#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1o s HIS 2 N 0.00 -0.67 0.19 2.03 5.04 -1.26 -4.91 115.29 115.70 1o1o s HIS 2 Ca 0.00 0.46 0.11 0.00 -1.54 0.00 0.00 55.06 54.09 1o1o s HIS 2 Cb 0.00 0.14 -0.04 0.00 0.04 0.00 0.00 32.58 32.72 1o1o s HIS 2 CO 0.00 -0.39 -0.23 -0.51 -2.34 0.00 0.00 174.74 171.28 1o1o s LEU 3 N 2.94 2.43 0.66 8.88 1.43 -1.26 -5.14 118.68 128.62 1o1o s LEU 3 Ca 0.19 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1o1o s LEU 3 Cb -0.05 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1o1o s LEU 3 CO -0.21 0.08 1.05 0.42 0.23 0.00 0.00 176.35 177.93 1o1o s THR 4 N -1.75 4.34 0.34 5.49 -4.23 -1.26 -4.84 115.64 113.74 1o1o s THR 4 Ca 0.19 0.76 0.12 0.00 -1.18 0.00 0.00 61.69 61.58 1o1o s THR 4 Cb -0.07 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.44 1o1o s THR 4 CO 0.09 -0.99 1.76 -0.65 -0.54 0.00 0.00 174.62 174.29 1o1o h PRO 5 N -0.50 0.55 -0.01 3.99 0.11 -2.01 -0.98 132.00 133.14 1o1o h PRO 5 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1o1o h PRO 5 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1o1o h PRO 5 CO 0.60 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.81 1o1o h GLU 6 N 0.57 0.02 -0.66 1.05 9.09 -2.00 -1.97 114.58 120.68 1o1o h GLU 6 Ca 0.60 -0.01 0.01 0.00 0.05 0.00 0.00 59.36 60.02 1o1o h GLU 6 Cb 1.21 -0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 1o1o h GLU 6 CO -0.37 0.26 0.43 0.93 0.05 0.00 0.00 179.01 180.31 1o1o h GLU 7 N -0.22 0.85 -0.58 1.06 5.08 -1.69 -2.27 114.58 116.81 1o1o h GLU 7 Ca 0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1o1o h GLU 7 Cb 0.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1o1o h GLU 7 CO 0.00 0.56 0.01 -0.22 -1.00 0.00 0.00 179.01 178.36 1o1o h LYS 8 N 0.87 1.03 -0.38 2.33 3.64 -1.17 -2.04 116.57 120.85 1o1o h LYS 8 Ca 0.25 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1o1o h LYS 8 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1o1o h LYS 8 CO -0.07 1.01 -0.01 1.03 -2.27 0.00 0.00 179.45 179.15 1o1o h SER 9 N 0.92 0.58 -0.53 4.20 0.87 -1.11 -1.38 113.55 117.09 1o1o h SER 9 Ca 0.17 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1o1o h SER 9 Cb 0.54 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1o1o h SER 9 CO 0.03 0.65 -0.13 0.00 -0.53 0.00 0.00 176.83 176.85 1o1o h ALA 10 N 1.42 0.75 0.02 6.23 0.00 -1.16 -0.38 119.26 126.14 1o1o h ALA 10 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1o1o h ALA 10 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1o1o h ALA 10 CO 0.01 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.21 1o1o h VAL 11 N 0.91 1.17 -0.64 0.00 2.07 -1.15 -2.77 116.25 115.83 1o1o h VAL 11 Ca 0.13 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1o1o h VAL 11 Cb 0.71 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1o1o h VAL 11 CO 0.05 0.15 0.07 0.71 0.02 0.00 0.00 177.57 178.58 1o1o h THR 12 N -0.29 1.26 -0.59 2.57 1.35 -1.18 -1.70 112.91 114.33 1o1o h THR 12 Ca -0.00 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.74 1o1o h THR 12 Cb 0.28 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.36 1o1o h THR 12 CO 0.01 0.40 0.18 0.00 -0.25 0.00 0.00 175.52 175.85 1o1o h ALA 13 N 1.06 0.78 -0.42 6.62 0.00 -1.10 -2.43 119.26 123.77 1o1o h ALA 13 Ca 0.19 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1o1o h ALA 13 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1o1o h ALA 13 CO 0.02 0.45 -0.22 1.25 0.00 0.00 0.00 179.25 180.75 1o1o h LEU 14 N 0.85 0.92 -1.87 0.00 5.85 -1.30 -3.15 115.31 116.60 1o1o h LEU 14 Ca 0.19 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1o1o h LEU 14 Cb 0.29 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1o1o h LEU 14 CO -0.01 1.13 -0.12 -0.25 -0.34 0.00 0.00 178.44 178.85 1o1o h TRP 15 N 0.71 0.00 0.00 1.25 2.91 -1.04 -1.02 115.95 118.76 1o1o h TRP 15 Ca 0.09 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1o1o h TRP 15 Cb 0.79 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1o1o h TRP 15 CO 0.06 0.12 0.00 0.78 -1.03 0.00 0.00 178.44 178.37 1o1o h GLY 16 N 0.50 0.00 -1.68 2.65 0.00 -1.39 -2.19 103.07 100.95 1o1o h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1o h GLY 16 CO 0.02 0.00 -0.07 0.28 0.00 0.00 0.00 176.54 176.77 1o1o n LYS 17 N -2.66 2.00 -3.14 4.80 5.02 -0.39 -4.96 118.16 118.83 1o1o n LYS 17 Ca -0.02 -1.71 -0.39 0.00 -2.02 0.00 0.00 58.31 54.17 1o1o n LYS 17 Cb 0.08 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1o1o n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1o s VAL 18 N -1.95 5.10 -0.59 -0.18 1.01 -0.82 -5.03 120.40 117.93 1o1o s VAL 18 Ca 0.25 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 1o1o s VAL 18 Cb 0.19 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1o1o s VAL 18 CO 0.32 0.28 1.11 0.21 0.00 0.00 0.00 175.10 177.02 1o1o s ASN 19 N 0.72 6.37 0.22 3.32 3.84 -1.26 -4.91 114.94 123.25 1o1o s ASN 19 Ca 0.33 -0.14 -0.06 0.00 0.21 0.00 0.00 52.86 