#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1k s HIS 2 N 0.00 3.03 0.02 3.17 2.46 -1.26 -4.55 115.29 118.16 1o1k s HIS 2 Ca 0.00 0.49 0.08 0.00 0.47 0.00 0.00 55.06 56.10 1o1k s HIS 2 Cb 0.00 -3.67 -0.03 0.00 -0.13 0.00 0.00 32.58 28.75 1o1k s HIS 2 CO 0.00 -0.91 -0.25 -0.51 -2.47 0.00 0.00 174.74 170.60 1o1k s LEU 3 N 3.41 2.19 0.87 8.88 1.43 -1.26 -5.13 118.68 129.07 1o1k s LEU 3 Ca 0.34 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1o1k s LEU 3 Cb -0.12 -1.33 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1o1k s LEU 3 CO 0.21 0.28 1.10 0.42 0.23 0.00 0.00 176.35 178.59 1o1k s THR 4 N -0.76 2.78 0.43 5.49 -4.23 -1.26 -4.77 115.64 113.32 1o1k s THR 4 Ca 0.11 0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1o1k s THR 4 Cb -0.10 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.38 1o1k s THR 4 CO 0.01 -0.33 2.05 -0.65 -0.54 0.00 0.00 174.62 175.16 1o1k h PRO 5 N -1.51 0.45 -0.29 3.99 0.11 -2.00 -1.07 132.00 131.69 1o1k h PRO 5 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1o1k h PRO 5 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1o1k h PRO 5 CO 0.51 0.30 0.06 0.93 -0.21 0.00 0.00 178.00 179.59 1o1k h GLU 6 N 0.47 0.47 -0.27 1.05 3.07 -2.00 -1.77 114.58 115.59 1o1k h GLU 6 Ca 0.16 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1o1k h GLU 6 Cb 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1o1k h GLU 6 CO -0.04 0.56 -0.31 0.93 -1.40 0.00 0.00 179.01 178.75 1o1k h GLU 7 N 0.30 0.57 0.63 2.33 5.08 -1.77 -2.24 114.58 119.48 1o1k h GLU 7 Ca 0.09 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1o1k h GLU 7 Cb 0.31 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1o1k h GLU 7 CO 0.00 0.81 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.23 1o1k h LYS 8 N 0.49 -0.92 -0.47 2.33 1.63 -1.05 -2.06 116.57 116.53 1o1k h LYS 8 Ca 0.06 0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1o1k h LYS 8 Cb 0.78 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 1o1k h LYS 8 CO 0.06 -0.61 0.16 1.03 -3.45 0.00 0.00 179.45 176.64 1o1k h SER 9 N -0.95 0.62 -0.36 4.20 0.87 -1.33 -2.11 113.55 114.48 1o1k h SER 9 Ca -0.08 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1o1k h SER 9 Cb 0.77 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1o1k h SER 9 CO 0.08 0.58 0.12 0.00 -0.53 0.00 0.00 176.83 177.09 1o1k h ALA 10 N 1.51 0.47 0.22 6.23 0.00 -1.25 -0.42 119.26 126.03 1o1k h ALA 10 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1o1k h ALA 10 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1o1k h ALA 10 CO -0.01 0.10 -0.11 0.28 0.00 0.00 0.00 179.25 179.51 1o1k h VAL 11 N 0.43 0.86 -0.58 0.00 2.07 -1.19 -2.75 116.25 115.08 1o1k h VAL 11 Ca 0.12 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1o1k h VAL 11 Cb 0.23 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1o1k h VAL 11 CO -0.01 0.12 0.23 0.74 0.02 0.00 0.00 177.57 178.68 1o1k h THR 12 N -0.58 0.81 -0.32 2.57 2.02 -1.38 -1.64 112.91 114.39 1o1k h THR 12 Ca -0.03 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1o1k h THR 12 Cb 0.43 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1o1k h THR 12 CO 0.05 0.08 0.17 0.00 0.37 0.00 0.00 175.52 176.19 1o1k h ALA 13 N 1.38 0.41 -0.48 6.16 0.00 -1.08 -2.92 119.26 122.73 1o1k h ALA 13 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 13 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1o1k h ALA 13 CO -0.27 -0.05 -0.18 1.25 0.00 0.00 0.00 179.25 179.99 1o1k h LEU 14 N 0.40 0.96 -2.31 0.00 5.85 -1.26 -3.06 115.31 115.88 1o1k h LEU 14 Ca 0.11 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1o1k h LEU 14 Cb 0.07 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1o1k h LEU 14 CO -0.02 1.12 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.93 1o1k h TRP 15 N 0.83 0.00 0.00 1.25 2.91 -1.16 -1.18 115.95 118.60 1o1k h TRP 15 Ca 0.12 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1o1k h TRP 15 Cb 0.74 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1o1k h TRP 15 CO 0.05 0.02 0.00 0.41 -1.03 0.00 0.00 178.44 177.89 1o1k n GLY 16 N -0.68 -1.27 0.49 2.65 0.00 -1.12 -2.12 105.19 103.15 1o1k n GLY 16 Ca -0.02 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1o1k n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1k n LYS 17 N -2.12 1.19 -2.79 1.61 5.02 -0.45 -4.96 118.16 115.66 1o1k n LYS 17 Ca 0.03 -0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.93 