 1sby s VAL 8 N 1.24 1.39 -0.20 1.60 1.01 -0.47 -0.50 120.40 124.47 1sby s VAL 8 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1sby s VAL 8 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1sby s VAL 8 CO 0.00 0.41 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 1sby s ILE 9 N 0.32 4.82 -0.23 2.22 1.01 -0.37 -0.59 121.20 128.38 1sby s ILE 9 Ca -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1sby s ILE 9 Cb -0.14 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.20 1sby s ILE 9 CO 0.04 0.43 -0.05 0.12 0.00 0.00 0.00 174.94 175.48 1sby s PHE 10 N 0.57 2.35 -0.16 3.97 5.99 0.04 -0.63 117.98 130.12 1sby s PHE 10 Ca 0.04 -1.73 -0.28 0.00 0.00 0.00 0.00 56.93 54.96 1sby s PHE 10 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 43.02 41.33 1sby s PHE 10 CO 0.01 -0.77 0.97 0.08 -0.00 0.00 0.00 175.22 175.51 1sby s VAL 11 N 1.41 4.78 -0.39 3.12 1.01 0.11 -1.56 120.40 128.88 1sby s VAL 11 Ca -0.06 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1sby s VAL 11 Cb -0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1sby s VAL 11 CO -0.06 -0.04 0.34 0.00 0.00 0.00 0.00 175.10 175.34 1sby n ALA 12 N 5.45 -0.45 0.64 5.51 0.00 0.18 -1.08 120.51 130.76 1sby n ALA 12 Ca 0.08 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1sby n ALA 12 Cb 0.48 -1.75 0.46 0.00 0.00 0.00 0.00 19.45 18.64 1sby n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sby n ALA 13 N -2.89 2.05 0.19 0.00 0.00 -1.24 -3.80 120.51 114.82 1sby n ALA 13 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1sby n ALA 13 Cb 0.53 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.68 1sby n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sby n LEU 14 N -1.96 2.63 0.00 0.00 4.77 -1.26 -1.21 117.00 119.97 1sby n LEU 14 Ca 0.05 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1sby n LEU 14 Cb 0.32 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1sby n LEU 14 CO 0.24 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1sby n GLY 15 N 0.76 -1.09 0.45 -0.72 0.00 -1.25 -4.53 105.19 98.81 1sby n GLY 15 Ca 0.11 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1sby n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sby h GLY 16 N -0.01 -1.17 0.93 -0.02 0.00 -1.93 0.33 103.07 101.21 1sby h GLY 16 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1sby h GLY 16 CO 0.00 -0.42 0.06 -2.22 0.00 0.00 0.00 176.54 173.96 1sby h ILE 17 N -1.22 1.24 -0.25 2.60 2.04 -1.93 -2.99 117.51 117.00 1sby h ILE 17 Ca -0.11 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1sby h ILE 17 Cb 0.87 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1sby h ILE 17 CO 0.19 0.29 -0.25 1.23 0.00 0.00 0.00 178.15 179.61 1sby h GLY 18 N 0.47 -0.17 1.28 5.37 0.00 -1.74 0.26 103.07 108.55 1sby h GLY 18 Ca 0.12 0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 1sby h GLY 18 CO 0.01 -0.20 -0.38 -2.00 0.00 0.00 0.00 176.54 173.97 1sby h LEU 19 N -0.25 0.84 -0.93 3.11 5.85 0.11 0.26 115.31 124.31 1sby h LEU 19 Ca 0.14 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 1sby h LEU 19 Cb 0.47 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1sby h LEU 19 CO -0.40 1.13 -0.30 0.44 -0.34 0.00 0.00 178.44 178.97 1sby h ASP 20 N 0.65 0.44 -0.47 1.25 3.32 -1.36 0.14 116.42 120.39 1sby h ASP 20 Ca 0.06 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1sby h ASP 20 Cb 0.94 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1sby h ASP 20 CO 0.09 0.72 0.01 0.74 -1.72 0.00 0.00 179.24 179.08 1sby h THR 21 N 0.38 1.26 -0.76 0.35 2.02 -0.59 -2.82 112.91 112.76 1sby h THR 21 Ca 0.05 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1sby h THR 21 Cb 0.71 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1sby h THR 21 CO 0.05 0.36 0.44 0.28 0.37 0.00 0.00 175.52 177.03 1sby h SER 22 N 0.67 0.92 -0.82 4.18 0.02 -0.09 0.15 113.55 118.58 1sby h SER 22 Ca 0.13 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1sby h SER 22 Cb 0.49 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1sby h SER 22 CO 0.02 0.73 0.51 0.03 -1.14 0.00 0.00 176.83 176.98 1sby h ARG 23 N 1.04 0.91 -0.20 3.45 3.08 -0.67 -1.32 114.38 120.67 1sby h ARG 23 Ca 0.27 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 1sby h ARG 23 Cb -0.01 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.84 1sby h ARG 23 CO -0.05 0.60 -0.64 0.93 -1.07 0.00 0.00 179.97 179.75 1sby h GLU 24 N 0.94 0.78 -0.53 0.04 4.39 -1.12 -3.05 114.58 116.03 1sby h GLU 24 Ca 0.35 -0.57 0.06 0.00 0.34 0.00 0.00 59.36 59.54 1sby h GLU 24 Cb 0.14 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1sby h GLU 24 CO -0.16 1.19 0.24 -0.07 -1.16 0.00 0.00 179.01 179.05 1sby h LEU 25 N 0.51 0.31 -0.70 1.33 3.38 -0.32 -2.34 115.31 117.47 1sby h LEU 25 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sby h LEU 25 Cb 1.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1sby h LEU 25 CO 0.14 0.21 0.00 -0.37 0.09 0.00 0.00 178.44 178.50 1sby h VAL 26 N 0.46 0.00 0.00 1.22 -1.51 -1.28 -0.67 116.25 114.48 1sby h VAL 26 Ca 0.25 -0.63 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1sby h VAL 26 Cb 0.21 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1sby h VAL 26 CO -0.21 0.00 -0.01 0.11 -1.23 0.00 0.00 177.57 176.23 1sby h LYS 27 N 0.00 0.00 -0.12 5.19 1.57 -1.30 -3.08 116.57 118.83 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 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1sby h LYS 27 CO 0.00 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 179.43 1sby n ARG 28 N -3.15 1.45 -2.37 3.15 3.00 -0.26 -4.94 116.66 113.54 1sby n ARG 28 Ca -0.02 -0.68 -0.07 0.00 -0.01 0.00 0.00 57.85 57.07 1sby n ARG 28 Cb 0.16 -1.32 0.01 0.00 0.00 0.00 0.00 32.46 31.31 1sby n ARG 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1sby n ASN 29 N -0.08 -2.91 -4.51 0.55 3.02 -1.16 -3.54 115.26 106.62 1sby n ASN 29 Ca 0.14 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 1sby n ASN 29 Cb 0.22 -1.99 0.04 0.00 -0.61 0.00 0.00 39.78 37.44 1sby n ASN 29 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sby n LEU 30 N -1.33 1.70 0.05 3.41 4.77 -1.25 -1.14 117.00 123.21 1sby n LEU 30 Ca -0.05 0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 56.58 1sby n LEU 30 Cb 0.55 -1.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1sby n LEU 30 CO 0.14 -2.69 0.33 0.50 -1.33 0.00 0.00 177.39 174.33 1sby h LYS 31 N 0.29 -0.21 -4.73 3.23 3.64 -1.06 -3.39 116.57 114.34 1sby h LYS 31 Ca -0.46 0.01 -0.45 0.00 -1.27 0.00 0.00 60.65 58.48 1sby h LYS 31 Cb 1.39 0.05 -0.31 0.00 -0.41 0.00 0.00 32.23 32.95 1sby h LYS 31 CO 0.48 0.19 -0.79 -0.80 -2.27 0.00 0.00 179.45 176.26 1sby s ASN 32 N -5.48 1.35 -0.23 4.20 0.01 -1.06 -1.72 114.94 112.01 1sby s ASN 32 Ca -0.11 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1sby s ASN 32 Cb 0.00 -0.34 0.06 0.00 0.41 0.00 0.00 41.25 41.38 1sby s ASN 32 CO 0.41 0.09 -0.06 0.12 -1.51 0.00 0.00 177.10 176.14 1sby s PHE 33 N 0.12 2.43 -0.33 2.20 5.36 -0.19 -1.37 117.98 126.21 1sby s PHE 33 Ca -0.02 -1.76 -0.07 0.00 -0.96 0.00 0.00 56.93 54.11 1sby s PHE 33 Cb -0.08 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.02 1sby s PHE 33 CO 0.01 -0.78 0.11 0.08 -1.46 0.00 0.00 175.22 173.18 1sby s VAL 34 N 1.38 4.02 -0.21 3.12 1.01 0.25 -1.33 120.40 128.64 1sby s VAL 34 Ca -0.06 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1sby s VAL 34 Cb -0.19 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sby s VAL 34 CO -0.06 -0.08 0.36 -0.63 0.00 0.00 0.00 175.10 174.70 1sby s ILE 35 N 1.48 5.22 -0.31 2.22 1.01 0.42 -0.78 121.20 130.45 1sby s ILE 35 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1sby s ILE 35 Cb -0.18 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.66 1sby s ILE 35 CO 0.03 0.25 0.01 -0.76 0.00 0.00 0.00 174.94 174.48 1sby s LEU 36 N 1.36 4.13 0.09 2.97 1.02 -0.60 -0.56 118.68 127.09 1sby s LEU 36 Ca 0.17 -1.58 -0.01 0.00 0.02 0.00 0.00 54.13 52.73 1sby s LEU 36 Cb -0.15 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1sby s LEU 36 CO 0.08 -0.30 0.03 -1.81 0.02 0.00 0.00 176.35 174.36 1sby s ASP 37 N 1.23 0.38 0.19 2.29 1.11 -1.01 -0.65 116.67 120.22 1sby s ASP 37 Ca -0.01 -1.09 -0.05 0.00 0.18 0.00 0.00 52.55 51.58 1sby s ASP 37 Cb -0.20 0.26 0.12 0.00 1.07 0.00 0.00 42.92 44.17 1sby s ASP 37 CO -0.04 -0.67 1.55 -0.09 1.18 0.00 0.00 175.17 177.10 1sby h ARG 38 N 2.99 0.70 -4.45 8.23 