53.20 1o1o s ASN 19 Cb -0.17 -2.51 0.20 0.00 -0.55 0.00 0.00 41.25 38.22 1o1o s ASN 19 CO 0.15 -1.43 1.77 0.58 -2.79 0.00 0.00 177.10 175.38 1o1o h VAL 20 N 6.09 1.26 -0.32 -5.21 2.07 -1.95 0.04 116.25 118.23 1o1o h VAL 20 Ca -0.26 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1o1o h VAL 20 Cb 1.06 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1o1o h VAL 20 CO 1.16 0.34 0.13 0.44 0.02 0.00 0.00 177.57 179.66 1o1o h ASP 21 N 1.06 0.44 -0.08 0.57 5.19 -1.91 0.33 116.42 122.03 1o1o h ASP 21 Ca 0.23 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1o1o h ASP 21 Cb 0.29 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1o1o h ASP 21 CO -0.01 0.48 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.47 1o1o h GLU 22 N 0.36 0.16 -0.48 3.56 4.81 -1.86 -2.14 114.58 118.99 1o1o h GLU 22 Ca 0.11 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1o1o h GLU 22 Cb 0.18 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1o1o h GLU 22 CO -0.01 0.54 -0.02 0.28 -0.73 0.00 0.00 179.01 179.06 1o1o h VAL 23 N -0.22 1.25 -0.49 0.32 2.07 -1.02 -1.29 116.25 116.87 1o1o h VAL 23 Ca 0.02 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1o1o h VAL 23 Cb 0.49 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1o1o h VAL 23 CO 0.01 0.37 -0.04 1.23 0.02 0.00 0.00 177.57 179.17 1o1o h GLY 24 N 0.98 0.97 1.01 2.17 0.00 -0.88 0.52 103.07 107.84 1o1o h GLY 24 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1o1o h GLY 24 CO 0.02 0.68 0.46 -1.33 0.00 0.00 0.00 176.54 176.38 1o1o h GLY 25 N 0.76 1.12 0.92 4.60 0.00 -1.21 -1.48 103.07 107.78 1o1o h GLY 25 Ca 0.14 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1o1o h GLY 25 CO 0.03 0.45 0.02 -2.09 0.00 0.00 0.00 176.54 174.96 1o1o h GLU 26 N 1.05 0.63 -0.35 4.80 4.81 -0.99 -1.10 114.58 123.43 1o1o h GLU 26 Ca 0.28 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1o1o h GLU 26 Cb -0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1o1o h GLU 26 CO -0.05 0.72 -0.26 0.00 -0.73 0.00 0.00 179.01 178.69 1o1o h ALA 27 N 0.88 0.50 -0.30 2.92 0.00 -0.74 0.29 119.26 122.82 1o1o h ALA 27 Ca 0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1o1o h ALA 27 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1o1o h ALA 27 CO 0.01 0.51 0.03 1.25 0.00 0.00 0.00 179.25 181.05 1o1o h LEU 28 N 0.58 0.49 -0.38 0.00 5.85 -1.29 -1.01 115.31 119.56 1o1o h LEU 28 Ca 0.07 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1o1o h LEU 28 Cb 0.83 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1o1o h LEU 28 CO 0.07 0.65 -0.16 1.23 -0.34 0.00 0.00 178.44 179.89 1o1o h GLY 29 N 0.32 0.15 1.53 3.75 0.00 -1.05 -1.68 103.07 106.09 1o1o h GLY 29 Ca 0.09 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 1o1o h GLY 29 CO 0.01 -0.18 -0.03 3.21 0.00 0.00 0.00 176.54 179.55 1o1o h ARG 30 N -0.09 0.58 -0.56 4.80 3.08 -0.85 -1.09 114.38 120.25 1o1o h ARG 30 Ca 0.19 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1o1o h ARG 30 Cb 0.37 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1o1o h ARG 30 CO -0.44 0.62 0.29 1.25 -1.07 0.00 0.00 179.97 180.62 1o1o h LEU 31 N 0.54 0.41 -0.77 3.04 5.85 -0.44 0.26 115.31 124.21 1o1o h LEU 31 Ca 0.11 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1o1o h LEU 31 Cb 0.39 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1o1o h LEU 31 CO 0.02 0.28 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.03 1o1o h LEU 32 N 0.55 0.00 0.14 2.25 3.38 -0.72 -1.60 115.31 119.31 1o1o h LEU 32 Ca 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1o1o h LEU 32 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1o1o h LEU 32 CO -0.17 0.29 -1.02 0.58 0.09 0.00 0.00 178.44 178.21 1o1o h VAL 33 N 0.00 1.37 0.07 1.22 2.07 -0.77 -3.26 116.25 116.95 1o1o h VAL 33 Ca -0.00 -2.51 -0.26 0.00 0.82 0.00 0.00 66.70 64.75 1o1o h VAL 33 Cb 0.92 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1o1o h VAL 33 CO 0.04 0.72 -1.25 0.58 0.02 0.00 0.00 177.57 177.67 1o1o h VAL 34 N -0.33 1.46 -2.46 2.57 2.07 -0.47 -3.36 116.25 115.72 1o1o h VAL 34 Ca -0.19 -3.11 -0.60 0.00 0.82 0.00 0.00 66.70 63.62 1o1o h VAL 34 Cb 1.70 2.84 -0.41 0.00 -1.52 0.00 0.00 31.29 33.90 1o1o h VAL 34 CO 0.13 0.88 -0.73 -1.22 0.02 0.00 0.00 177.57 176.65 1o1o n TYR 35 N -3.42 2.20 0.24 1.57 4.01 -0.61 -4.99 117.16 116.17 1o1o n TYR 35 Ca -0.08 -3.98 0.09 0.00 -0.16 0.00 0.00 57.90 53.76 1o1o n TYR 35 Cb 1.00 -0.43 0.40 0.00 -0.31 0.00 0.00 39.34 40.01 1o1o n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1o1o n PRO 36 N 1.57 0.11 0.22 -0.72 -0.04 -1.23 -1.10 135.00 133.81 1o1o n PRO 36 Ca 0.25 0.50 0.16 0.00 -0.04 0.00 0.00 63.50 64.37 1o1o n PRO 36 Cb 0.42 -1.78 0.69 0.00 -0.04 0.00 0.00 33.50 32.80 1o1o n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1o1o h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.42 115.95 113.25 1o1o h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1o h TRP 37 