1o1k n LYS 17 Cb 0.24 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1o1k n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1k s VAL 18 N -2.48 4.91 -0.67 -0.18 1.01 -0.90 -5.00 120.40 117.09 1o1k s VAL 18 Ca 0.19 1.91 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 1o1k s VAL 18 Cb 0.18 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1o1k s VAL 18 CO 0.57 0.18 0.98 0.21 0.00 0.00 0.00 175.10 177.03 1o1k s ASN 19 N 0.96 6.19 0.21 3.32 3.84 -1.26 -4.92 114.94 123.28 1o1k s ASN 19 Ca 0.48 -1.01 -0.11 0.00 0.21 0.00 0.00 52.86 52.43 1o1k s ASN 19 Cb -0.20 -2.42 0.28 0.00 -0.55 0.00 0.00 41.25 38.35 1o1k s ASN 19 CO 0.25 -1.44 1.67 0.58 -2.79 0.00 0.00 177.10 175.37 1o1k h VAL 20 N 5.97 0.54 0.31 -5.21 2.07 -1.95 -1.40 116.25 116.58 1o1k h VAL 20 Ca -0.27 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1o1k h VAL 20 Cb 1.07 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1o1k h VAL 20 CO 1.18 0.02 -0.36 0.44 0.02 0.00 0.00 177.57 178.88 1o1k h ASP 21 N 0.14 -1.00 -0.06 0.57 3.32 -1.91 -1.43 116.42 116.04 1o1k h ASP 21 Ca 0.31 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.48 1o1k h ASP 21 Cb 0.49 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1o1k h ASP 21 CO -0.49 -0.46 -0.19 -0.08 -1.72 0.00 0.00 179.24 176.30 1o1k h GLU 22 N -0.68 -0.27 -0.78 3.56 4.81 -1.92 -2.36 114.58 116.94 1o1k h GLU 22 Ca -0.04 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1o1k h GLU 22 Cb 0.60 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1o1k h GLU 22 CO -0.07 -0.18 0.47 0.28 -0.73 0.00 0.00 179.01 178.78 1o1k h VAL 23 N -0.28 1.22 -0.59 0.32 2.07 -1.28 -0.62 116.25 117.09 1o1k h VAL 23 Ca 0.08 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1o1k h VAL 23 Cb 0.39 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1o1k h VAL 23 CO -0.22 0.22 0.38 1.23 0.02 0.00 0.00 177.57 179.20 1o1k h GLY 24 N 1.06 0.83 1.40 2.17 0.00 -1.06 -0.19 103.07 107.29 1o1k h GLY 24 Ca 0.28 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1o1k h GLY 24 CO -0.05 0.32 -0.53 -1.33 0.00 0.00 0.00 176.54 174.94 1o1k h GLY 25 N 0.79 0.69 0.91 4.60 0.00 -1.15 -2.17 103.07 106.74 1o1k h GLY 25 Ca 0.21 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1o1k h GLY 25 CO -0.04 0.71 0.04 -2.09 0.00 0.00 0.00 176.54 175.15 1o1k h GLU 26 N 0.49 0.10 -0.30 4.80 4.57 -0.80 -0.34 114.58 123.10 1o1k h GLU 26 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1o1k h GLU 26 Cb 1.08 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1o1k h GLU 26 CO 0.10 0.17 0.09 0.00 -1.18 0.00 0.00 179.01 178.20 1o1k h ALA 27 N 0.93 0.40 -0.69 2.92 0.00 -1.03 -1.09 119.26 120.70 1o1k h ALA 27 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1o1k h ALA 27 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1o1k h ALA 27 CO -0.00 0.04 0.26 1.25 0.00 0.00 0.00 179.25 180.80 1o1k h LEU 28 N 0.33 0.96 -0.22 0.00 5.85 -1.36 -1.49 115.31 119.38 1o1k h LEU 28 Ca 0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1o1k h LEU 28 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1o1k h LEU 28 CO -0.00 0.88 0.11 1.23 -0.34 0.00 0.00 178.44 180.31 1o1k h GLY 29 N 0.98 0.34 1.92 3.75 0.00 -0.88 -2.28 103.07 106.90 1o1k h GLY 29 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1o1k h GLY 29 CO -0.02 0.16 -0.17 3.21 0.00 0.00 0.00 176.54 179.72 1o1k h ARG 30 N 0.23 0.10 0.20 4.80 3.08 -1.03 -1.67 114.38 120.09 1o1k h ARG 30 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1o1k h ARG 30 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1o1k h ARG 30 CO -0.01 0.27 -0.10 1.25 -1.07 0.00 0.00 179.97 180.31 1o1k h LEU 31 N 0.09 -0.23 -1.93 3.04 5.85 -0.84 0.88 115.31 122.18 1o1k h LEU 31 Ca 0.02 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1o1k h LEU 31 Cb 0.36 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1o1k h LEU 31 CO 0.02 -0.11 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.86 1o1k h LEU 32 N -0.32 0.00 0.08 2.25 3.38 -1.02 -0.75 115.31 118.93 1o1k h LEU 32 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1o1k h LEU 32 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1o1k h LEU 32 CO 0.04 0.08 -1.10 0.58 0.09 0.00 0.00 178.44 178.14 1o1k h VAL 33 N 0.00 1.18 0.01 1.22 2.07 -0.98 -3.27 116.25 116.47 1o1k h VAL 33 Ca -0.00 -2.36 -0.21 0.00 0.82 0.00 0.00 66.70 64.95 1o1k h VAL 33 Cb 0.16 