2.43 -1.78 -0.05 114.38 122.45 1sby h ARG 38 Ca -0.34 -0.36 -0.38 0.00 -0.81 0.00 0.00 59.98 58.08 1sby h ARG 38 Cb 1.17 0.01 -0.30 0.00 -0.42 0.00 0.00 29.97 30.43 1sby h ARG 38 CO 0.62 0.98 -0.77 0.08 -1.51 0.00 0.00 179.97 179.36 1sby s VAL 39 N -4.29 0.60 0.33 0.20 1.01 -1.26 -4.55 120.40 112.43 1sby s VAL 39 Ca -0.09 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1sby s VAL 39 Cb 0.12 -0.53 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 1sby s VAL 39 CO 0.85 0.19 1.36 -0.70 0.00 0.00 0.00 175.10 176.79 1sby s GLU 40 N 0.08 4.29 -0.41 2.72 2.12 -1.26 -5.03 118.70 121.22 1sby s GLU 40 Ca -0.01 2.30 0.02 0.00 0.36 0.00 0.00 54.97 57.64 1sby s GLU 40 Cb -0.06 -3.06 0.12 0.00 0.26 0.00 0.00 34.13 31.40 1sby s GLU 40 CO -0.00 -0.29 0.18 1.21 -0.54 0.00 0.00 175.26 175.82 1sby s ASN 41 N -0.31 4.05 0.48 -1.70 3.84 -1.26 -5.00 114.94 115.04 1sby s ASN 41 Ca 0.51 -2.39 0.18 0.00 0.21 0.00 0.00 52.86 51.38 1sby s ASN 41 Cb -0.41 -1.20 1.18 0.00 -0.55 0.00 0.00 41.25 40.27 1sby s ASN 41 CO 0.54 -0.31 2.05 -0.65 -2.79 0.00 0.00 177.10 175.93 1sby h PRO 42 N 7.15 0.00 -0.29 0.43 0.11 -1.99 -2.06 132.00 135.36 1sby h PRO 42 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1sby h PRO 42 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1sby h PRO 42 CO 0.52 0.14 -0.03 1.15 -0.21 0.00 0.00 178.00 179.57 1sby h THR 43 N 0.00 1.27 -0.58 -1.15 2.02 -1.99 -0.78 112.91 111.70 1sby h THR 43 Ca -0.00 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 1sby h THR 43 Cb 0.26 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1sby h THR 43 CO 0.02 0.32 -0.02 0.00 0.37 0.00 0.00 175.52 176.20 1sby h ALA 44 N 0.81 0.79 -0.49 6.16 0.00 -1.92 -0.26 119.26 124.35 1sby h ALA 44 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1sby h ALA 44 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1sby h ALA 44 CO 0.02 0.65 0.31 -0.07 0.00 0.00 0.00 179.25 180.16 1sby h LEU 45 N 0.94 0.52 -1.03 0.00 3.38 -1.26 -0.74 115.31 117.13 1sby h LEU 45 Ca 0.16 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1sby h LEU 45 Cb 0.59 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1sby h LEU 45 CO 0.03 0.37 0.65 0.00 0.09 0.00 0.00 178.44 179.59 1sby h ALA 46 N 1.20 1.34 -0.17 1.53 0.00 -0.76 -1.38 119.26 121.00 1sby h ALA 46 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sby h ALA 46 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1sby h ALA 46 CO -0.06 0.58 0.07 1.49 0.00 0.00 0.00 179.25 181.33 1sby h GLU 47 N 1.28 0.26 -0.67 0.00 4.81 -0.38 -1.17 114.58 118.71 1sby h GLU 47 Ca 0.39 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1sby h GLU 47 Cb -0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1sby h GLU 47 CO -0.11 0.32 0.35 -0.07 -0.73 0.00 0.00 179.01 178.76 1sby h LEU 48 N 0.14 0.86 -1.26 1.64 3.38 -0.95 -1.43 115.31 117.69 1sby h LEU 48 Ca 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sby h LEU 48 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1sby h LEU 48 CO -0.01 0.73 0.25 0.11 0.09 0.00 0.00 178.44 179.62 1sby h LYS 49 N 0.93 0.76 -0.01 1.13 1.57 -1.09 -2.38 116.57 117.48 1sby h LYS 49 Ca 0.23 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1sby h LYS 49 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1sby h LYS 49 CO -0.03 0.60 -0.57 0.00 -0.57 0.00 0.00 179.45 178.88 1sby h ALA 50 N 1.52 1.04 -0.48 3.86 0.00 -0.62 -2.21 119.26 122.37 1sby h ALA 50 Ca 0.19 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1sby h ALA 50 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sby h ALA 50 CO -0.02 0.71 -0.23 0.82 0.00 0.00 0.00 179.25 180.52 1sby h ILE 51 N 0.03 1.27 -1.75 0.00 2.04 -0.79 -3.40 117.51 114.91 1sby h ILE 51 Ca -0.00 -1.40 -0.27 0.00 1.00 0.00 0.00 64.86 64.18 1sby h ILE 51 Cb 1.01 1.14 -0.29 0.00 -0.74 0.00 0.00 36.82 37.95 1sby h ILE 51 CO 0.08 0.48 -0.61 0.21 0.00 0.00 0.00 178.15 178.31 1sby s ASN 52 N -6.74 0.58 0.44 1.72 3.84 -0.99 -4.91 114.94 108.88 1sby s ASN 52 Ca -0.11 -1.10 0.27 0.00 0.21 0.00 0.00 52.86 52.13 1sby s ASN 52 Cb 0.12 0.91 1.47 0.00 -0.55 0.00 0.00 41.25 43.21 1sby s ASN 52 CO 0.87 -0.28 1.82 -0.65 -2.79 0.00 0.00 177.10 176.07 1sby h PRO 53 N 7.41 0.00 0.00 0.43 0.11 -1.63 -2.84 132.00 135.48 1sby h PRO 53 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 1sby h PRO 53 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1sby h PRO 53 CO 0.21 0.00 -0.51 0.87 -0.21 0.00 0.00 178.00 178.36 1sby h LYS 54 N 0.00 0.00 -6.52 1.05 1.57 -1.94 -3.44 116.57 107.28 1sby h LYS 54 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1sby h LYS 54 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1sby h LYS 54 CO 0.00 0.51 0.32 0.08 -0.57 0.00 0.00 179.45 179.79 1sby s VAL 55 N -3.37 4.52 -0.54 0.50 1.01 -1.07 -4.92 120.40 116.52 1sby s VAL 55 Ca 0.01 1.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.71 1sby s VAL 55 Cb 0.10 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1sby s VAL 55 CO 0.73 0.34 1.00 0.21 0.00 0.00 0.00 175.10 177.37 1sby s ASN 56 N -0.10 6.39 -0.21 3.32 2.47 -0.70 -4.96 114.94 121.15 1sby s ASN 56 Ca 0.45 -0.17 -0.08 0.00 0.42 0.00 0.00 52.86 53.48 1sby s ASN 56 Cb -0.23 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1sby s ASN 56 CO 0.29 -1.26 0.09 -0.63 -3.72 0.00 0.00 177.10 171.87 1sby s ILE 57 N 4.15 4.80 0.11 -5.21 1.01 -1.26 -1.02 121.20 123.78 1sby s ILE 57 Ca 0.34 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.04 1sby s ILE 57 Cb -0.11 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1sby s ILE 57 CO 0.22 0.40 -0.16 0.42 0.00 0.00 0.00 174.94 175.82 1sby s THR 58 N 0.84 1.38 -0.02 2.92 -4.23 -0.44 -4.99 115.64 111.10 1sby s THR 58 Ca 0.05 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 1sby s THR 58 Cb -0.13 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1sby s THR 58 CO 0.02 -0.29 -0.24 0.12 -0.54 0.00 0.00 174.62 173.70 1sby s PHE 59 N -1.70 2.15 -0.02 3.99 5.36 -1.26 -0.44 117.98 126.06 1sby s PHE 59 Ca 0.06 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1sby s PHE 59 Cb -0.07 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.24 1sby s PHE 59 CO 0.03 -0.04 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.72 1sby s HIS 60 N -0.54 0.39 0.26 10.12 3.76 0.27 -4.96 115.29 124.58 1sby s HIS 60 Ca 0.09 -0.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.64 1sby s HIS 60 Cb -0.09 -0.39 -0.12 0.00 1.11 0.00 0.00 32.58 33.09 1sby s HIS 60 CO -0.01 -0.10 1.65 0.99 -0.85 0.00 0.00 174.74 176.43 1sby s THR 61 N 0.65 2.04 -0.24 1.30 2.01 -1.26 -2.40 115.64 117.75 1sby s THR 61 Ca -0.07 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1sby s THR 61 Cb -0.10 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 69.46 1sby s THR 61 CO -0.01 0.00 0.58 -0.47 -0.69 0.00 0.00 174.62 174.04 1sby s TYR 62 N 0.52 -0.90 -0.20 4.92 5.04 -0.03 -4.82 117.35 121.88 1sby s TYR 62 Ca 0.68 1.82 0.01 0.00 -2.44 0.00 0.00 57.07 57.14 1sby s TYR 62 Cb -0.49 0.50 0.03 0.00 0.35 0.00 0.00 41.96 42.35 1sby s TYR 62 CO 0.41 -0.46 -0.16 0.34 -1.34 0.00 0.00 175.55 174.33 1sby s ASP 63 N 1.58 3.55 0.00 4.32 -1.08 -1.26 -2.32 116.67 121.46 1sby s ASP 63 Ca -0.10 -0.81 0.10 0.00 -0.52 0.00 0.00 52.55 51.23 1sby s ASP 63 Cb -0.06 -1.52 0.45 0.00 -1.46 0.00 0.00 42.92 40.32 1sby s ASP 63 CO -0.17 -0.05 1.32 1.33 0.52 0.00 0.00 175.17 178.12 1sby n VAL 64 N 4.59 1.23 1.74 1.11 0.24 -1.26 -2.13 118.33 123.85 1sby n VAL 64 Ca -0.19 0.31 0.15 0.00 -2.04 0.00 0.00 64.34 62.57 1sby n VAL 64 Cb 0.48 -1.13 0.73 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.48 0.00 -1.56 3.34 -2.24 -1.26 -4.40 114.28 106.68 1sby n THR 65 Ca 0.03 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 1sby n THR 65 Cb 0.12 0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.00 3.51 0.81 2.28 -7.23 -0.91 -5.00 120.40 111.87 1sby s VAL 66 Ca 0.43 0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 61.04 1sby s VAL 66 Cb 0.21 -3.12 0.09 0.00 0.56 0.00 0.00 36.38 34.12 1sby s VAL 66 CO 0.35 -0.56 1.18 -2.84 -0.31 0.00 0.00 175.10 172.92 1sby s PRO 67 N -4.61 1.65 0.36 4.82 0.02 -1.26 -4.81 135.00 131.16 1sby s PRO 67 Ca 0.62 1.67 0.06 0.00 0.02 0.00 0.00 61.00 63.37 1sby s PRO 67 Cb -0.17 -1.79 0.74 0.00 0.02 0.00 0.00 34.50 33.30 1sby s PRO 67 CO 0.49 -2.19 1.95 -0.24 -0.33 0.00 0.00 177.00 176.68 1sby h VAL 68 N -1.00 1.00 -0.92 3.83 3.04 -1.94 -0.67 116.25 119.59 1sby h VAL 68 Ca -0.46 -0.26 0.07 0.00 -1.01 0.00 0.00 66.70 65.04 1sby h VAL 68 Cb 1.28 0.17 -0.06 0.00 -2.01 0.00 0.00 31.29 30.67 1sby h VAL 68 CO 0.46 0.14 0.60 0.00 -1.01 0.00 0.00 177.57 177.76 1sby h ALA 69 N 1.60 1.51 -0.29 3.17 0.00 -1.97 0.17 119.26 123.45 1sby h ALA 69 Ca 0.33 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1sby h ALA 69 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sby h ALA 69 CO -0.12 0.34 -0.40 0.93 0.00 0.00 0.00 179.25 180.01 1sby h GLU 70 N 1.03 0.69 -0.46 0.00 5.08 -1.47 -1.64 114.58 117.80 1sby h GLU 70 Ca 0.40 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1sby h GLU 70 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1sby h GLU 70 CO -0.15 0.97 0.09 0.77 -1.00 0.00 0.00 179.01 179.69 1sby h SER 71 N 0.57 0.71 -0.84 1.42 0.02 -1.06 -2.62 113.55 111.74 1sby h SER 71 Ca 0.05 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1sby h SER 71 Cb 0.93 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 1sby h SER 71 CO 0.08 0.78 0.51 0.11 -1.14 0.00 0.00 176.83 177.17 1sby h LYS 72 N 0.62 0.88 -0.36 3.45 1.57 -0.86 -0.80 116.57 121.07 1sby h LYS 72 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1sby h LYS 72 Cb 0.35 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1sby h LYS 72 CO 0.01 0.58 0.23 -0.22 -0.57 0.00 0.00 179.45 179.48 1sby h LYS 73 N 0.91 0.48 -0.08 3.15 3.64 -1.06 0.89 116.57 124.49 1sby h LYS 73 Ca 0.38 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1sby h LYS 73 Cb 0.23 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1sby h LYS 73 CO -0.20 0.34 -0.02 1.25 -2.27 0.00 0.00 179.45 178.56 1sby h LEU 74 N 0.48 0.15 -1.12 5.20 5.85 -1.23 -2.96 115.31 121.67 1sby h LEU 74 Ca 0.13 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1sby h LEU 74 Cb -0.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1sby h LEU 74 CO -0.03 0.48 0.18 -0.07 -0.34 0.00 0.00 178.44 178.67 1sby h LEU 75 N -0.18 0.74 -0.49 2.25 3.38 -1.03 -2.20 115.31 117.77 1sby h LEU 75 Ca 0.02 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1sby h LEU 75 Cb 0.41 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1sby h LEU 75 CO 0.01 0.69 0.18 0.50 0.09 0.00 0.00 178.44 179.91 1sby h LYS 76 N 0.79 0.35 -0.53 1.13 1.63 -0.76 -0.08 116.57 119.09 1sby h LYS 76 Ca 0.18 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1sby h LYS 76 Cb 0.21 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1sby h LYS 76 CO -0.01 0.23 0.13 -0.22 -3.45 0.00 0.00 179.45 176.13 1sby h LYS 77 N 0.36 0.85 -0.24 1.90 3.64 -1.26 0.11 116.57 121.93 1sby h LYS 77 Ca 0.23 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sby h LYS 77 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1sby h LYS 77 CO -0.23 0.81 0.10 0.82 -2.27 0.00 0.00 179.45 178.67 1sby h ILE 78 N 0.75 1.17 -0.60 2.00 2.04 -1.03 -0.75 117.51 121.10 1sby h ILE 78 Ca 0.17 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1sby h ILE 78 Cb 0.34 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1sby h ILE 78 CO 0.00 0.17 0.26 -0.26 0.00 0.00 0.00 178.15 178.32 1sby h PHE 79 N 0.24 0.85 -0.10 1.37 -1.00 -0.92 -0.62 116.94 116.76 1sby h PHE 79 Ca 0.08 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1sby h PHE 79 Cb 0.18 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 1sby h PHE 79 CO -0.01 0.65 0.06 0.22 -1.61 0.00 0.00 178.31 177.61 1sby h ASP 80 N 0.85 0.13 -0.27 2.17 -0.00 -0.52 0.19 116.42 118.97 1sby h ASP 80 Ca 0.21 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.03 57.14 1sby h ASP 80 Cb 0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 1sby h ASP 80 CO -0.02 0.17 0.10 1.56 -0.00 0.00 0.00 179.24 181.05 1sby h GLN 81 N 0.07 0.41 0.00 0.28 4.20 -0.81 -3.25 115.11 116.01 1sby h GLN 81 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1sby h GLN 81 Cb 0.07 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1sby h GLN 81 CO -0.01 0.45 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.79 1sby h LEU 82 N 0.28 0.00 0.00 1.46 3.38 -1.10 -3.48 115.31 115.85 1sby h LEU 82 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sby h LEU 82 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1sby h LEU 82 CO -0.01 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1sby n LYS 83 N -2.80 0.00 -4.16 1.13 5.02 0.67 -4.84 118.16 113.18 1sby n LYS 83 Ca 0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 1sby n LYS 83 Cb 0.56 -0.04 -0.12 0.00 -0.02 0.00 0.00 35.03 35.41 1sby n LYS 83 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sby s THR 84 N 0.00 1.02 -0.04 -0.18 -4.23 -1.26 -4.85 115.64 106.10 1sby s THR 84 Ca 0.00 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1sby s THR 84 Cb 0.00 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1sby s THR 84 CO 0.00 -0.29 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.98 1sby s VAL 85 N -1.46 1.00 -0.15 2.29 1.01 -1.26 -4.82 120.40 117.02 1sby s VAL 85 Ca -0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1sby s VAL 85 Cb -0.09 -0.90 -0.24 0.00 0.00 0.00 0.00 36.38 35.15 1sby s VAL 85 CO 0.02 0.31 0.32 0.47 0.00 0.00 0.00 175.10 176.22 1sby n ASP 86 N 3.46 2.05 -3.82 3.32 8.00 0.34 -4.90 116.55 125.01 1sby n ASP 86 Ca -0.20 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1sby n ASP 86 Cb 0.53 -0.89 -0.15 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.51 -0.02 -0.15 0.53 1.01 -1.09 -3.01 121.20 115.95 1sby s ILE 87 Ca -0.24 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1sby s ILE 87 Cb 0.06 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.45 1sby s ILE 87 CO 0.72 0.04 -0.07 -0.22 0.00 0.00 0.00 174.94 175.40 1sby s LEU 88 N 0.45 3.00 -0.26 2.97 2.96 -0.23 -1.23 118.68 126.34 1sby s LEU 88 Ca -0.04 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1sby s LEU 88 Cb -0.05 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1sby s LEU 88 CO -0.01 0.15 0.02 -0.63 -1.32 0.00 0.00 176.35 174.55 1sby s ILE 89 N 0.47 3.66 -0.51 6.68 1.01 0.20 -0.65 121.20 132.06 1sby s ILE 89 Ca -0.06 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1sby s ILE 89 Cb -0.15 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.62 1sby s ILE 89 CO 0.03 0.23 0.50 0.20 0.00 0.00 0.00 174.94 175.91 1sby s ASN 90 N 1.48 6.18 0.00 3.58 0.01 -0.14 -0.71 114.94 125.33 1sby s ASN 90 Ca 0.04 -1.43 0.09 0.00 -0.71 0.00 0.00 52.86 50.85 1sby s ASN 90 Cb -0.16 -2.22 0.08 0.00 0.41 0.00 0.00 41.25 39.36 1sby s ASN 90 CO -0.00 -0.81 0.81 0.61 -1.51 0.00 0.00 177.10 176.20 1sby n GLY 91 N 5.22 -0.36 3.76 0.66 0.00 -0.24 -1.18 105.19 113.05 1sby n GLY 91 Ca -0.12 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.77 3.50 -0.06 4.61 0.00 -1.25 -4.81 121.76 122.98 1sby s ALA 92 Ca 0.11 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1sby s ALA 92 Cb 0.08 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1sby s ALA 92 CO 0.11 -0.55 0.79 0.20 0.00 0.00 0.00 175.76 176.32 1sby s GLY 93 N -0.28 -0.48 0.13 0.00 0.00 -1.26 -4.58 107.32 100.85 1sby s GLY 93 Ca 0.51 1.45 0.05 0.00 0.00 0.00 0.00 44.72 46.73 1sby s GLY 93 CO 0.47 0.87 -0.12 -0.26 0.00 0.00 0.00 173.10 174.06 1sby s ILE 94 N -1.52 1.21 -0.29 0.90 -4.36 -1.26 -5.04 121.20 110.84 1sby s ILE 94 Ca -0.06 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1sby s ILE 94 Cb -0.00 -1.64 0.09 0.00 1.25 0.00 0.00 42.46 42.16 1sby s ILE 94 CO 0.04 -0.58 0.08 -0.22 0.24 0.00 0.00 174.94 174.50 1sby s LEU 95 N -2.77 2.26 -0.33 0.37 2.96 -1.26 -4.94 118.68 114.97 1sby s LEU 95 Ca 0.12 -1.55 -0.05 0.00 -0.22 0.00 0.00 54.13 52.43 1sby s LEU 95 Cb -0.01 -0.89 0.19 0.00 0.50 0.00 0.00 46.19 45.97 1sby s LEU 95 CO 0.02 -0.39 0.93 -0.62 -1.32 0.00 0.00 176.35 174.96 1sby s ASP 96 N 1.60 -0.69 0.00 3.68 -1.08 -1.26 -4.58 116.67 114.33 1sby s ASP 96 Ca 0.08 -0.22 0.11 0.00 -0.52 0.00 0.00 52.55 52.00 1sby s ASP 96 Cb -0.17 1.04 0.66 0.00 -1.46 0.00 0.00 42.92 42.98 1sby s ASP 96 CO -0.22 -0.09 1.38 0.47 0.52 0.00 0.00 175.17 177.23 1sby n ASP 97 N 4.27 0.00 0.07 -0.34 9.92 -0.69 -0.95 116.55 128.84 1sby n ASP 97 Ca 0.07 -1.55 0.13 0.00 -0.53 0.00 0.00 54.79 52.92 1sby n ASP 97 Cb 0.60 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.55 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 -0.68 0.65 -3.54 1.24 8.25 -1.26 -4.41 115.22 115.47 1sby n HIS 98 Ca 0.08 0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 