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 1o1o h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1o n THR 38 N -2.70 0.71 0.31 0.12 -2.24 -0.26 -2.24 114.28 107.99 1o1o n THR 38 Ca 0.00 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1o1o n THR 38 Cb 0.21 -0.87 0.51 0.00 -2.10 0.00 0.00 70.33 68.08 1o1o n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1o n GLN 39 N -1.55 0.17 0.12 -0.78 6.02 -0.53 -3.69 117.38 117.13 1o1o n GLN 39 Ca 0.04 0.49 0.19 0.00 -0.01 0.00 0.00 57.00 57.72 1o1o n GLN 39 Cb 0.22 -1.88 0.77 0.00 1.02 0.00 0.00 30.24 30.37 1o1o n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1o h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.66 -0.80 114.38 110.94 1o1o h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1o h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1o1o h ARG 40 CO 0.00 0.00 -0.53 1.19 0.10 0.00 0.00 179.97 180.73 1o1o n PHE 41 N -3.86 0.14 -1.25 4.08 3.72 -1.24 -4.43 117.46 114.61 1o1o n PHE 41 Ca 0.06 0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1o1o n PHE 41 Cb 0.51 -0.36 0.19 0.00 -0.94 0.00 0.00 39.48 38.88 1o1o n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1o n PHE 42 N -1.66 0.44 0.01 1.38 3.72 -0.31 -4.70 117.46 116.34 1o1o n PHE 42 Ca 0.05 -1.21 0.13 0.00 -0.05 0.00 0.00 57.45 56.37 1o1o n PHE 42 Cb 0.36 -0.28 0.58 0.00 -0.94 0.00 0.00 39.48 39.20 1o1o n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1o h GLU 43 N 0.83 0.21 0.00 -1.08 4.39 -1.77 0.67 114.58 117.83 1o1o h GLU 43 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1o1o h GLU 43 Cb 1.24 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1o1o h GLU 43 CO 0.13 0.14 0.00 -1.13 -1.16 0.00 0.00 179.01 176.99 1o1o n SER 44 N -4.45 0.00 -0.03 1.42 3.41 -1.26 -2.63 113.62 110.07 1o1o n SER 44 Ca 0.07 -0.22 0.14 0.00 -0.26 0.00 0.00 58.87 58.59 1o1o n SER 44 Cb 0.38 -0.13 0.53 0.00 -0.26 0.00 0.00 64.21 64.73 1o1o n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1o n PHE 45 N -1.13 0.00 -0.23 7.33 3.01 0.23 -5.03 117.46 121.64 1o1o n PHE 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1o1o n PHE 45 Cb 0.08 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1o1o n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1o n GLY 46 N 1.43 0.87 3.59 1.37 0.00 -1.08 -4.78 105.19 106.59 1o1o n GLY 46 Ca 0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1o1o n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1o s ASP 47 N -4.00 6.19 -0.18 1.61 2.15 -1.26 -4.85 116.67 116.32 1o1o s ASP 47 Ca 0.00 0.58 0.14 0.00 0.43 0.00 0.00 52.55 53.70 1o1o s ASP 47 Cb 0.00 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.46 1o1o s ASP 47 CO 0.00 -1.60 1.21 0.18 -0.17 0.00 0.00 175.17 174.79 1o1o n LEU 48 N 9.36 2.67 0.16 -1.34 4.77 -1.26 -4.25 117.00 127.11 1o1o n LEU 48 Ca 0.15 -3.58 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1o1o n LEU 48 Cb 0.49 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 1o1o n LEU 48 CO 0.71 1.13 0.62 0.77 -1.33 0.00 0.00 177.39 179.28 1o1o h SER 49 N 0.65 0.02 -5.21 -1.43 4.64 -1.92 -3.44 113.55 106.86 1o1o h SER 49 Ca 0.01 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1o1o h SER 49 Cb 1.04 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 62.98 1o1o h SER 49 CO 0.02 0.50 -0.65 0.42 -0.87 0.00 0.00 176.83 176.26 1o1o s THR 50 N -3.95 0.23 0.15 2.95 -4.23 -1.26 -5.04 115.64 104.49 1o1o s THR 50 Ca -0.02 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 1o1o s THR 50 Cb 0.14 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1o1o s THR 50 CO 0.75 -0.42 1.73 -0.65 -0.54 0.00 0.00 174.62 175.49 1o1o h PRO 51 N 2.79 0.15 -0.59 3.99 0.11 -1.98 -0.30 132.00 136.17 1o1o h PRO 51 Ca -0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1o1o h PRO 51 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1o1o h PRO 51 CO 0.59 0.10 0.30 -0.44 -0.21 0.00 0.00 178.00 178.34 1o1o h ASP 52 N 0.15 0.73 -0.49 -2.05 3.32 -1.98 0.11 116.42 116.21 1o1o h ASP 52 Ca 0.14 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1o1o h ASP 52 Cb 0.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1o1o h ASP 52 CO -0.19 0.61 0.13 0.00 -1.72 0.00 0.00 179.24 178.07 1o1o h ALA 53 N 1.50 0.64 0.35 3.45 0.00 -1.76 -0.63 119.26 122.82 1o1o h ALA 53 Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1o1o h ALA 53 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1o1o h ALA 53 CO -0.03 0.33 -0.18 0.28 0.00 0.00 0.00 179.25 179.65 1o1o h VAL 54 N 0.67 0.64 0.00 0.00 2.07 -0.41 -1.84 116.25 117.37 1o1o h VAL 54 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1o1o h VAL 54 Cb 0.31 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1o1o h VAL 54 CO -0.00 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.65 1o1o h MET 55 N -0.48 0.00 -0.71 1.57 2.07 -0.63 -1.71 114.93 115.04 1o1o h MET 55 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1o1o h MET 55 Cb 