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1o1k h VAL 33 CO 0.01 0.61 -0.91 0.58 0.02 0.00 0.00 177.57 177.89 1o1k h VAL 34 N -0.56 1.47 -2.64 2.57 2.07 -0.79 -3.36 116.25 115.01 1o1k h VAL 34 Ca -0.25 -2.60 -0.61 0.00 0.82 0.00 0.00 66.70 64.06 1o1k h VAL 34 Cb 1.54 2.48 -0.41 0.00 -1.52 0.00 0.00 31.29 33.37 1o1k h VAL 34 CO 0.00 0.76 -0.68 -1.22 0.02 0.00 0.00 177.57 176.46 1o1k n TYR 35 N -3.67 2.45 -0.34 1.57 4.01 -0.29 -4.99 117.16 115.90 1o1k n TYR 35 Ca -0.04 -4.06 0.29 0.00 -0.16 0.00 0.00 57.90 53.92 1o1k n TYR 35 Cb 0.82 -0.45 0.61 0.00 -0.31 0.00 0.00 39.34 40.01 1o1k n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1o1k h PRO 36 N 4.97 0.22 0.00 -0.72 0.11 -1.72 -1.71 132.00 133.14 1o1k h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1o1k h PRO 36 Cb 0.76 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1o1k h PRO 36 CO 0.68 0.15 0.00 0.11 -0.21 0.00 0.00 178.00 178.72 1o1k h TRP 37 N 0.23 0.00 0.00 0.65 0.09 -1.92 -0.51 115.95 114.49 1o1k h TRP 37 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.60 1o1k h TRP 37 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.15 1o1k h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1k n THR 38 N -2.31 0.60 0.37 0.12 -2.24 -0.64 -2.76 114.28 107.41 1o1k n THR 38 Ca -0.00 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1o1k n THR 38 Cb 0.12 -0.81 0.42 0.00 -2.10 0.00 0.00 70.33 67.96 1o1k n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1k n GLN 39 N -1.64 0.12 0.31 -0.78 6.02 -0.20 -3.16 117.38 118.06 1o1k n GLN 39 Ca 0.05 0.41 0.19 0.00 -0.01 0.00 0.00 57.00 57.64 1o1k n GLN 39 Cb 0.26 -1.76 1.03 0.00 1.02 0.00 0.00 30.24 30.78 1o1k n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1k h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.74 -0.57 114.38 111.07 1o1k h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1k h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1o1k h ARG 40 CO 0.00 0.00 -0.07 1.19 0.10 0.00 0.00 179.97 181.19 1o1k n PHE 41 N -3.25 0.00 -2.21 4.08 3.72 -1.19 -4.42 117.46 114.19 1o1k n PHE 41 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1o1k n PHE 41 Cb 0.19 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 1o1k n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1k n PHE 42 N 0.62 1.07 0.21 1.38 3.72 -0.22 -4.82 117.46 119.42 1o1k n PHE 42 Ca 0.15 -1.63 0.11 0.00 -0.05 0.00 0.00 57.45 56.03 1o1k n PHE 42 Cb 0.48 -0.25 0.67 0.00 -0.94 0.00 0.00 39.48 39.44 1o1k n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1k h GLU 43 N 1.71 0.00 0.00 -1.08 4.39 -1.77 -1.69 114.58 116.15 1o1k h GLU 43 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1o1k h GLU 43 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1o1k h GLU 43 CO 0.28 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.00 1o1k n SER 44 N -4.46 0.00 0.00 1.42 3.41 -1.26 -3.47 113.62 109.26 1o1k n SER 44 Ca -0.00 -0.79 0.13 0.00 -0.26 0.00 0.00 58.87 57.95 1o1k n SER 44 Cb 0.20 -0.07 0.51 0.00 -0.26 0.00 0.00 64.21 64.59 1o1k n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1k n PHE 45 N -1.07 0.01 -0.11 7.33 3.01 -0.63 -5.04 117.46 120.97 1o1k n PHE 45 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1o1k n PHE 45 Cb 0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 1o1k n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1k n GLY 46 N 1.50 0.98 3.64 1.37 0.00 -1.23 -4.76 105.19 106.69 1o1k n GLY 46 Ca 0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1o1k n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1k s ASP 47 N -4.00 6.88 -0.05 1.61 2.15 -1.26 -4.85 116.67 117.15 1o1k s ASP 47 Ca 0.00 1.15 0.07 0.00 0.43 0.00 0.00 52.55 54.20 1o1k s ASP 47 Cb 0.00 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 1o1k s ASP 47 CO 0.00 -0.91 1.06 0.18 -0.17 0.00 0.00 175.17 175.32 1o1k n LEU 48 N 7.01 0.83 -0.20 -1.34 4.77 -1.26 -4.40 117.00 122.41 1o1k n LEU 48 Ca 0.13 -1.74 -0.03 0.00 -0.03 0.00 0.00 56.01 54.33 1o1k n LEU 48 Cb 0.47 -0.15 0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1o1k n LEU 48 CO 0.60 0.42 1.04 0.77 -1.33 0.00 0.00 177.39 178.89 1o1k h SER 49 N 0.03 0.90 -2.72 -1.43 4.64 -1.92 -3.44 113.55 109.62 1o1k h SER 49 Ca -0.00 -0.13 -0.52 0.00 -0.47 0.00 0.00 61.79 60.66 1o1k h SER 49 Cb 1.27 -0.23 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 1o1k h SER 49 CO 0.00 0.82 -0.72 0.42 -0.87 0.00 0.00 176.83 176.49 1o1k