57.42 1sby n HIS 98 Cb 0.04 -0.81 -0.07 0.00 1.12 0.00 0.00 29.99 30.26 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 -2.03 2.66 0.21 -0.41 6.02 -0.12 -4.94 117.38 118.76 1sby n GLN 99 Ca 0.06 -4.57 -0.15 0.00 -0.01 0.00 0.00 57.00 52.34 1sby n GLN 99 Cb 0.39 -2.34 -0.08 0.00 1.02 0.00 0.00 30.24 29.23 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 3.73 0.63 -0.61 5.09 2.04 -1.77 -0.83 117.51 125.79 1sby h ILE 100 Ca 0.18 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1sby h ILE 100 Cb 0.72 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1sby h ILE 100 CO 0.88 0.06 0.30 -0.33 0.00 0.00 0.00 178.15 179.05 1sby h GLU 101 N -0.67 0.88 -0.07 2.37 3.07 -1.96 -2.44 114.58 115.76 1sby h GLU 101 Ca -0.05 -0.13 -0.19 0.00 -0.50 0.00 0.00 59.36 58.49 1sby h GLU 101 Cb 0.48 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1sby h GLU 101 CO 0.08 0.71 -0.75 -0.09 -1.40 0.00 0.00 179.01 177.56 1sby h ARG 102 N 0.84 0.42 -0.38 2.33 2.43 -1.95 -0.14 114.38 117.93 1sby h ARG 102 Ca 0.21 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1sby h ARG 102 Cb 0.12 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1sby h ARG 102 CO -0.03 1.00 0.13 1.15 -1.51 0.00 0.00 179.97 180.71 1sby h THR 103 N 0.28 0.88 -0.39 0.20 2.02 -0.97 -0.26 112.91 114.68 1sby h THR 103 Ca -0.04 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 1sby h THR 103 Cb 1.34 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1sby h THR 103 CO 0.13 0.05 -0.05 0.40 0.37 0.00 0.00 175.52 176.42 1sby h ILE 104 N 0.28 1.27 -0.81 3.11 2.04 -1.24 -0.38 117.51 121.77 1sby h ILE 104 Ca 0.17 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1sby h ILE 104 Cb 0.16 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1sby h ILE 104 CO -0.18 0.37 0.47 0.00 0.00 0.00 0.00 178.15 178.80 1sby h ALA 105 N 0.86 1.04 0.00 1.87 0.00 -0.74 -1.27 119.26 121.02 1sby h ALA 105 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sby h ALA 105 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sby h ALA 105 CO 0.03 0.53 -0.20 0.82 0.00 0.00 0.00 179.25 180.42 1sby h ILE 106 N 1.12 1.29 0.00 0.00 2.04 -0.99 0.19 117.51 121.16 1sby h ILE 106 Ca 0.29 -2.04 -0.15 0.00 1.00 0.00 0.00 64.86 63.96 1sby h ILE 106 Cb -0.01 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1sby h ILE 106 CO -0.05 0.44 -0.72 0.78 0.00 0.00 0.00 178.15 178.60 1sby h ASN 107 N -1.00 0.00 0.00 1.72 4.21 -1.09 -3.33 115.58 116.08 1sby h ASN 107 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 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 -0.03 0.72 0.00 0.33 -1.29 0.00 0.00 177.43 177.16 1sby n PHE 108 N -3.55 0.00 -0.20 1.19 -0.00 -0.66 -4.61 117.46 109.63 1sby n PHE 108 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1sby n PHE 108 Cb 0.73 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.30 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 0.90 -0.63 -2.13 2.02 -1.35 -1.68 112.91 110.04 1sby h THR 109 Ca 0.00 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1sby h THR 109 Cb 0.00 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1sby h THR 109 CO 0.00 0.10 0.32 1.23 0.37 0.00 0.00 175.52 177.54 1sby h GLY 110 N 0.54 0.96 0.93 2.16 0.00 -0.73 0.37 103.07 107.30 1sby h GLY 110 Ca 0.28 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1sby h GLY 110 CO -0.22 0.44 0.15 -2.00 0.00 0.00 0.00 176.54 174.90 1sby h LEU 111 N 0.86 0.48 -0.84 3.11 6.46 -1.54 -0.50 115.31 123.34 1sby h LEU 111 Ca 0.22 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1sby h LEU 111 Cb 0.08 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 1sby h LEU 111 CO -0.03 0.51 0.55 0.58 -0.62 0.00 0.00 178.44 179.43 1sby h VAL 112 N 0.43 1.18 -0.28 1.05 2.07 -0.91 -2.14 116.25 117.64 1sby h VAL 112 Ca 0.12 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 1sby h VAL 112 Cb 0.18 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1sby h VAL 112 CO -0.01 0.20 -0.47 0.78 0.02 0.00 0.00 177.57 178.09 1sby h ASN 113 N 1.10 0.90 -0.74 0.57 2.35 -0.65 0.53 115.58 119.63 1sby h ASN 113 Ca 0.32 -0.52 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1sby h ASN 113 Cb -0.07 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1sby h ASN 113 CO -0.09 1.25 0.33 0.74 -1.65 0.00 0.00 177.43 178.01 1sby h THR 114 N 0.59 1.24 -0.17 2.81 2.02 -0.98 -0.09 112.91 118.33 1sby h THR 114 Ca 0.02 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1sby h THR 114 Cb 1.07 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1sby h THR 114 CO 0.11 0.30 0.07 0.74 0.37 0.00 0.00 175.52 177.10 1sby h THR 115 N 1.05 0.98 -0.75 3.16 2.02 -1.24 -0.68 112.91 117.45 1sby h THR 115 Ca 0.25 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.40 1sby h THR 115 Cb 0.15 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1sby h THR 115 CO -0.03 0.03 0.48 0.74 0.37 0.00 0.00 175.52 177.11 1sby h THR 116 N 0.16 1.12 -0.13 3.16 2.02 -0.62 -2.09 112.91 116.53 1sby h THR 116 Ca 0.07 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1sby h THR 116 Cb 0.03 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1sby h THR 116 CO -0.06 0.17 0.05 0.00 0.37 0.00 0.00 175.52 176.06 1sby h ALA 117 N 1.31 0.17 0.00 6.16 0.00 -0.74 -2.97 119.26 123.19 1sby h ALA 117 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1sby h ALA 117 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sby h ALA 117 CO -0.10 -0.25 -0.17 0.97 0.00 0.00 0.00 179.25 179.69 1sby h ILE 118 N 0.06 0.58 -0.01 0.00 2.10 -0.79 -1.73 117.51 117.72 1sby h ILE 118 Ca 0.04 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 65.20 1sby h ILE 118 Cb 0.15 1.52 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1sby h ILE 118 CO -0.00 0.17 0.02 -0.07 -1.08 0.00 0.00 178.15 177.18 1sby h LEU 119 N 0.00 0.00 -1.76 2.19 -0.00 -1.21 -0.64 115.31 113.89 1sby h LEU 119 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1sby h LEU 119 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1sby h LEU 119 CO 0.02 0.00 0.22 0.44 -0.00 0.00 0.00 178.44 179.13 1sby h ASP 120 N 0.00 0.27 0.03 -0.43 5.19 -1.41 0.05 116.42 120.12 1sby h ASP 120 Ca 0.01 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1sby h ASP 120 Cb 0.05 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1sby h ASP 120 CO -0.00 0.19 -1.65 0.49 -3.12 0.00 0.00 179.24 175.15 1sby n PHE 121 N -4.49 0.03 -0.06 4.55 3.01 -0.30 -4.58 117.46 115.61 1sby n PHE 121 Ca 0.03 0.01 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 1sby n PHE 121 Cb 0.17 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.03 0.00 -1.68 1.38 8.01 -0.86 -4.41 117.44 117.86 1sby n TRP 122 Ca -0.01 0.00 -0.47 0.00 -1.31 0.00 0.00 57.50 55.70 1sby n TRP 122 Cb 0.49 -0.56 -0.04 0.00 -2.01 0.00 0.00 31.31 29.19 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 -2.51 3.42 0.30 -0.99 -0.08 -0.01 -0.66 116.55 116.01 1sby n ASP 123 Ca -0.20 1.00 0.18 0.00 -1.51 0.00 0.00 54.79 54.26 1sby n ASP 123 Cb 0.85 -1.40 0.90 0.00 2.34 0.00 0.00 41.12 43.81 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 8.42 0.00 0.00 -0.67 2.10 -1.17 -0.75 116.57 124.51 1sby h LYS 124 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1sby h LYS 124 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1sby h LYS 124 CO 0.93 0.03 0.00 0.54 -2.00 0.00 0.00 179.45 178.95 1sby n ARG 125 N -3.20 0.17 -0.41 0.07 1.74 -1.26 -1.63 116.66 112.13 1sby n ARG 125 Ca -0.01 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.48 1sby n ARG 125 Cb 0.20 -1.78 0.27 0.00 -1.02 0.00 0.00 32.46 30.13 1sby n ARG 125 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1sby n LYS 126 N -2.09 3.21 -0.48 5.56 5.02 -0.38 -4.94 118.16 124.06 1sby n LYS 126 Ca 0.03 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1sby n LYS 126 Cb 0.27 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.59 0.75 3.91 0.72 0.00 -0.65 -5.00 105.19 105.51 1sby n GLY 127 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.73 1.63 0.00 -0.02 0.00 -0.64 -4.96 107.32 101.62 1sby s GLY 128 Ca 0.00 -0.77 0.24 0.00 0.00 0.00 0.00 44.72 44.19 1sby s GLY 128 CO 0.00 -0.32 1.63 -1.55 0.00 0.00 0.00 173.10 172.86 1sby n PRO 129 N -3.12 1.73 -0.26 2.90 -0.04 -1.22 -3.98 135.00 131.01 1sby n PRO 129 Ca 0.08 -1.08 0.03 0.00 -0.04 0.00 0.00 63.50 62.49 1sby n PRO 129 Cb 0.61 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.16 -2.20 0.00 0.55 0.00 0.17 -4.99 105.19 99.88 1sby n GLY 130 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.56 0.59 2.88 -0.02 0.00 -0.58 -4.86 105.19 101.64 1sby n GLY 131 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.11 0.39 -0.13 -0.61 1.01 -1.16 -1.11 121.20 117.47 1sby s ILE 132 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1sby s ILE 132 Cb 0.00 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.06 1sby s ILE 132 CO 0.00 0.18 -0.22 -0.63 0.00 0.00 0.00 174.94 174.26 1sby s ILE 133 N 0.74 2.08 -0.30 2.92 1.01 0.09 -1.07 121.20 126.66 1sby s ILE 133 Ca -0.09 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1sby s ILE 133 Cb -0.12 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1sby s ILE 133 CO -0.00 0.55 0.10 0.00 0.00 0.00 0.00 174.94 175.59 1sby s ALA 134 N 0.66 3.11 -0.24 9.38 0.00 0.18 -1.72 121.76 133.13 1sby s ALA 134 Ca -0.11 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1sby s ALA 134 Cb -0.16 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1sby s ALA 134 CO 0.02 -0.95 0.13 -0.80 0.00 0.00 0.00 175.76 174.15 1sby s ASN 135 N 1.52 5.77 -0.68 0.00 0.01 -0.80 -0.97 114.94 119.79 1sby s ASN 135 Ca 0.03 -0.00 -0.27 0.00 -0.71 0.00 0.00 52.86 51.91 1sby s ASN 135 Cb -0.17 -2.04 0.03 0.00 0.41 0.00 0.00 41.25 39.48 1sby s ASN 135 CO 0.03 0.03 1.22 -0.63 -1.51 0.00 0.00 177.10 176.24 1sby s ILE 136 N 1.24 3.88 0.00 0.60 1.01 -0.33 -0.67 121.20 126.93 1sby s ILE 136 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1sby s ILE 136 Cb -0.14 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.50 1sby s ILE 136 CO 0.05 -1.65 0.00 0.00 0.00 0.00 0.00 174.94 173.35 1sby n SER 138 N 0.00 0.00 0.21 0.00 2.88 -1.26 -4.71 113.62 110.75 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 0.85 0.00 -0.75 0.00 0.00 64.21 64.31 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 1.49 0.40 0.00 2.46 -1.51 -1.61 -0.89 116.25 116.60 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 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 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 -1.84 -0.11 112.91 119.49 1sby h THR 140 Ca 0.08 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1sby h THR 140 Cb 0.52 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 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 -0.43 -1.51 0.09 5.82 0.00 -0.34 -3.14 105.19 105.68 1sby n GLY 141 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.70 1.61 0.04 -1.17 -3.37 116.94 111.35 1sby h PHE 142 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1sby h PHE 142 Cb 0.56 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 38.37 1sby h PHE 142 CO 0.00 1.16 -0.57 -0.80 -0.60 0.00 0.00 178.31 177.50 1sby s ASN 143 N -6.54 0.73 0.72 2.17 -0.87 -0.98 -5.12 114.94 105.05 1sby s ASN 143 Ca -0.24 0.27 -0.14 0.00 -1.57 0.00 0.00 52.86 51.17 1sby s ASN 143 Cb 0.03 0.58 0.03 0.00 -0.02 0.00 0.00 41.25 41.88 1sby s ASN 143 CO 0.55 -0.27 1.16 0.00 -2.57 0.00 0.00 177.10 175.96 1sby s ALA 144 N 2.39 2.22 -0.66 0.60 0.00 -1.19 -4.03 121.76 121.10 1sby s ALA 144 Ca 0.04 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 1sby s ALA 144 Cb -0.14 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1sby s ALA 144 CO -0.10 -1.68 1.19 0.42 0.00 0.00 0.00 175.76 175.58 1sby s ILE 145 N -2.22 3.95 -0.44 0.00 1.01 -1.26 -4.92 121.20 117.31 1sby s ILE 145 Ca 0.70 0.50 0.24 0.00 0.00 0.00 0.00 60.65 62.09 1sby s ILE 145 Cb -0.24 -4.79 0.25 0.00 0.01 0.00 0.00 42.46 37.69 1sby s ILE 145 CO 0.45 -1.56 1.72 0.00 0.00 0.00 0.00 174.94 175.55 1sby n HIS 146 N 8.70 0.85 0.49 3.97 1.44 -1.26 -1.35 115.22 128.07 1sby n HIS 146 Ca 0.04 0.34 0.13 0.00 -2.01 0.00 0.00 57.72 56.22 1sby n HIS 146 Cb 0.49 -1.05 0.43 0.00 0.12 0.00 0.00 29.99 29.98 1sby n HIS 146 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 1sby h GLN 147 N 0.00 0.00 -2.18 -1.40 7.50 -1.98 -3.20 115.11 113.85 1sby h GLN 147 Ca 0.00 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.56 1sby h GLN 147 Cb 0.35 0.00 -0.42 0.00 0.05 0.00 0.00 27.48 27.47 1sby h GLN 147 CO 0.00 0.00 -0.67 1.33 -1.50 0.00 0.00 178.83 177.99 1sby n VAL 148 N -2.40 2.04 0.20 -0.54 0.24 -0.45 -2.14 118.33 115.28 1sby n VAL 148 Ca 0.04 -5.11 0.04 0.00 -2.04 0.00 0.00 64.34 57.27 1sby n VAL 148 Cb 0.37 -1.95 0.42 0.00 -1.47 0.00 0.00 33.84 31.21 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 3.97 0.00 0.00 7.34 0.13 -1.62 -1.14 132.00 140.69 1sby h PRO 149 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1sby h PRO 149 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1sby h PRO 149 CO 0.78 0.29 -0.00 0.28 -0.23 0.00 0.00 178.00 179.12 1sby h VAL 150 N 0.00 1.53 -0.26 1.56 2.07 -1.91 -1.42 116.25 117.81 1sby h VAL 150 Ca -0.00 -1.58 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1sby h VAL 150 Cb 0.52 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 1sby h VAL 150 CO 0.04 0.41 -0.28 0.22 0.02 0.00 0.00 177.57 177.98 1sby h TYR 151 N -0.68 -0.75 -0.85 1.57 3.20 -1.92 -0.24 116.97 117.30 1sby h TYR 151 Ca -0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1sby h TYR 151 Cb 0.67 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1sby h TYR 151 CO 0.16 -0.35 0.45 0.77 -1.64 0.00 0.00 178.16 177.55 1sby h SER 152 N -0.28 1.08 -0.51 -2.11 0.02 -1.23 -1.79 113.55 108.74 1sby h SER 152 Ca 0.14 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1sby h SER 152 Cb 0.50 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1sby h SER 152 CO -0.42 0.89 0.12 0.00 -1.14 0.00 0.00 176.83 176.28 1sby h ALA 153 N 1.24 1.16 -0.33 3.77 0.00 -0.83 0.07 119.26 124.34 1sby h ALA 153 Ca 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sby h ALA 153 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sby h ALA 153 CO -0.04 0.56 0.02 0.66 0.00 0.00 0.00 179.25 180.45 1sby h SER 154 N 0.83 0.47 0.46 0.00 4.64 -0.37 -1.31 113.55 118.27 1sby h SER 154 Ca 0.18 -0.08 -0.24 0.00 -0.47 0.00 0.00 61.79 61.19 1sby h SER 154 Cb 0.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sby h SER 154 CO 0.00 0.52 -1.02 0.11 -0.87 0.00 0.00 176.83 175.57 1sby h LYS 155 N 0.49 0.34 -0.99 4.77 1.79 -0.68 -2.67 116.57 119.62 1sby h LYS 155 Ca 0.11 -0.41 0.03 0.00 -2.18 0.00 0.00 60.65 58.20 1sby h LYS 155 Cb 0.28 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 1sby h LYS 155 CO 0.01 1.12 0.65 0.00 -1.08 0.00 0.00 179.45 180.14 1sby h ALA 156 N 0.73 1.35 -0.27 3.86 0.00 -0.55 -0.98 119.26 123.40 1sby h ALA 156 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sby h ALA 156 Cb 1.68 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1sby h ALA 156 CO 0.17 0.56 0.14 0.00 0.00 0.00 0.00 179.25 180.12 1sby h ALA 157 N 1.42 0.32 0.00 0.00 0.00 -1.14 -2.15 119.26 117.71 1sby h ALA 157 Ca 0.39 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1sby h ALA 157 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sby h ALA 157 CO -0.12 -0.24 -0.47 -0.39 0.00 0.00 0.00 179.25 178.03 1sby h VAL 158 N 0.30 0.90 -0.16 0.00 -1.51 -1.11 -0.34 116.25 114.33 1sby h VAL 158 Ca 0.11 -2.00 0.03 0.00 -1.23 0.00 0.00 66.70 63.61 1sby h VAL 158 Cb 0.01 2.