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1o1o h MET 55 CO 0.07 0.18 0.00 0.41 1.07 0.00 0.00 176.91 178.64 1o1o n GLY 56 N -0.51 2.58 3.66 8.32 0.00 -0.26 -4.90 105.19 114.07 1o1o n GLY 56 Ca -0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1o1o n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1o s ASN 57 N -0.98 7.08 0.49 1.61 3.84 -0.65 -4.91 114.94 121.42 1o1o s ASN 57 Ca 0.49 1.43 0.26 0.00 0.21 0.00 0.00 52.86 55.26 1o1o s ASN 57 Cb 0.27 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.68 1o1o s ASN 57 CO 0.31 -0.68 1.97 1.55 -2.79 0.00 0.00 177.10 177.46 1o1o h PRO 58 N 7.56 0.00 0.00 0.43 0.13 -1.90 -1.45 132.00 136.77 1o1o h PRO 58 Ca -0.20 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.76 1o1o h PRO 58 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1o1o h PRO 58 CO 0.98 0.16 -0.81 0.87 -0.23 0.00 0.00 178.00 178.97 1o1o h LYS 59 N 0.00 0.00 -0.22 0.86 1.57 -1.91 -0.72 116.57 116.15 1o1o h LYS 59 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1o1o h LYS 59 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1o1o h LYS 59 CO 0.02 0.81 -0.03 0.28 -0.57 0.00 0.00 179.45 179.96 1o1o h VAL 60 N 0.00 1.27 -0.76 0.50 2.07 -1.69 -1.62 116.25 116.02 1o1o h VAL 60 Ca -0.01 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1o1o h VAL 60 Cb 1.51 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1o1o h VAL 60 CO 0.11 0.30 0.35 0.11 0.02 0.00 0.00 177.57 178.46 1o1o h LYS 61 N 0.16 1.11 -0.60 1.57 1.57 -1.22 -0.54 116.57 118.62 1o1o h LYS 61 Ca 0.06 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1o1o h LYS 61 Cb 0.46 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1o1o h LYS 61 CO 0.02 0.87 0.28 0.00 -0.57 0.00 0.00 179.45 180.05 1o1o h ALA 62 N 1.18 0.78 -0.30 3.86 0.00 -1.07 -0.36 119.26 123.35 1o1o h ALA 62 Ca 0.26 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1o1o h ALA 62 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1o1o h ALA 62 CO -0.03 0.35 -0.45 1.25 0.00 0.00 0.00 179.25 180.37 1o1o h HIS 63 N 0.83 0.93 -0.69 0.00 -0.00 -1.06 -2.27 115.15 112.88 1o1o h HIS 63 Ca 0.21 -0.29 -0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1o1o h HIS 63 Cb 0.13 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1o1o h HIS 63 CO 0.00 1.07 0.42 0.78 -0.00 0.00 0.00 177.93 180.19 1o1o h GLY 64 N 0.89 1.00 1.21 5.26 0.00 -0.81 -0.03 103.07 110.59 1o1o h GLY 64 Ca 0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1o1o h GLY 64 CO 0.10 0.40 0.20 1.70 0.00 0.00 0.00 176.54 178.93 1o1o h LYS 65 N 0.93 0.99 -0.23 4.80 3.64 -0.95 -1.77 116.57 123.99 1o1o h LYS 65 Ca 0.25 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1o1o h LYS 65 Cb -0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1o1o h LYS 65 CO -0.05 0.86 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.67 1o1o h LYS 66 N 0.96 0.48 -0.05 1.90 3.64 -0.74 -1.30 116.57 121.46 1o1o h LYS 66 Ca 0.21 -0.20 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1o1o h LYS 66 Cb 0.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1o1o h LYS 66 CO -0.01 0.74 -0.87 1.37 -2.27 0.00 0.00 179.45 178.41 1o1o h LEU 67 N 0.19 0.64 -1.28 5.20 8.10 -1.00 -2.75 115.31 124.41 1o1o h LEU 67 Ca 0.05 -0.47 -0.05 0.00 0.11 0.00 0.00 57.88 57.52 1o1o h LEU 67 Cb 0.60 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1o1o h LEU 67 CO 0.03 1.25 -0.24 0.25 -4.11 0.00 0.00 178.44 175.63 1o1o h LEU 68 N 0.31 0.00 -0.51 0.17 5.85 -1.32 -0.86 115.31 118.96 1o1o h LEU 68 Ca -0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1o1o h LEU 68 Cb 1.49 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1o1o h LEU 68 CO 0.16 0.24 0.13 1.23 -0.34 0.00 0.00 178.44 179.85 1o1o h GLY 69 N 1.74 0.87 1.23 3.75 0.00 -1.08 0.31 103.07 109.89 1o1o h GLY 69 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1o1o h GLY 69 CO 0.03 0.50 0.08 0.00 0.00 0.00 0.00 176.54 177.15 1o1o h ALA 70 N 1.00 1.04 0.08 3.60 0.00 -1.14 -1.36 119.26 122.48 1o1o h ALA 70 Ca 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1o1o h ALA 70 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1o1o h ALA 70 CO 0.00 0.61 -0.05 0.35 0.00 0.00 0.00 179.25 180.16 1o1o h PHE 71 N 0.89 -0.12 -0.72 0.00 3.57 -0.77 -1.49 116.94 118.30 1o1o h PHE 71 Ca 0.18 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1o1o h PHE 71 Cb 0.41 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 1o1o h PHE 71 CO 0.03 -0.08 0.35 1.03 -2.23 0.00 0.00 178.31 177.41 1o1o h SER 72 N -0.13 0.43 -0.03 0.41 0.87 -0.12 0.47 113.55 115.46 1o1o h SER 72 Ca -0.01 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1o1o h SER 72 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1o1o h SER 72 CO 0.01 0.24 -0.09 0.44 -0.53 0.00 0.00 176.83 176.89 1o1o h ASP 73 N 0.58 0.26 -0.38 6.23 3.32 -1.06 -2.48 116.42 122.89 1o1o h ASP 73 Ca 0.36 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1o1o h ASP 73 Cb 0.42 