s THR 50 N -5.42 1.95 0.18 2.95 -4.23 -1.26 -5.02 115.64 104.80 1o1k s THR 50 Ca -0.11 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.04 1o1k s THR 50 Cb 0.16 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.78 1o1k s THR 50 CO 0.81 -0.41 1.78 -0.65 -0.54 0.00 0.00 174.62 175.61 1o1k h PRO 51 N 2.33 0.47 -0.56 3.99 0.11 -1.99 0.30 132.00 136.65 1o1k h PRO 51 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1o1k h PRO 51 Cb 1.24 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1o1k h PRO 51 CO 0.64 0.31 0.37 -0.44 -0.21 0.00 0.00 178.00 178.67 1o1k h ASP 52 N 0.48 0.65 -0.86 -2.05 3.32 -1.98 0.21 116.42 116.20 1o1k h ASP 52 Ca 0.24 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1o1k h ASP 52 Cb 0.18 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1o1k h ASP 52 CO -0.18 0.48 0.43 0.00 -1.72 0.00 0.00 179.24 178.25 1o1k h ALA 53 N 1.20 1.10 -0.09 3.45 0.00 -1.60 -1.31 119.26 122.01 1o1k h ALA 53 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1o1k h ALA 53 Cb -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1o1k h ALA 53 CO -0.04 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 179.99 1o1k h VAL 54 N 1.21 1.39 0.00 0.00 2.07 0.22 -2.82 116.25 118.32 1o1k h VAL 54 Ca 0.30 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1o1k h VAL 54 Cb 0.09 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1o1k h VAL 54 CO -0.04 0.39 -0.26 0.24 0.02 0.00 0.00 177.57 177.92 1o1k h MET 55 N -0.18 0.00 -0.66 1.57 2.07 -0.53 -2.96 114.93 114.24 1o1k h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1o1k h MET 55 Cb 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.43 1o1k h MET 55 CO 0.03 0.26 0.00 0.41 1.07 0.00 0.00 176.91 178.69 1o1k n GLY 56 N -0.28 2.69 3.67 8.32 0.00 -0.50 -4.93 105.19 114.16 1o1k n GLY 56 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1o1k n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1k s ASN 57 N -0.97 7.02 0.32 1.61 3.84 -1.06 -4.96 114.94 120.73 1o1k s ASN 57 Ca 0.49 1.26 0.01 0.00 0.21 0.00 0.00 52.86 54.83 1o1k s ASN 57 Cb 0.29 -2.49 0.56 0.00 -0.55 0.00 0.00 41.25 39.07 1o1k s ASN 57 CO 0.27 -0.50 1.94 1.55 -2.79 0.00 0.00 177.10 177.58 1o1k h PRO 58 N 7.39 0.95 -0.35 0.43 0.13 -1.91 -2.49 132.00 136.14 1o1k h PRO 58 Ca -0.26 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1o1k h PRO 58 Cb 1.11 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1o1k h PRO 58 CO 0.88 0.63 -0.17 0.87 -0.23 0.00 0.00 178.00 179.99 1o1k h LYS 59 N 0.98 0.64 -0.56 0.86 1.57 -1.93 -0.98 116.57 117.16 1o1k h LYS 59 Ca 0.34 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1o1k h LYS 59 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1o1k h LYS 59 CO -0.11 0.78 0.15 0.28 -0.57 0.00 0.00 179.45 179.98 1o1k h VAL 60 N 0.58 1.24 -0.38 0.50 2.07 -1.79 -1.36 116.25 117.10 1o1k h VAL 60 Ca 0.09 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1o1k h VAL 60 Cb 0.61 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1o1k h VAL 60 CO 0.04 0.32 -0.02 0.11 0.02 0.00 0.00 177.57 178.04 1o1k h LYS 61 N 0.79 0.68 -0.03 1.57 1.57 -1.20 0.59 116.57 120.54 1o1k h LYS 61 Ca 0.18 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1o1k h LYS 61 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1o1k h LYS 61 CO -0.00 0.80 -0.02 0.00 -0.57 0.00 0.00 179.45 179.65 1o1k h ALA 62 N 0.86 0.01 -0.27 3.86 0.00 -1.02 -1.60 119.26 121.10 1o1k h ALA 62 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 62 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1o1k h ALA 62 CO 0.02 -0.51 0.04 1.25 0.00 0.00 0.00 179.25 180.06 1o1k h HIS 63 N -0.02 0.39 -0.35 0.00 -0.00 -1.19 -2.52 115.15 111.46 1o1k h HIS 63 Ca 0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1o1k h HIS 63 Cb 0.05 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 1o1k h HIS 63 CO -0.11 0.37 -0.10 0.78 -0.00 0.00 0.00 177.93 178.86 1o1k h GLY 64 N 0.64 0.23 1.91 5.26 0.00 0.11 -0.12 103.07 111.10 1o1k h GLY 64 Ca 0.09 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1o1k h GLY 64 CO -0.00 -0.14 -0.17 0.50 0.00 0.00 0.00 176.54 176.73 1o1k h LYS 65 N -0.02 0.11 0.59 4.80 1.57 -1.06 -2.76 116.57 119.80 1o1k h LYS 65 Ca 0.17 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1o1k h LYS 65 Cb 0.28 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1o1k h LYS 65 CO -0.37 0.28 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.29 