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 1sby h VAL 158 CO -0.06 0.46 -0.01 0.58 -1.23 0.00 0.00 177.57 177.31 1sby h VAL 159 N 0.00 0.88 0.16 7.19 2.07 -1.04 -0.88 116.25 124.62 1sby h VAL 159 Ca -0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1sby h VAL 159 Cb 1.21 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1sby h VAL 159 CO 0.06 0.01 -0.08 -1.28 0.02 0.00 0.00 177.57 176.30 1sby h SER 160 N 0.04 -0.18 -0.64 0.57 0.87 -1.12 -1.72 113.55 111.37 1sby h SER 160 Ca 0.07 -0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1sby h SER 160 Cb 0.10 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.03 1sby h SER 160 CO -0.14 -0.11 0.25 0.15 -0.53 0.00 0.00 176.83 176.46 1sby h PHE 161 N -0.24 0.43 -0.48 2.24 3.57 -0.95 -1.08 116.94 120.42 1sby h PHE 161 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1sby h PHE 161 Cb 0.18 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1sby h PHE 161 CO -0.06 0.10 0.15 1.15 -2.23 0.00 0.00 178.31 177.42 1sby h THR 162 N 0.43 1.22 -0.89 4.41 2.02 -0.96 -0.24 112.91 118.90 1sby h THR 162 Ca 0.33 -0.75 0.13 0.00 0.77 0.00 0.00 66.41 66.89 1sby h THR 162 Cb 0.42 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 1sby h THR 162 CO -0.32 0.27 0.51 0.78 0.37 0.00 0.00 175.52 177.12 1sby h ASN 163 N 0.64 0.69 -0.32 4.18 -0.26 -0.50 -1.78 115.58 118.22 1sby h ASN 163 Ca 0.15 0.07 -0.13 0.00 -0.56 0.00 0.00 56.30 55.83 1sby h ASN 163 Cb 0.26 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 1sby h ASN 163 CO -0.01 0.34 -0.30 0.28 -1.06 0.00 0.00 177.43 176.69 1sby h SER 164 N 0.78 0.82 -0.64 5.81 0.02 -0.72 -2.72 113.55 116.90 1sby h SER 164 Ca 0.46 -0.46 0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1sby h SER 164 Cb 0.53 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 1sby h SER 164 CO -0.30 1.12 0.22 -0.07 -1.14 0.00 0.00 176.83 176.65 1sby h LEU 165 N 0.54 0.18 -1.06 5.07 3.38 -0.59 -1.37 115.31 121.47 1sby h LEU 165 Ca 0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1sby h LEU 165 Cb 0.88 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1sby h LEU 165 CO 0.08 0.09 0.34 0.00 0.09 0.00 0.00 178.44 179.04 1sby h ALA 166 N 1.47 1.27 0.00 1.53 0.00 -1.14 -1.32 119.26 121.07 1sby h ALA 166 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sby h ALA 166 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sby h ALA 166 CO -0.36 0.57 0.00 0.87 0.00 0.00 0.00 179.25 180.33 1sby h LYS 167 N 1.00 0.00 -0.00 0.00 1.57 -1.02 -2.80 116.57 115.31 1sby h LYS 167 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1sby h LYS 167 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1sby h LYS 167 CO -0.03 0.00 -0.38 1.28 -0.57 0.00 0.00 179.45 179.75 1sby n LEU 168 N -2.94 0.72 -0.32 2.94 4.77 -0.56 -4.45 117.00 117.17 1sby n LEU 168 Ca 0.01 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1sby n LEU 168 Cb 0.33 -0.19 0.35 0.00 -2.33 0.00 0.00 43.42 41.58 1sby n LEU 168 CO 0.27 0.15 1.21 0.00 -1.33 0.00 0.00 177.39 177.70 1sby h ALA 169 N 3.32 1.77 0.00 -1.18 0.00 -1.12 0.04 119.26 122.09 1sby h ALA 169 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sby h ALA 169 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sby h ALA 169 CO 0.00 -0.09 -0.00 -1.35 0.00 0.00 0.00 179.25 177.80 1sby h PRO 170 N 0.73 0.00 0.08 0.00 0.11 -1.82 0.13 132.00 131.22 1sby h PRO 170 Ca 0.53 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.31 1sby h PRO 170 Cb 0.87 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1sby h PRO 170 CO -0.30 0.00 -1.84 -0.89 -0.21 0.00 0.00 178.00 174.76 1sby n ILE 171 N -3.82 1.70 0.00 4.15 5.41 -0.08 -4.57 119.36 122.15 1sby n ILE 171 Ca -0.03 -0.48 0.03 0.00 1.00 0.00 0.00 62.75 63.27 1sby n ILE 171 Cb 0.08 -1.81 -0.12 0.00 -0.71 0.00 0.00 39.64 37.09 1sby n ILE 171 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1sby n THR 172 N -3.75 0.77 -0.88 1.39 -2.24 -0.72 -4.48 114.28 104.36 1sby n THR 172 Ca -0.33 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1sby n THR 172 Cb 0.94 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.40 0.78 3.22 3.38 0.00 0.43 -0.94 105.19 113.46 1sby n GLY 173 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.02 3.59 0.52 1.61 1.01 -1.26 -1.52 120.40 121.33 1sby s VAL 174 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 1sby s VAL 174 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1sby s VAL 174 CO 0.00 -0.31 0.80 0.42 0.00 0.00 0.00 175.10 176.01 1sby s THR 175 N 1.32 4.03 0.00 3.92 -4.23 -0.27 -3.94 115.64 116.48 1sby s THR 175 Ca 0.00 -0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.14 1sby s THR 175 Cb -0.21 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.14 1sby s THR 175 CO 0.01 -0.50 0.58 0.00 -0.54 0.00 0.00 174.62 174.16 1sby s ALA 176 N -2.80 -1.49 0.10 3.99 0.00 -1.26 -0.73 121.76 119.57 1sby s ALA 176 Ca 0.51 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 1sby s ALA 176 Cb -0.10 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1sby s ALA 176 CO 0.43 -0.43 0.32 1.52 0.00 0.00 0.00 175.76 177.59 1sby s TYR 177 N -1.82 -0.07 -0.01 0.00 -0.85 -0.70 -0.44 117.35 113.46 1sby s TYR 177 Ca -0.08 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1sby s TYR 177 Cb -0.01 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 1sby s TYR 177 CO 0.04 -0.62 0.05 -1.54 -1.52 0.00 0.00 175.55 171.96 1sby s SER 178 N -2.70 5.47 -0.27 -0.18 1.04 -0.81 -1.91 113.70 114.33 1sby s SER 178 Ca 0.02 0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 1sby s SER 178 Cb 0.02 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.64 1sby s SER 178 CO -0.10 0.28 -0.01 -0.63 0.98 0.00 0.00 173.24 173.77 1sby s ILE 179 N -1.13 3.25 -0.57 -1.02 -1.09 0.15 -1.27 121.20 119.52 1sby s ILE 179 Ca 0.21 -0.97 0.04 0.00 -2.23 0.00 0.00 60.65 57.71 1sby s ILE 179 Cb -0.12 -2.69 0.14 0.00 -1.58 0.00 0.00 42.46 38.21 1sby s ILE 179 CO 0.12 0.12 0.32 0.20 -1.23 0.00 0.00 174.94 174.47 1sby s ASN 180 N 1.37 4.42 0.44 3.58 0.01 0.51 -0.81 114.94 124.46 1sby s ASN 180 Ca 0.00 -3.24 -0.24 0.00 -0.71 0.00 0.00 52.86 48.68 1sby s ASN 180 Cb -0.17 -1.61 -0.08 0.00 0.41 0.00 0.00 41.25 39.80 1sby s ASN 180 CO -0.02 -0.19 1.22 -2.84 -1.51 0.00 0.00 177.10 173.77 1sby s PRO 181 N -0.59 3.81 0.00 -0.60 0.02 -1.26 -1.32 135.00 135.05 1sby s PRO 181 Ca 0.19 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1sby s PRO 181 Cb -0.20 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1sby s PRO 181 CO -0.05 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 1sby n GLY 182 N 0.59 -1.29 3.69 0.52 0.00 0.22 -2.13 105.19 106.78 1sby n GLY 182 Ca 0.06 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.89 3.45 -0.06 -0.61 -1.09 -1.26 -4.94 121.20 115.80 1sby s ILE 183 Ca 0.00 0.83 0.02 0.00 -2.23 0.00 0.00 60.65 59.27 1sby s ILE 183 Cb 0.00 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1sby s ILE 183 CO 0.00 -0.01 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.70 1sby s THR 184 N 2.65 1.03 -0.71 2.92 2.01 -1.26 -1.81 115.64 120.47 1sby s THR 184 Ca 0.68 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1sby s THR 184 Cb -0.35 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1sby s THR 184 CO 0.29 0.33 1.44 -0.13 -0.69 0.00 0.00 174.62 175.85 1sby s ARG 185 N 0.59 3.04 0.17 4.92 0.52 -0.62 -4.79 118.95 122.79 1sby s ARG 185 Ca -0.12 -0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1sby s ARG 185 Cb -0.14 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.05 1sby s ARG 185 CO 0.03 -2.31 0.13 0.95 0.02 0.00 0.00 175.30 174.11 1sby s THR 186 N 6.63 0.05 0.58 0.02 -4.23 -1.26 -4.18 115.64 113.25 1sby s THR 186 Ca 0.44 -1.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.34 1sby s THR 186 Cb -0.09 -2.23 0.36 0.00 1.34 0.00 0.00 72.50 71.88 1sby s THR 186 CO 0.16 -0.23 2.08 -0.65 -0.54 0.00 0.00 174.62 175.44 1sby h PRO 187 N 2.71 0.00 -0.83 3.99 0.11 -1.99 -2.74 132.00 133.24 1sby h PRO 187 Ca -0.35 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.97 1sby h PRO 187 Cb 1.23 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.20 1sby h PRO 187 CO 0.54 0.00 0.12 1.25 -0.21 0.00 0.00 178.00 179.70 1sby h LEU 188 N 0.00 -0.19 -1.19 2.35 5.85 -1.93 -3.29 115.31 116.91 1sby h LEU 188 Ca 0.11 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1sby h LEU 188 Cb 0.55 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1sby h LEU 188 CO -0.00 -0.18 -0.15 1.33 -0.34 0.00 0.00 178.44 179.10 1sby n VAL 189 N -5.30 0.00 -0.00 1.05 0.24 -1.03 -4.63 118.33 108.66 1sby n VAL 189 Ca 0.18 -0.42 -0.18 0.00 -2.04 0.00 0.00 64.34 61.88 1sby n VAL 189 Cb 0.59 1.23 -0.09 0.00 -1.47 0.00 0.00 33.84 34.10 1sby n VAL 189 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1sby h HIS 190 N 2.20 0.92 -3.52 6.34 3.86 -1.64 -3.43 115.15 119.87 1sby h HIS 190 Ca 0.00 -0.45 -0.32 0.00 -1.16 0.00 0.00 60.37 58.45 1sby h HIS 190 Cb 0.54 -0.13 -0.34 0.00 1.06 0.00 0.00 27.41 28.55 1sby h HIS 190 CO 0.00 1.27 -0.74 0.95 0.86 0.00 0.00 177.93 180.27 1sby s THR 191 N -3.52 0.05 0.17 2.45 -4.23 -1.26 -4.65 115.64 104.65 1sby s THR 191 Ca -0.11 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.32 1sby s THR 191 Cb 0.07 -0.16 0.06 0.00 1.34 0.00 0.00 72.50 73.80 1sby s THR 191 CO 0.88 0.11 0.60 0.72 -0.54 0.00 0.00 174.62 176.39 1sby s PHE 192 N 0.99 -0.46 -0.14 3.99 -0.12 -1.26 -4.94 117.98 116.04 1sby s PHE 192 Ca -0.09 0.