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1o1o h ASP 73 CO -0.29 0.39 0.25 1.23 -1.72 0.00 0.00 179.24 179.09 1o1o h GLY 74 N 0.72 0.53 2.00 2.75 0.00 0.10 -2.45 103.07 106.71 1o1o h GLY 74 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1o1o h GLY 74 CO 0.02 0.19 0.00 1.41 0.00 0.00 0.00 176.54 178.16 1o1o h LEU 75 N 0.51 0.00 0.00 3.11 3.38 -0.95 -0.43 115.31 120.94 1o1o h LEU 75 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1o1o h LEU 75 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1o1o h LEU 75 CO -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.17 1o1o n ALA 76 N -1.90 3.13 -2.50 1.53 0.00 -0.92 -4.03 120.51 115.82 1o1o n ALA 76 Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1o1o n ALA 76 Cb 0.16 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.38 1o1o n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1o n HIS 77 N -1.50 2.40 0.30 0.00 8.25 -0.17 -4.88 115.22 119.61 1o1o n HIS 77 Ca 0.06 -2.77 0.18 0.00 -0.26 0.00 0.00 57.72 54.93 1o1o n HIS 77 Cb 0.34 -0.23 0.87 0.00 1.12 0.00 0.00 29.99 32.09 1o1o n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1o h LEU 78 N 2.64 0.00 -0.37 2.41 3.38 -1.69 -0.75 115.31 120.93 1o1o h LEU 78 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1o1o h LEU 78 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1o1o h LEU 78 CO 0.66 0.00 -0.17 0.47 0.09 0.00 0.00 178.44 179.49 1o1o n ASP 79 N -2.85 0.75 -2.68 -0.43 8.00 -1.26 -4.27 116.55 113.80 1o1o n ASP 79 Ca -0.01 -0.75 -0.08 0.00 0.71 0.00 0.00 54.79 54.67 1o1o n ASP 79 Cb 0.16 0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.35 1o1o n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1o n ASN 80 N -0.78 0.14 -0.29 -2.24 5.15 -0.30 -4.94 115.26 112.00 1o1o n ASN 80 Ca 0.14 -2.57 -0.04 0.00 -0.60 0.00 0.00 54.58 51.51 1o1o n ASN 80 Cb 0.31 0.07 0.08 0.00 -0.53 0.00 0.00 39.78 39.71 1o1o n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1o h LEU 81 N 2.56 0.90 -0.53 1.20 3.38 -1.71 -1.45 115.31 119.65 1o1o h LEU 81 Ca -0.18 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1o1o h LEU 81 Cb 1.23 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1o1o h LEU 81 CO 0.26 0.64 0.14 0.11 0.09 0.00 0.00 178.44 179.67 1o1o h LYS 82 N 1.06 0.28 0.02 1.13 1.57 -1.90 -0.69 116.57 118.03 1o1o h LYS 82 Ca 0.30 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.82 1o1o h LYS 82 Cb -0.09 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.16 1o1o h LYS 82 CO -0.08 0.18 -1.00 0.78 -0.57 0.00 0.00 179.45 178.76 1o1o h GLY 83 N 0.28 0.49 1.34 3.86 0.00 -1.88 -2.28 103.07 104.89 1o1o h GLY 83 Ca 0.27 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1o1o h GLY 83 CO -0.32 0.80 0.31 -0.84 0.00 0.00 0.00 176.54 176.49 1o1o h THR 84 N 0.23 1.20 -0.44 4.70 2.02 -0.79 -3.13 112.91 116.70 1o1o h THR 84 Ca -0.10 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1o1o h THR 84 Cb 1.65 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1o1o h THR 84 CO 0.18 0.22 0.00 0.49 0.37 0.00 0.00 175.52 176.78 1o1o n PHE 85 N -4.37 0.58 -0.20 3.16 3.72 -0.31 -4.64 117.46 115.42 1o1o n PHE 85 Ca 0.06 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1o1o n PHE 85 Cb 0.12 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.75 1o1o n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1o h ALA 86 N 3.06 0.72 0.01 4.37 0.00 -1.35 0.95 119.26 127.03 1o1o h ALA 86 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1o1o h ALA 86 Cb 0.82 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1o1o h ALA 86 CO 0.00 -0.27 -0.91 1.79 0.00 0.00 0.00 179.25 179.86 1o1o h THR 87 N 0.31 1.56 -0.25 0.00 1.35 -1.83 -2.31 112.91 111.73 1o1o h THR 87 Ca 0.31 -2.84 -0.09 0.00 -0.55 0.00 0.00 66.41 63.24 1o1o h THR 87 Cb 0.43 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 1o1o h THR 87 CO -0.36 0.82 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.43 1o1o h LEU 88 N 0.06 0.47 0.01 3.87 3.38 -1.76 -1.47 115.31 119.86 1o1o h LEU 88 Ca -0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1o1o h LEU 88 Cb 1.58 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1o1o h LEU 88 CO 0.13 0.69 -0.00 -1.28 0.09 0.00 0.00 178.44 178.07 1o1o h SER 89 N 0.42 -0.01 -0.71 -0.43 0.87 -0.47 -0.02 113.55 113.19 1o1o h SER 89 Ca 0.07 -0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1o1o h SER 89 Cb 0.62 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 1o1o h SER 89 CO 0.04 0.09 0.36 -0.33 -0.53 0.00 0.00 176.83 176.46 1o1o h GLU 90 N -0.11 0.61 -0.73 2.24 5.08 -1.29 -1.67 114.58 118.72 1o1o h GLU 90 Ca -0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1o1o h GLU 90 Cb 0.10 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1o1o h GLU 90 CO 0.00 0.41 0.25 1.25 -1.00 0.00 0.00 179.01 179.92 1o1o h LEU 91 N 0.63 1.04 -0.71 1.33 5.85 -0.91 0.79 115.31 123.33 1o1o h LEU 91 Ca 0.34 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1o1o h LEU 91 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1o1o h LEU 91 CO -0.25 0.96 -0.63 0.45 -0.34 0.00 0.00 178.44 178.63 1o1o h HIS 92 N 1.07 0.00 0.14 1.25 3.86 -0.44 -1.64 115.15 119.39 1o1o h HIS 92 Ca 0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1o1o h HIS 92 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1o1o h HIS 92 CO 0.02 0.63 -0.07 0.00 0.86 0.00 0.00 177.93 179.37 1o1o h ASP 94 N -1.03 0.27 0.00 0.00 3.32 -0.93 -3.18 116.42 114.88 1o1o h ASP 94 Ca -0.02 -0.26 -0.20 0.00 0.02 0.00 0.00 57.03 56.57 1o1o h ASP 94 Cb 0.