1o1k h LYS 66 N 0.10 -0.77 -0.30 3.15 3.64 -0.79 -1.43 116.57 120.17 1o1k h LYS 66 Ca 0.02 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1o1k h LYS 66 Cb 0.37 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1o1k h LYS 66 CO 0.02 -0.48 -0.07 0.11 -2.27 0.00 0.00 179.45 176.76 1o1k h TRP 67 N -1.17 0.65 0.00 1.91 5.08 -1.33 -2.70 115.95 118.38 1o1k h TRP 67 Ca -0.08 -0.14 -0.04 0.00 1.08 0.00 0.00 58.89 59.71 1o1k h TRP 67 Cb 0.64 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1o1k h TRP 67 CO 0.00 0.76 -0.20 1.25 -1.28 0.00 0.00 178.44 178.98 1o1k h LEU 68 N 0.34 0.00 -0.51 0.11 5.85 -1.61 0.43 115.31 119.93 1o1k h LEU 68 Ca 0.08 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1o1k h LEU 68 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1o1k h LEU 68 CO 0.03 0.20 0.14 1.23 -0.34 0.00 0.00 178.44 179.69 1o1k h GLY 69 N 0.61 0.86 1.09 3.75 0.00 -1.03 0.42 103.07 108.77 1o1k h GLY 69 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1o1k h GLY 69 CO 0.03 0.49 -0.02 0.00 0.00 0.00 0.00 176.54 177.04 1o1k h ALA 70 N 1.01 0.82 -0.67 3.60 0.00 -0.99 -1.69 119.26 121.34 1o1k h ALA 70 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1o1k h ALA 70 Cb 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1o1k h ALA 70 CO -0.00 0.67 0.42 0.35 0.00 0.00 0.00 179.25 180.70 1o1k h PHE 71 N 0.98 0.80 -0.14 0.00 3.57 -0.49 -2.21 116.94 119.44 1o1k h PHE 71 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1o1k h PHE 71 Cb 0.59 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1o1k h PHE 71 CO 0.04 0.47 0.09 1.03 -2.23 0.00 0.00 178.31 177.71 1o1k h SER 72 N 0.84 0.17 0.33 0.41 0.87 0.34 -1.42 113.55 115.10 1o1k h SER 72 Ca 0.26 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1o1k h SER 72 Cb -0.03 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1o1k h SER 72 CO -0.09 0.18 -0.04 0.44 -0.53 0.00 0.00 176.83 176.79 1o1k h ASP 73 N 0.16 0.00 0.14 6.23 3.32 -1.12 -1.33 116.42 123.82 1o1k h ASP 73 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1o1k h ASP 73 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1o1k h ASP 73 CO -0.01 0.04 -0.38 1.23 -1.72 0.00 0.00 179.24 178.40 1o1k h GLY 74 N 0.70 0.35 2.00 2.75 0.00 -0.63 -2.68 103.07 105.57 1o1k h GLY 74 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1o1k h GLY 74 CO 0.01 0.30 0.00 1.41 0.00 0.00 0.00 176.54 178.25 1o1k h LEU 75 N 0.28 0.00 -0.37 3.11 3.38 -1.01 0.64 115.31 121.33 1o1k h LEU 75 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1o1k h LEU 75 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1o1k h LEU 75 CO 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.45 1o1k n ALA 76 N -1.84 2.83 -2.56 1.53 0.00 -1.01 -4.04 120.51 115.41 1o1k n ALA 76 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1o1k n ALA 76 Cb 0.16 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.37 1o1k n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 77 N -0.76 1.90 0.32 0.00 8.25 0.21 -4.89 115.22 120.25 1o1k n HIS 77 Ca 0.15 -2.53 0.19 0.00 -0.26 0.00 0.00 57.72 55.26 1o1k n HIS 77 Cb 0.30 -0.27 1.03 0.00 1.12 0.00 0.00 29.99 32.17 1o1k n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1k h LEU 78 N 2.64 0.00 -0.15 2.41 -0.00 -1.69 -0.56 115.31 117.96 1o1k h LEU 78 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1o1k h LEU 78 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1o1k h LEU 78 CO 0.51 0.00 0.00 0.44 -0.00 0.00 0.00 178.44 179.39 1o1k h ASP 79 N 0.00 0.00 -1.09 -0.43 3.32 -1.90 1.59 116.42 117.90 1o1k h ASP 79 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1o1k h ASP 79 Cb 0.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.51 1o1k h ASP 79 CO 0.00 0.00 -0.74 -3.20 -1.72 0.00 0.00 179.24 173.58 1o1k n ASN 80 N -2.34 -1.75 -0.08 6.45 5.15 -0.22 -4.12 115.26 118.35 1o1k n ASN 80 Ca 0.05 -2.93 -0.15 0.00 -0.60 0.00 0.00 54.58 50.95 1o1k n ASN 80 Cb 0.40 0.75 -0.05 0.00 -0.53 0.00 0.00 39.78 40.36 1o1k n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1k h LEU 81 N 4.39 0.90 0.29 1.20 3.38 -1.76 -2.18 115.31 121.53 1o1k h LEU 81 Ca 0.01 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1o1k h LEU 81 Cb 0.98 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1o1k h LEU 81 CO 0.32 1.26 -0.31 0.11 0.09 0.00 0.00 178.44 179.91 1o1k h LYS 82 N 0.57 -0.61 -0.93 1.13 1.57 -1.90 -1.07 116.57 115.33 1o1k h LYS 