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.81 1sby s PHE 192 Cb -0.13 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1sby s PHE 192 CO -0.02 -0.89 0.53 -0.80 -0.05 0.00 0.00 175.22 173.99 1sby s ASN 193 N -2.78 6.70 0.36 1.98 0.01 -1.26 -4.65 114.94 115.30 1sby s ASN 193 Ca 0.03 0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 52.90 1sby s ASN 193 Cb -0.01 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 39.27 1sby s ASN 193 CO -0.10 -0.08 0.73 -0.94 -1.51 0.00 0.00 177.10 175.20 1sby s SER 194 N 0.81 6.60 0.10 -1.22 1.04 -1.26 -1.71 113.70 118.05 1sby s SER 194 Ca 0.27 1.14 -0.31 0.00 0.48 0.00 0.00 55.95 57.53 1sby s SER 194 Cb -0.16 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 1sby s SER 194 CO 0.11 -0.31 1.73 0.86 0.98 0.00 0.00 173.24 176.61 1sby s TRP 195 N -2.21 2.31 -1.18 5.02 -0.00 -0.91 -1.86 118.94 120.11 1sby s TRP 195 Ca 0.51 0.17 -0.01 0.00 -0.00 0.00 0.00 56.10 56.77 1sby s TRP 195 Cb -0.10 -4.06 0.01 0.00 -0.00 0.00 0.00 33.47 29.31 1sby s TRP 195 CO 0.27 -4.32 0.09 1.28 -0.00 0.00 0.00 176.95 174.27 1sby n LEU 196 N 5.59 -1.35 -4.00 5.86 4.77 -1.26 -1.50 117.00 125.10 1sby n LEU 196 Ca 0.17 0.08 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 1sby n LEU 196 Cb 0.39 -2.27 -0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1sby n LEU 196 CO 0.64 -0.08 0.04 0.47 -1.33 0.00 0.00 177.39 177.12 1sby n ASP 197 N -1.92 -4.08 0.16 -1.43 8.00 -0.78 -4.84 116.55 111.65 1sby n ASP 197 Ca -0.14 -0.84 0.05 0.00 0.71 0.00 0.00 54.79 54.57 1sby n ASP 197 Cb 0.61 -3.30 0.50 0.00 -0.02 0.00 0.00 41.12 38.92 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 -1.71 1.09 -2.02 2.53 -1.51 -1.48 -3.37 116.25 109.79 1sby h VAL 198 Ca -0.57 -0.35 -0.40 0.00 -1.23 0.00 0.00 66.70 64.15 1sby h VAL 198 Cb 1.37 1.00 -0.32 0.00 -2.13 0.00 0.00 31.29 31.21 1sby h VAL 198 CO 0.71 0.12 -0.71 -0.70 -1.23 0.00 0.00 177.57 175.76 1sby s GLU 199 N -5.00 0.64 0.63 5.19 2.56 -1.26 -4.99 118.70 116.46 1sby s GLU 199 Ca -0.06 -0.95 0.37 0.00 0.00 0.00 0.00 54.97 54.33 1sby s GLU 199 Cb 0.16 -0.80 2.12 0.00 2.00 0.00 0.00 34.13 37.61 1sby s GLU 199 CO 0.70 -1.20 2.30 -1.35 -0.56 0.00 0.00 175.26 175.15 1sby h PRO 200 N 7.00 0.00 -0.64 4.30 0.11 -1.96 -1.87 132.00 138.95 1sby h PRO 200 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1sby h PRO 200 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sby h PRO 200 CO 0.20 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.53 1sby n ARG 201 N -3.44 3.16 -0.34 1.05 1.74 -1.26 -4.67 116.66 112.89 1sby n ARG 201 Ca -0.03 -2.42 0.06 0.00 -0.77 0.00 0.00 57.85 54.69 1sby n ARG 201 Cb 0.10 -1.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.01 1sby n ARG 201 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1sby h VAL 202 N 3.58 0.91 -0.23 1.55 3.04 -1.64 -1.15 116.25 122.30 1sby h VAL 202 Ca 0.00 -0.31 -0.10 0.00 -1.01 0.00 0.00 66.70 65.28 1sby h VAL 202 Cb 1.19 -0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1sby h VAL 202 CO 0.16 0.17 -0.25 0.00 -1.01 0.00 0.00 177.57 176.63 1sby h ALA 203 N 1.51 0.35 -0.48 3.17 0.00 -1.83 -0.92 119.26 121.06 1sby h ALA 203 Ca 0.46 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1sby h ALA 203 Cb 0.44 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1sby h ALA 203 CO -0.26 0.33 0.12 1.49 0.00 0.00 0.00 179.25 180.92 1sby h GLU 204 N 0.28 0.26 -0.23 0.00 4.81 -1.65 -0.47 114.58 117.59 1sby h GLU 204 Ca 0.04 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1sby h GLU 204 Cb 0.81 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1sby h GLU 204 CO 0.06 0.17 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.28 1sby h LEU 205 N 0.26 0.53 -0.72 1.64 3.38 -1.13 -2.71 115.31 116.56 1sby h LEU 205 Ca 0.24 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1sby h LEU 205 Cb 0.29 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1sby h LEU 205 CO -0.29 0.86 0.41 0.25 0.09 0.00 0.00 178.44 179.76 1sby h LEU 206 N 0.20 0.62 -0.25 1.67 5.85 -0.94 -1.81 115.31 120.65 1sby h LEU 206 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1sby h LEU 206 Cb 0.68 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1sby h LEU 206 CO 0.04 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 1sby n LEU 207 N -4.75 0.37 -0.21 2.25 4.77 -0.20 -2.79 117.00 116.44 1sby n LEU 207 Ca 0.09 -0.15 0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1sby n LEU 207 Cb 0.18 -0.02 0.58 0.00 -2.33 0.00 0.00 43.42 41.83 1sby n LEU 207 CO 0.29 0.07 0.89 -1.20 -1.33 0.00 0.00 177.39 176.11 1sby n SER 208 N -0.58 0.63 -4.65 -1.43 7.64 -0.68 -4.87 113.62 109.69 1sby n SER 208 Ca 0.16 -1.42 -0.27 0.00 1.01 0.00 0.00 58.87 58.35 1sby n SER 208 Cb 0.13 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.94 2.53 0.39 1.43 3.76 -1.12 -5.10 115.29 115.24 1sby s HIS 209 Ca 0.34 -0.65 -0.27 0.00 -0.15 0.00 0.00 55.06 54.33 1sby s HIS 209 Cb 0.17 -1.82 -0.11 0.00 1.11 0.00 0.00 32.58 31.93 1sby s HIS 209 CO 0.27 0.39 1.32 -2.30 -0.85 0.00 0.00 174.74 173.57 1sby n PRO 210 N -1.03 2.11 -3.91 8.40 -0.02 -1.26 -5.01 135.00 134.28 1sby n PRO 210 Ca -0.04 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.00 1sby n PRO 210 Cb 0.66 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.04 0.00 -4.37 3.45 -2.24 -1.26 -4.86 114.28 105.03 1sby n THR 211 Ca 0.05 -2.01 -0.19 0.00 -2.27 0.00 0.00 64.05 59.63 1sby n THR 211 Cb 0.39 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 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 -3.19 1.44 0.52 -0.78 -2.07 -0.75 -4.69 119.66 110.14 1sby s GLN 212 Ca 0.28 -1.74 -0.03 0.00 -1.82 0.00 0.00 55.36 52.05 1sby s GLN 212 Cb 0.01 -0.82 -0.00 0.00 -1.09 0.00 0.00 33.01 31.11 1sby s GLN 212 CO 0.20 -0.06 0.80 0.95 -1.32 0.00 0.00 175.29 175.85 1sby s THR 213 N -3.27 3.90 0.32 3.63 -4.23 -1.26 -1.59 115.64 113.14 1sby s THR 213 Ca 0.29 -0.19 0.22 0.00 -1.18 0.00 0.00 61.69 60.84 1sby s THR 213 Cb 0.05 -3.50 0.22 0.00 1.34 0.00 0.00 72.50 70.61 1sby s THR 213 CO 0.10 -0.44 1.93 0.77 -0.54 0.00 0.00 174.62 176.44 1sby h SER 214 N 0.10 0.00 0.24 3.99 4.64 -1.92 -2.06 113.55 118.53 1sby h SER 214 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1sby h SER 214 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sby h SER 214 CO 0.59 0.22 -0.11 -0.08 -0.87 0.00 0.00 176.83 176.58 1sby h GLU 215 N 0.00 -0.31 -0.51 4.77 4.81 -1.93 0.91 114.58 122.32 1sby h GLU 215 Ca -0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1sby h GLU 215 Cb 0.55 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 1sby h GLU 215 CO 0.03 -0.09 -0.22 1.96 -0.73 0.00 0.00 179.01 179.96 1sby h GLN 216 N -0.47 -0.10 -0.57 1.92 4.20 -1.95 -0.62 115.11 117.53 1sby h GLN 216 Ca -0.03 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1sby h GLN 216 Cb 0.36 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1sby h GLN 216 CO 0.05 -0.06 0.36 0.00 -0.67 0.00 0.00 178.83 178.51 1sby h GLY 218 N 0.71 1.03 0.96 0.00 0.00 -0.36 0.53 103.07 105.94 1sby h GLY 218 Ca 0.22 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1sby h GLY 218 CO -0.08 0.62 0.14 1.46 0.00 0.00 0.00 176.54 178.68 1sby h GLN 219 N 0.90 0.33 0.00 4.80 4.20 -0.86 -2.14 115.11 122.34 1sby h GLN 219 Ca 0.18 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 1sby h GLN 219 Cb 0.42 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1sby h GLN 219 CO 0.01 0.28 -0.53 -0.91 -0.67 0.00 0.00 178.83 177.01 1sby h ASN 220 N 0.29 0.00 0.00 1.46 2.35 -0.90 -2.50 115.58 116.29 1sby h ASN 220 Ca 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1sby h ASN 220 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1sby h ASN 220 CO -0.02 0.53 -0.00 0.15 -1.65 0.00 0.00 177.43 176.44 1sby h PHE 221 N 0.00 -0.00 -0.25 1.19 -0.00 -0.67 -0.26 116.94 116.95 1sby h PHE 221 Ca -0.01 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.87 1sby h PHE 221 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.90 1sby h PHE 221 CO 0.00 0.02 -0.23 0.28 -0.00 0.00 0.00 178.31 178.38 1sby h VAL 222 N -0.02 1.26 -0.81 1.41 2.07 -1.24 -1.12 116.25 117.80 1sby h VAL 222 Ca -0.00 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1sby h VAL 222 Cb 0.02 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1sby h VAL 222 CO 0.00 0.39 0.53 0.11 0.02 0.00 0.00 177.57 178.62 1sby h LYS 223 N 0.42 1.05 -0.59 1.57 1.79 -1.19 -0.20 116.57 119.41 1sby h LYS 223 Ca 0.06 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1sby h LYS 223 Cb 0.63 