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1o1o h ASP 94 CO 0.03 1.14 -1.75 0.29 -1.72 0.00 0.00 179.24 177.24 1o1o n LYS 95 N -3.54 0.32 0.08 3.56 4.76 -0.92 -4.73 118.16 117.68 1o1o n LYS 95 Ca -0.05 0.09 0.05 0.00 -2.87 0.00 0.00 58.31 55.53 1o1o n LYS 95 Cb 0.92 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 1o1o n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1o1o h LEU 96 N -0.10 0.00 -1.22 -0.35 3.38 -1.37 -3.49 115.31 112.16 1o1o h LEU 96 Ca -0.30 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.32 1o1o h LEU 96 Cb 1.42 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.32 1o1o h LEU 96 CO -0.08 0.32 -0.68 1.41 0.09 0.00 0.00 178.44 179.49 1o1o n HIS 97 N -2.85 -2.44 -3.31 1.13 8.25 0.10 -4.96 115.22 111.14 1o1o n HIS 97 Ca -0.04 0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 57.93 1o1o n HIS 97 Cb 0.70 -4.88 -0.09 0.00 1.12 0.00 0.00 29.99 26.85 1o1o n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1o s VAL 98 N -3.32 5.08 -0.10 1.59 1.01 -0.52 -5.03 120.40 119.11 1o1o s VAL 98 Ca 0.31 -0.10 -0.37 0.00 0.00 0.00 0.00 61.98 61.82 1o1o s VAL 98 Cb -0.14 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1o1o s VAL 98 CO 0.69 -0.32 1.70 -0.67 0.00 0.00 0.00 175.10 176.50 1o1o n ASP 99 N 5.62 2.71 0.05 3.32 -0.08 -1.26 -4.77 116.55 122.13 1o1o n ASP 99 Ca -0.07 1.05 0.04 0.00 -1.51 0.00 0.00 54.79 54.31 1o1o n ASP 99 Cb 0.48 -1.26 0.22 0.00 2.34 0.00 0.00 41.12 42.90 1o1o n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1o1o n PRO 100 N 5.06 0.04 0.18 -0.67 -0.02 -1.26 -1.55 135.00 136.79 1o1o n PRO 100 Ca 0.23 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1o1o n PRO 100 Cb 0.21 -1.63 0.61 0.00 -0.02 0.00 0.00 33.50 32.68 1o1o n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1o1o h GLU 101 N 0.00 0.09 -0.36 -0.52 4.57 -1.99 -1.30 114.58 115.07 1o1o h GLU 101 Ca 0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1o1o h GLU 101 Cb 0.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1o1o h GLU 101 CO 0.00 0.06 0.24 -0.91 -1.18 0.00 0.00 179.01 177.22 1o1o h ASN 102 N 0.09 0.40 -0.01 1.04 2.35 -1.65 -0.93 115.58 116.88 1o1o h ASN 102 Ca 0.06 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1o1o h ASN 102 Cb 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1o1o h ASN 102 CO -0.01 0.29 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.49 1o1o h PHE 103 N 0.47 0.53 -0.29 1.19 0.04 -1.42 -0.54 116.94 116.92 1o1o h PHE 103 Ca 0.14 -0.12 -0.18 0.00 2.80 0.00 0.00 57.97 60.60 1o1o h PHE 103 Cb -0.03 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1o1o h PHE 103 CO -0.00 0.72 -0.52 0.00 -0.60 0.00 0.00 178.31 177.91 1o1o h ARG 104 N 0.40 0.85 -0.28 1.51 3.08 -1.19 -1.59 114.38 117.15 1o1o h ARG 104 Ca 0.05 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 1o1o h ARG 104 Cb 0.74 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1o1o h ARG 104 CO 0.06 1.16 0.17 -0.07 -1.07 0.00 0.00 179.97 180.22 1o1o h LEU 105 N 0.66 0.34 -0.98 3.04 3.38 -1.11 -2.36 115.31 118.28 1o1o h LEU 105 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1o1o h LEU 105 Cb 1.12 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1o1o h LEU 105 CO 0.12 0.29 0.61 0.25 0.09 0.00 0.00 178.44 179.80 1o1o h LEU 106 N 0.36 1.15 -0.46 1.67 5.85 -1.03 -1.41 115.31 121.44 1o1o h LEU 106 Ca 0.10 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1o1o h LEU 106 Cb 0.01 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1o1o h LEU 106 CO -0.02 0.86 0.17 1.23 -0.34 0.00 0.00 178.44 180.34 1o1o h GLY 107 N 1.33 0.61 1.54 3.75 0.00 -1.02 0.17 103.07 109.45 1o1o h GLY 107 Ca 0.35 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 1o1o h GLY 107 CO -0.07 0.03 -0.47 3.43 0.00 0.00 0.00 176.54 179.46 1o1o h ASN 108 N 0.35 0.54 -0.18 0.19 2.35 -1.05 -1.87 115.58 115.91 1o1o h ASN 108 Ca 0.22 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1o1o h ASN 108 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1o1o h ASN 108 CO -0.21 0.93 -0.29 0.58 -1.65 0.00 0.00 177.43 176.79 1o1o h VAL 109 N 0.40 1.28 -0.44 2.81 2.07 -0.74 -2.33 116.25 119.30 1o1o h VAL 109 Ca 0.02 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1o1o h VAL 109 Cb 0.97 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1o1o h VAL 109 CO 0.09 0.45 0.20 0.25 0.02 0.00 0.00 177.57 178.58 1o1o h LEU 