82 Ca 0.02 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1o1k h LYS 82 Cb 1.09 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 1o1k h LYS 82 CO 0.11 -0.41 0.60 0.78 -0.57 0.00 0.00 179.45 179.96 1o1k h GLY 83 N -0.64 1.36 1.45 3.86 0.00 -1.95 -1.60 103.07 105.55 1o1k h GLY 83 Ca -0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1o1k h GLY 83 CO -0.07 0.39 -0.03 -0.84 0.00 0.00 0.00 176.54 175.98 1o1k h THR 84 N 1.16 1.23 -0.56 4.70 2.02 -1.02 -3.20 112.91 117.25 1o1k h THR 84 Ca 0.37 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1o1k h THR 84 Cb 0.01 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1o1k h THR 84 CO -0.12 0.33 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1o1k n PHE 85 N -4.22 0.80 -0.09 3.16 3.72 -0.44 -4.69 117.46 115.69 1o1k n PHE 85 Ca 0.02 -0.52 -0.07 0.00 -0.05 0.00 0.00 57.45 56.84 1o1k n PHE 85 Cb 0.30 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1o1k n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1k h ALA 86 N 3.27 -0.01 -0.24 4.37 0.00 -1.29 0.14 119.26 125.49 1o1k h ALA 86 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1o1k h ALA 86 Cb 0.93 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1o1k h ALA 86 CO 0.02 -0.61 0.14 1.15 0.00 0.00 0.00 179.25 179.95 1o1k h THR 87 N -0.18 1.10 -0.22 0.00 2.02 -1.85 -1.86 112.91 111.93 1o1k h THR 87 Ca 0.17 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1o1k h THR 87 Cb 0.45 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1o1k h THR 87 CO -0.45 0.10 -0.01 -0.07 0.37 0.00 0.00 175.52 175.46 1o1k h LEU 88 N 0.29 0.30 -0.25 2.58 3.38 -1.78 -1.45 115.31 118.38 1o1k h LEU 88 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1o1k h LEU 88 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1o1k h LEU 88 CO -0.02 0.36 0.08 -1.28 0.09 0.00 0.00 178.44 177.68 1o1k h SER 89 N 0.32 0.37 -0.98 -0.43 0.87 -0.23 -1.10 113.55 112.36 1o1k h SER 89 Ca 0.07 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1o1k h SER 89 Cb 0.23 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1o1k h SER 89 CO 0.01 0.47 0.62 -0.33 -0.53 0.00 0.00 176.83 177.07 1o1k h GLU 90 N 0.25 1.31 0.13 2.24 5.08 -0.91 -2.51 114.58 120.17 1o1k h GLU 90 Ca 0.08 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1o1k h GLU 90 Cb 0.23 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1o1k h GLU 90 CO -0.00 0.89 -0.06 1.25 -1.00 0.00 0.00 179.01 180.09 1o1k h LEU 91 N 1.34 -0.15 -1.99 1.33 5.85 -0.97 -0.03 115.31 120.69 1o1k h LEU 91 Ca 0.36 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1o1k h LEU 91 Cb -0.11 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1o1k h LEU 91 CO -0.07 0.02 -0.09 0.45 -0.34 0.00 0.00 178.44 178.41 1o1k h HIS 92 N -0.32 0.00 0.00 1.25 3.86 -1.06 -1.41 115.15 117.47 1o1k h HIS 92 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1o1k h HIS 92 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1o1k h HIS 92 CO -0.03 0.09 -0.15 0.00 0.86 0.00 0.00 177.93 178.70 1o1k h ASP 94 N -0.68 0.48 0.00 0.00 3.32 -1.07 -3.01 116.42 115.45 1o1k h ASP 94 Ca 0.00 -0.21 -0.27 0.00 0.02 0.00 0.00 57.03 56.57 1o1k h ASP 94 Cb 0.15 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1o1k h ASP 94 CO 0.00 0.84 -2.02 0.29 -1.72 0.00 0.00 179.24 176.63 1o1k n LYS 95 N -4.02 0.80 0.04 3.56 4.76 -0.62 -4.69 118.16 117.99 1o1k n LYS 95 Ca -0.02 0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.54 1o1k n LYS 95 Cb 0.51 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 32.26 1o1k n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1k n LEU 96 N -2.89 0.67 -3.64 -0.35 4.77 -0.69 -4.99 117.00 109.88 1o1k n LEU 96 Ca -0.30 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1o1k n LEU 96 Cb 0.88 0.05 0.07 0.00 -2.33 0.00 0.00 43.42 42.08 1o1k n LEU 96 CO 0.22 0.04 0.16 1.41 -1.33 0.00 0.00 177.39 177.89 1o1k n HIS 97 N -2.72 -2.53 -3.07 -1.77 8.25 0.38 -4.96 115.22 108.80 1o1k n HIS 97 Ca -0.07 0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 57.94 1o1k n HIS 97 Cb 0.73 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 27.01 1o1k n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1k s VAL 98 N -3.36 4.96 0.04 1.59 1.01 -0.05 -5.01 120.40 119.58 1o1k s VAL 98 Ca 0.42 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 1o1k s VAL 98 Cb -0.19 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1o1k s VAL 98 CO 