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1sby h LYS 223 CO 0.04 0.69 0.24 0.00 -1.08 0.00 0.00 179.45 179.35 1sby h ALA 224 N 1.30 0.77 -0.47 3.86 0.00 -0.41 -0.60 119.26 123.71 1sby h ALA 224 Ca 0.30 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1sby h ALA 224 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1sby h ALA 224 CO -0.07 0.38 0.21 0.82 0.00 0.00 0.00 179.25 180.59 1sby h ILE 225 N 0.82 0.92 -0.06 0.00 2.04 -0.75 -2.39 117.51 118.09 1sby h ILE 225 Ca 0.20 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1sby h ILE 225 Cb 0.20 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1sby h ILE 225 CO -0.02 0.08 -0.23 -0.33 0.00 0.00 0.00 178.15 177.65 1sby h GLU 226 N 0.42 0.10 -0.34 2.37 5.08 -0.61 -2.03 114.58 119.57 1sby h GLU 226 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1sby h GLU 226 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1sby h GLU 226 CO -0.17 0.33 -0.06 0.00 -1.00 0.00 0.00 179.01 178.11 1sby h ALA 227 N 1.68 1.27 -6.10 3.43 0.00 -0.62 -2.83 119.26 116.08 1sby h ALA 227 Ca 0.02 -0.24 -0.40 0.00 0.00 0.00 0.00 54.91 54.28 1sby h ALA 227 Cb 0.46 -0.15 0.11 0.00 0.00 0.00 0.00 17.79 18.21 1sby h ALA 227 CO 0.03 0.48 -0.93 -1.71 0.00 0.00 0.00 179.25 177.13 1sby n ASN 228 N -4.23 -5.57 -4.21 0.00 4.05 -0.76 -4.64 115.26 99.89 1sby n ASN 228 Ca 0.01 -0.97 -0.38 0.00 0.45 0.00 0.00 54.58 53.69 1sby n ASN 228 Cb 0.29 -3.67 -0.11 0.00 1.23 0.00 0.00 39.78 37.52 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 -5.72 2.39 0.19 1.20 -0.14 -1.26 -4.91 119.74 111.48 1sby s LYS 229 Ca 0.48 -1.57 -0.33 0.00 -1.36 0.00 0.00 55.97 53.19 1sby s LYS 229 Cb -0.15 -3.66 -0.13 0.00 -1.68 0.00 0.00 37.83 32.20 1sby s LYS 229 CO 0.84 -0.97 1.63 -1.71 -0.76 0.00 0.00 175.35 174.38 1sby n ASN 230 N 4.79 3.48 0.00 2.83 5.15 -1.26 -1.56 115.26 128.69 1sby n ASN 230 Ca -0.08 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 1sby n ASN 230 Cb 0.42 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 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 3.53 1.24 3.76 8.20 0.00 0.42 -4.96 105.19 117.38 1sby n GLY 231 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.41 2.81 -0.47 4.61 0.00 -0.60 -4.91 121.76 119.78 1sby s ALA 232 Ca 0.00 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1sby s ALA 232 Cb 0.00 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1sby s ALA 232 CO 0.00 -1.13 0.22 0.42 0.00 0.00 0.00 175.76 175.27 1sby s ILE 233 N -1.42 2.30 -0.10 0.00 1.01 -1.26 -1.93 121.20 119.81 1sby s ILE 233 Ca 0.70 -3.00 -0.22 0.00 0.00 0.00 0.00 60.65 58.14 1sby s ILE 233 Cb -0.35 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1sby s ILE 233 CO 0.41 -0.78 0.63 0.26 0.00 0.00 0.00 174.94 175.46 1sby s TRP 234 N 0.04 3.54 -0.24 3.97 0.52 -0.40 -0.85 118.94 125.52 1sby s TRP 234 Ca 0.16 1.12 -0.10 0.00 0.02 0.00 0.00 56.10 57.30 1sby s TRP 234 Cb -0.24 -2.74 -0.05 0.00 -1.15 0.00 0.00 33.47 29.29 1sby s TRP 234 CO -0.02 0.08 0.15 0.21 0.02 0.00 0.00 176.95 177.39 1sby s LYS 235 N 0.88 3.99 -0.59 4.98 2.20 0.13 -0.36 119.74 130.97 1sby s LYS 235 Ca 0.33 -0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1sby s LYS 235 Cb -0.17 -3.50 0.15 0.00 -1.51 0.00 0.00 37.83 32.79 1sby s LYS 235 CO 0.15 0.01 0.35 -0.51 -0.36 0.00 0.00 175.35 175.00 1sby s LEU 236 N 1.17 4.59 -0.01 5.43 1.02 -0.44 -1.43 118.68 129.01 1sby s LEU 236 Ca 0.07 -3.21 0.01 0.00 0.02 0.00 0.00 54.13 51.02 1sby s LEU 236 Cb -0.14 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.40 1sby s LEU 236 CO 0.05 -0.21 -0.04 -0.62 0.02 0.00 0.00 176.35 175.55 1sby s ASP 237 N -0.43 0.61 -1.36 2.29 2.15 -1.03 -0.61 116.67 118.30 1sby s ASP 237 Ca 0.19 -0.09 -0.08 0.00 0.43 0.00 0.00 52.55 53.01 1sby s ASP 237 Cb -0.20 -0.15 0.05 0.00 -0.30 0.00 0.00 42.92 42.32 1sby s ASP 237 CO -0.04 0.02 0.52 0.18 -0.17 0.00 0.00 175.17 175.67 1sby n LEU 238 N 3.33 -1.89 0.00 -1.34 4.77 -1.26 -1.78 117.00 118.83 1sby n LEU 238 Ca -0.17 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1sby n LEU 238 Cb 0.56 -2.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 1sby n LEU 238 CO 0.25 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1sby n GLY 239 N -1.28 0.59 3.62 -0.72 0.00 -1.26 -4.99 105.19 101.15 1sby n GLY 239 Ca -0.05 0.00 -0.25 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 -2.20 2.50 -0.16 2.61 -4.23 -0.73 -4.98 115.64 108.45 1sby s THR 240 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1sby s THR 240 Cb 0.00 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1sby s THR 240 CO 0.00 -0.18 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.49 1sby s LEU 241 N -3.71 2.21 -0.02 4.79 2.96 -1.26 -2.46 118.68 121.20 1sby s LEU 241 Ca 0.35 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1sby s LEU 241 Cb 0.01 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1sby s LEU 241 CO 0.19 0.06 0.04 -0.70 -1.32 0.00 0.00 176.35 174.61 1sby s GLU 242 N 0.97 0.02 -0.07 1.98 2.12 -0.51 -5.00 118.70 118.21 1sby s GLU 242 Ca -0.03 0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.21 1sby s GLU 242 Cb -0.15 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 1sby s GLU 242 CO -0.05 -0.05 0.50 0.00 -0.54 0.00 0.00 175.26 175.12 1sby s ALA 243 N 0.30 3.52 0.16 6.30 0.00 -1.26 0.17 121.76 130.95 1sby s ALA 243 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1sby s ALA 243 Cb -0.03 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1sby s ALA 243 CO -0.01 0.13 0.22 0.96 0.00 0.00 0.00 175.76 177.05 1sby s ILE 244 N 0.12 4.91 -0.27 0.00 -4.36 -0.03 -4.94 121.20 116.63 1sby s ILE 244 Ca 0.27 -0.90 -0.14 0.00 -0.26 0.00 0.00 60.65 59.62 1sby s ILE 244 Cb -0.16 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 1sby s ILE 244 CO 0.13 -0.11 0.35 -0.70 0.24 0.00 0.00 174.94 174.84 1sby s GLU 245 N -3.21 3.99 0.04 0.37 2.12 -1.26 -4.46 118.70 116.29 1sby s GLU 245 Ca 0.33 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 1sby s GLU 245 Cb -0.10 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 1sby s GLU 245 CO 0.26 -0.27 1.17 -0.46 -0.54 0.00 0.00 175.26 175.42 1sby s TRP 246 N 2.02 3.45 0.22 5.30 -0.11 -1.26 -4.98 118.94 123.59 1sby s TRP 246 Ca 0.14 1.35 -0.30 0.00 1.22 0.00 0.00 56.10 58.51 1sby s TRP 246 Cb -0.16 -3.38 -0.09 0.00 -1.50 0.00 0.00 33.47 28.34 1sby s TRP 246 CO 0.10 -1.11 1.31 0.99 -4.62 0.00 0.00 176.95 173.62 1sby s THR 247 N 1.13 3.13 -0.98 5.86 2.01 -1.26 -4.96 115.64 120.57 1sby s THR 247 Ca 0.58 0.96 -0.15 0.00 0.31 0.00 0.00 61.69 63.38 1sby s THR 247 Cb -0.28 -3.61 0.18 0.00 0.01 0.00 0.00 72.50 68.80 1sby s THR 247 CO 0.29 0.16 1.09 -0.75 -0.69 0.00 0.00 174.62 174.71 1sby s LYS 248 N -0.42 3.77 0.20 4.92 2.20 -1.26 -4.80 119.74 124.35 1sby s LYS 248 Ca 0.55 -2.28 0.11 0.00 -0.36 0.00 0.00 55.97 53.99 1sby s LYS 248 Cb -0.37 -4.77 -0.07 0.00 -1.51 0.00 0.00 37.83 31.11 1sby s LYS 248 CO 0.41 -1.58 1.36 0.45 -0.36 0.00 0.00 175.35 175.63 1sby h HIS 249 N 7.97 0.00 -2.58 4.03 3.86 -2.05 -3.47 115.15 122.92 1sby h HIS 249 Ca 0.18 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1sby h HIS 249 Cb 0.98 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.26 1sby h HIS 249 CO 1.07 0.75 -0.02 -0.46 0.86 0.00 0.00 177.93 180.13 1sby s TRP 250 N -2.84 -0.42 -0.04 2.45 -0.00 -1.26 -5.16 118.94 111.67 1sby s TRP 250 Ca 0.02 0.64 -0.00 0.00 -0.00 0.00 0.00 56.10 56.76 1sby s TRP 250 Cb 0.09 0.27 0.03 0.00 -0.00 0.00 0.00 33.47 33.86 1sby s TRP 250 CO 0.78 -0.53 0.00 0.34 -0.00 0.00 0.00 176.95 177.54 1sby s ASP 251 N -1.44 0.83 0.53 5.86 3.68 -1.26 -5.02 116.67 119.84 1sby s ASP 251 Ca -0.10 -0.03 0.29 0.00 2.13 0.00 0.00 52.55 54.84 1sby s ASP 251 Cb -0.02 -0.28 1.45 0.00 -1.45 0.00 0.00 42.92 42.62 1sby s ASP 251 CO 0.05 -0.14 2.05 0.77 0.13 0.00 0.00 175.17 178.03 1sby h SER 252 N 7.64 0.00 -0.24 -0.34 4.64 -2.05 -3.46 113.55 119.74 1sby h SER 252 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1sby h SER 252 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 1sby h SER 252 CO 0.38 0.11 -0.09 1.41 -0.87 0.00 0.00 176.83 177.77 1sby n HIS 253 N -3.46 0.00 -0.05 4.77 -0.00 -1.26 -5.37 115.22 109.86 1sby n HIS 253 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1sby n HIS 253 Cb 0.26 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 1sby n HIS 253 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78