110 N 0.57 0.58 -0.77 2.57 5.85 -0.43 0.14 115.31 123.82 1o1o h LEU 110 Ca 0.07 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1o1o h LEU 110 Cb 0.78 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1o1o h LEU 110 CO 0.06 0.56 0.48 0.58 -0.34 0.00 0.00 178.44 179.79 1o1o h VAL 111 N 0.56 1.09 -0.78 1.05 2.07 -1.20 0.07 116.25 119.11 1o1o h VAL 111 Ca 0.15 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1o1o h VAL 111 Cb 0.15 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1o1o h VAL 111 CO -0.02 0.17 0.34 0.00 0.02 0.00 0.00 177.57 178.09 1o1o h VAL 113 N 1.12 1.23 -0.83 0.00 2.07 -0.30 -0.19 116.25 119.33 1o1o h VAL 113 Ca 0.26 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1o1o h VAL 113 Cb 0.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1o1o h VAL 113 CO -0.03 0.27 0.55 -0.07 0.02 0.00 0.00 177.57 178.31 1o1o h LEU 114 N 0.62 0.94 -0.76 2.57 3.38 -0.77 0.12 115.31 121.42 1o1o h LEU 114 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1o1o h LEU 114 Cb 0.27 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1o1o h LEU 114 CO -0.00 0.68 0.42 0.00 0.09 0.00 0.00 178.44 179.63 1o1o h ALA 115 N 1.31 0.97 -0.46 1.53 0.00 -0.90 0.16 119.26 121.87 1o1o h ALA 115 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1o1o h ALA 115 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1o1o h ALA 115 CO -0.07 0.47 0.12 1.25 0.00 0.00 0.00 179.25 181.02 1o1o h HIS 116 N 1.04 0.76 -0.58 0.00 -0.00 -0.48 0.94 115.15 116.84 1o1o h HIS 116 Ca 0.27 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1o1o h HIS 116 Cb 0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 1o1o h HIS 116 CO -0.00 0.70 0.10 1.25 -0.00 0.00 0.00 177.93 179.98 1o1o h HIS 117 N 0.61 1.01 -0.01 5.26 6.17 -0.51 -3.34 115.15 124.34 1o1o h HIS 117 Ca 0.14 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1o1o h HIS 117 Cb 0.32 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 29.97 1o1o h HIS 117 CO 0.02 0.88 -0.31 1.19 0.71 0.00 0.00 177.93 180.42 1o1o n PHE 118 N -4.33 0.00 0.00 5.26 3.72 0.55 -5.05 117.46 117.61 1o1o n PHE 118 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1o1o n PHE 118 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1o1o n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1o n GLY 119 N 1.05 3.11 0.28 1.37 0.00 0.31 -1.83 105.19 109.48 1o1o n GLY 119 Ca 0.05 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1o1o n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1o h LYS 120 N 0.00 0.00 0.00 1.61 5.09 -1.97 0.71 116.57 122.01 1o1o h LYS 120 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1o1o h LYS 120 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1o1o h LYS 120 CO 0.00 0.00 0.00 1.49 -2.09 0.00 0.00 179.45 178.85 1o1o h GLU 121 N 0.00 0.00 -3.44 0.07 4.81 -1.76 -3.30 114.58 110.97 1o1o h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1o1o h GLU 121 Cb 0.12 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.35 1o1o h GLU 121 CO 0.00 0.00 2.04 0.34 -0.73 0.00 0.00 179.01 180.66 1o1o n PHE 122 N -2.64 2.89 -1.16 0.92 7.35 0.24 -4.94 117.46 120.12 1o1o n PHE 122 Ca 0.02 -2.78 -0.30 0.00 -0.76 0.00 0.00 57.45 53.62 1o1o n PHE 122 Cb 0.29 -1.93 0.13 0.00 0.35 0.00 0.00 39.48 38.32 1o1o n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1o s THR 123 N 0.27 2.73 0.24 -2.13 -4.23 -1.24 -4.63 115.64 106.65 1o1o s THR 123 Ca 0.40 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1o1o s THR 123 Cb 0.10 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 71.46 1o1o s THR 123 CO 0.00 -0.31 1.77 -0.65 -0.54 0.00 0.00 174.62 174.89 1o1o h PRO 124 N -1.52 0.57 -0.24 3.99 0.11 -1.94 0.30 132.00 133.27 1o1o h PRO 124 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1o1o h PRO 124 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1o1o h PRO 124 CO 0.53 0.38 -0.20 -1.35 -0.21 0.00 0.00 178.00 177.14 1o1o h PRO 125 N 0.59 0.44 -0.32 1.05 0.11 -1.99 -0.39 132.00 131.49 1o1o h PRO 125 Ca 0.40 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 66.20 1o1o h PRO 125 Cb 0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1o1o h PRO 125 CO -0.32 0.63 -0.42 0.28 -0.21 0.00 0.00 178.00 177.96 1o1o h VAL 126 N 0.40 1.28 -0.61 3.15 2.07 -1.58 -2.16 116.25 118.80 1o1o h VAL 126 Ca 0.07 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1o1o h VAL 126 Cb 0.58 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1o1o h VAL 126 CO 0.04 0.52 0.38 -0.61 0.02 0.00 0.00 177.57 177.93 1o1o h GLN 127 N 0.65 0.75 -0.99 1.57 4.15 -0.14 -1.84 115.11 119.26 1o1o h GLN 127 Ca 0.05 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1o1o h GLN 127 Cb 0.99 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 1o1o h GLN 127 CO 0.09 0.49 0.65 0.00 -1.93 0.00 0.00 178.83 178.14 1o1o h ALA 128 N 1.25 1.34 -0.37 3.38 0.00 -0.80 0.12 119.26 124.18 1o1o h ALA 128 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1o1o h