0.76 0.03 1.95 -0.67 0.00 0.00 0.00 175.10 177.17 1o1k n ASP 99 N 5.64 4.11 0.07 3.32 -0.08 -1.26 -4.77 116.55 123.58 1o1k n ASP 99 Ca 0.00 0.92 0.21 0.00 -1.51 0.00 0.00 54.79 54.41 1o1k n ASP 99 Cb 0.49 -1.52 0.71 0.00 2.34 0.00 0.00 41.12 43.14 1o1k n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1k h PRO 100 N 10.21 0.00 -0.61 -0.67 0.11 -1.97 -0.67 132.00 138.40 1o1k h PRO 100 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1o1k h PRO 100 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1o1k h PRO 100 CO 0.94 0.00 0.42 1.49 -0.21 0.00 0.00 178.00 180.64 1o1k h GLU 101 N 0.00 0.26 -0.40 1.05 4.57 -1.98 -0.72 114.58 117.36 1o1k h GLU 101 Ca 0.22 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1o1k h GLU 101 Cb 1.26 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1o1k h GLU 101 CO -0.00 0.17 0.24 -0.91 -1.18 0.00 0.00 179.01 177.33 1o1k h ASN 102 N 0.27 0.47 -0.48 1.04 2.35 -1.49 -2.10 115.58 115.65 1o1k h ASN 102 Ca 0.29 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1o1k h ASN 102 Cb 0.78 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1o1k h ASN 102 CO -0.06 0.36 0.15 -0.26 -1.65 0.00 0.00 177.43 175.97 1o1k h PHE 103 N 0.55 0.82 -0.38 1.19 0.04 -1.31 -1.35 116.94 116.49 1o1k h PHE 103 Ca 0.14 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1o1k h PHE 103 Cb -0.02 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1o1k h PHE 103 CO 0.00 0.67 -0.27 0.00 -0.60 0.00 0.00 178.31 178.11 1o1k h ARG 104 N 0.78 0.85 -0.69 1.51 3.08 -1.44 -1.03 114.38 117.43 1o1k h ARG 104 Ca 0.18 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1o1k h ARG 104 Cb 0.25 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1o1k h ARG 104 CO -0.01 1.05 0.29 -0.07 -1.07 0.00 0.00 179.97 180.17 1o1k h LEU 105 N 0.66 0.95 -0.88 3.04 3.38 -1.21 -1.68 115.31 119.57 1o1k h LEU 105 Ca 0.07 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1o1k h LEU 105 Cb 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1o1k h LEU 105 CO 0.07 0.85 -0.30 0.25 0.09 0.00 0.00 178.44 179.40 1o1k h LEU 106 N 0.98 0.49 -0.65 1.67 5.85 -1.16 -1.59 115.31 120.90 1o1k h LEU 106 Ca 0.23 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1o1k h LEU 106 Cb 0.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1o1k h LEU 106 CO -0.02 0.77 0.27 1.23 -0.34 0.00 0.00 178.44 180.35 1o1k h GLY 107 N 1.05 1.04 1.38 3.75 0.00 -0.70 0.21 103.07 109.80 1o1k h GLY 107 Ca 0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1o1k h GLY 107 CO 0.06 0.52 -0.48 3.43 0.00 0.00 0.00 176.54 180.07 1o1k h ASN 108 N 0.91 0.72 -0.64 0.19 2.35 -1.05 -2.34 115.58 115.73 1o1k h ASN 108 Ca 0.22 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 1o1k h ASN 108 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1o1k h ASN 108 CO -0.02 1.08 0.05 0.58 -1.65 0.00 0.00 177.43 177.47 1o1k h VAL 109 N 0.53 1.27 -0.79 2.81 2.07 -1.07 -1.76 116.25 119.30 1o1k h VAL 109 Ca 0.03 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1o1k h VAL 109 Cb 1.03 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1o1k h VAL 109 CO 0.10 0.41 0.47 0.25 0.02 0.00 0.00 177.57 178.82 1o1k h LEU 110 N 1.01 0.71 -0.93 2.57 5.85 -0.77 -0.45 115.31 123.30 1o1k h LEU 110 Ca 0.19 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1o1k h LEU 110 Cb 0.51 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1o1k h LEU 110 CO 0.02 0.45 0.27 0.58 -0.34 0.00 0.00 178.44 179.42 1o1k h VAL 111 N 0.84 1.24 -0.63 1.05 2.07 -0.90 -1.01 116.25 118.92 1o1k h VAL 111 Ca 0.36 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1o1k h VAL 111 Cb 0.22 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1o1k h VAL 111 CO -0.19 0.31 0.15 0.00 0.02 0.00 0.00 177.57 177.86 1o1k h VAL 113 N 0.94 1.24 -0.82 0.00 2.07 -0.52 -0.77 116.25 118.38 1o1k h VAL 113 Ca 0.20 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1o1k h VAL 113 Cb 0.33 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1o1k h VAL 113 CO -0.00 0.27 0.51 -0.07 0.02 0.00 0.00 177.57 178.30 1o1k h LEU 114 N 0.28 0.98 -0.49 2.57 3.38 -1.06 0.13 115.31 121.09 1o1k h LEU 114 Ca 0.08 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1o1k h LEU 114 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1o1k h LEU 114 CO 0.01 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.21 1o1k h ALA 115 N 1.28 0.67 -0.71 1.53 0.00 -1.21 0.10 119.26 120.92 1o1k h ALA 