ALA 128 Cb -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1o1o h ALA 128 CO -0.08 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.81 1o1o h ALA 129 N 1.41 0.49 -0.05 0.00 0.00 -1.03 -2.43 119.26 117.66 1o1o h ALA 129 Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1o1o h ALA 129 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1o1o h ALA 129 CO -0.11 0.19 -0.40 1.88 0.00 0.00 0.00 179.25 180.82 1o1o h TYR 130 N 0.45 0.11 -0.66 0.00 0.05 -0.49 -2.17 116.97 114.26 1o1o h TYR 130 Ca 0.11 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1o1o h TYR 130 Cb 0.36 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.04 1o1o h TYR 130 CO 0.02 0.48 0.33 1.96 -1.05 0.00 0.00 178.16 179.91 1o1o h GLN 131 N 0.08 0.95 -0.41 4.88 1.08 -0.56 0.94 115.11 122.07 1o1o h GLN 131 Ca 0.01 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1o1o h GLN 131 Cb 0.74 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1o1o h GLN 131 CO 0.06 0.74 0.25 0.87 -0.95 0.00 0.00 178.83 179.80 1o1o h LYS 132 N 0.91 0.50 -0.41 1.46 1.57 -1.08 -1.98 116.57 117.54 1o1o h LYS 132 Ca 0.23 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1o1o h LYS 132 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1o1o h LYS 132 CO -0.03 0.33 0.15 0.28 -0.57 0.00 0.00 179.45 179.60 1o1o h VAL 133 N 0.51 1.21 -0.03 0.50 2.07 -0.99 0.91 116.25 120.43 1o1o h VAL 133 Ca 0.16 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1o1o h VAL 133 Cb -0.02 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1o1o h VAL 133 CO -0.06 0.24 -0.63 -0.37 0.02 0.00 0.00 177.57 176.77 1o1o h VAL 134 N 0.52 1.42 -0.51 2.57 -1.51 -0.72 0.12 116.25 118.15 1o1o h VAL 134 Ca 0.14 -2.10 -0.08 0.00 -1.23 0.00 0.00 66.70 63.43 1o1o h VAL 134 Cb 0.23 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1o1o h VAL 134 CO -0.01 0.61 -0.02 0.00 -1.23 0.00 0.00 177.57 176.93 1o1o h ALA 135 N 1.26 1.02 -0.25 5.19 0.00 -1.21 -0.98 119.26 124.30 1o1o h ALA 135 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1o1o h ALA 135 Cb 1.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1o1o h ALA 135 CO 0.09 0.60 0.17 0.78 0.00 0.00 0.00 179.25 180.89 1o1o h GLY 136 N 0.99 0.35 0.93 0.00 0.00 -0.37 0.16 103.07 105.12 1o1o h GLY 136 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1o1o h GLY 136 CO 0.02 0.13 -0.01 -2.08 0.00 0.00 0.00 176.54 174.60 1o1o h VAL 137 N 0.34 1.26 -0.85 4.60 2.07 -0.85 -1.06 116.25 121.76 1o1o h VAL 137 Ca 0.09 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1o1o h VAL 137 Cb -0.04 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1o1o h VAL 137 CO -0.02 0.34 0.45 0.00 0.02 0.00 0.00 177.57 178.35 1o1o h ALA 138 N 0.86 1.09 -0.74 1.67 0.00 -1.05 -0.09 119.26 121.00 1o1o h ALA 138 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1o1o h ALA 138 Cb 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1o1o h ALA 138 CO 0.02 0.61 0.33 -0.91 0.00 0.00 0.00 179.25 179.30 1o1o h ASN 139 N 1.19 0.98 0.07 0.00 2.35 -0.75 -1.27 115.58 118.15 1o1o h ASN 139 Ca 0.30 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1o1o h ASN 139 Cb 0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1o1o h ASN 139 CO -0.04 0.85 -0.65 0.00 -1.65 0.00 0.00 177.43 175.93 1o1o h ALA 140 N 1.30 0.59 0.00 -0.83 0.00 -0.50 -1.92 119.26 117.89 1o1o h ALA 140 Ca 0.25 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1o1o h ALA 140 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1o1o h ALA 140 CO -0.03 0.71 -0.09 -0.07 0.00 0.00 0.00 179.25 179.78 1o1o h LEU 141 N 0.40 0.00 -0.31 0.00 3.38 -0.86 -2.97 115.31 114.96 1o1o h LEU 141 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1o1o h LEU 141 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1o1o h LEU 141 CO 0.12 0.09 -0.56 0.00 0.09 0.00 0.00 178.44 178.18 1o1o n ALA 142 N -2.15 3.74 0.18 1.53 0.00 -0.49 -4.44 120.51 118.88 1o1o n ALA 142 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1o1o n ALA 142 Cb 0.35 -0.98 0.51 0.00 0.00 0.00 0.00 19.45 19.33 1o1o n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1o h HIS 143 N 0.75 0.12 -0.59 0.00 6.17 -1.19 -2.72 115.15 117.69 1o1o h HIS 143 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1o1o h HIS 143 Cb 0.55 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1o1o h HIS 143 CO 0.00 0.19 0.00 1.63 0.71 0.00 0.00 177.93 180.46 1o1o n LYS 144 N -4.40 2.64 -2.08 5.26 4.76 -1.26 -4.95 118.16 118.13 1o1o n LYS 144 Ca -0.02 -2.51 -0.39 0.00 -2.87 0.00 0.00 58.31 52.53 1o1o n LYS 144 Cb 0.18 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1o1o n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1o s TYR 145 N -1.22 2.77 0.00 2.13 1.51 -1.03 -4.75 117.35 116.76 1o1o s TYR 145 Ca 0.45 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1o1o s TYR 145 Cb 0.25 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1o1o s TYR 145 CO 0.33 -2.02 0.00 -2.39 -1.11 0.00 0.00 175.55 170.36