115 Ca 0.30 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1o1k h ALA 115 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1o1k h ALA 115 CO -0.06 0.54 0.23 1.25 0.00 0.00 0.00 179.25 181.21 1o1k h HIS 116 N 0.77 1.13 -0.06 0.00 -0.00 -0.66 0.26 115.15 116.59 1o1k h HIS 116 Ca 0.13 -0.11 -0.15 0.00 -0.00 0.00 0.00 60.37 60.25 1o1k h HIS 116 Cb 0.61 -0.33 0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1o1k h HIS 116 CO 0.04 0.89 -0.55 1.25 -0.00 0.00 0.00 177.93 179.56 1o1k h HIS 117 N 1.05 0.66 0.00 5.26 6.17 -0.50 -3.36 115.15 124.44 1o1k h HIS 117 Ca 0.23 -0.32 0.00 0.00 0.71 0.00 0.00 60.37 60.99 1o1k h HIS 117 Cb 0.29 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1o1k h HIS 117 CO 0.02 1.12 -0.89 1.19 0.71 0.00 0.00 177.93 180.08 1o1k n PHE 118 N -4.22 0.06 -1.85 5.26 3.72 0.34 -5.05 117.46 115.71 1o1k n PHE 118 Ca -0.09 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1o1k n PHE 118 Cb 0.63 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1o1k n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1k n GLY 119 N 1.46 3.28 0.32 1.37 0.00 0.08 -2.63 105.19 109.06 1o1k n GLY 119 Ca 0.04 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.06 1o1k n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1k h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.63 116.57 117.68 1o1k h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1o1k h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1k h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1o1k h GLU 121 N 0.00 0.00 -3.69 0.07 4.81 -1.90 -3.30 114.58 110.57 1o1k h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1o1k h GLU 121 Cb 0.13 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.33 1o1k h GLU 121 CO 0.00 0.00 1.68 0.34 -0.73 0.00 0.00 179.01 180.30 1o1k n PHE 122 N -2.86 3.36 -1.22 0.92 7.35 -0.25 -4.94 117.46 119.82 1o1k n PHE 122 Ca 0.02 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1o1k n PHE 122 Cb 0.34 -1.91 0.13 0.00 0.35 0.00 0.00 39.48 38.40 1o1k n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1k s THR 123 N 0.18 2.70 0.23 -2.13 -4.23 -1.25 -4.73 115.64 106.42 1o1k s THR 123 Ca 0.39 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1o1k s THR 123 Cb 0.06 -2.72 0.19 0.00 1.34 0.00 0.00 72.50 71.37 1o1k s THR 123 CO 0.01 -0.30 1.76 -0.65 -0.54 0.00 0.00 174.62 174.91 1o1k h PRO 124 N -1.51 0.52 -0.41 3.99 0.11 -1.94 -0.08 132.00 132.69 1o1k h PRO 124 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1o1k h PRO 124 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1o1k h PRO 124 CO 0.55 0.35 -0.02 -1.35 -0.21 0.00 0.00 178.00 177.31 1o1k h PRO 125 N 0.54 0.66 -0.53 1.05 0.11 -1.99 -1.13 132.00 130.71 1o1k h PRO 125 Ca 0.38 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 1o1k h PRO 125 Cb 0.48 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1o1k h PRO 125 CO -0.32 0.70 -0.10 0.28 -0.21 0.00 0.00 178.00 178.34 1o1k h VAL 126 N 0.62 1.27 -0.25 3.15 2.07 -1.65 -2.50 116.25 118.96 1o1k h VAL 126 Ca 0.12 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1o1k h VAL 126 Cb 0.42 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1o1k h VAL 126 CO 0.02 0.44 0.11 -0.61 0.02 0.00 0.00 177.57 177.56 1o1k h GLN 127 N 0.88 0.36 -0.94 1.57 4.15 -0.72 -2.16 115.11 118.25 1o1k h GLN 127 Ca 0.14 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.61 1o1k h GLN 127 Cb 0.67 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.22 1o1k h GLN 127 CO 0.05 0.37 0.57 0.00 -1.93 0.00 0.00 178.83 177.89 1o1k h ALA 128 N 0.97 1.39 -0.49 3.38 0.00 -1.10 0.20 119.26 123.62 1o1k h ALA 128 Ca 0.08 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1o1k h ALA 128 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1o1k h ALA 128 CO -0.01 0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.48 1o1k h ALA 129 N 1.51 0.66 -0.07 0.00 0.00 -1.15 -2.44 119.26 117.76 1o1k h ALA 129 Ca 0.46 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 129 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1o1k h ALA 129 CO -0.26 0.41 -0.50 1.88 0.00 0.00 0.00 179.25 180.78 1o1k h TYR 130 N 0.70 0.24 -0.34 0.00 0.05 -0.67 -2.35 116.97 114.60 1o1k h TYR 130 Ca 0.15 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1o1k h TYR 130 Cb 0.43 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1o1k h TYR 130 CO 0.03 0.66 -0.09 1.96 -1.05 0.00 0.00 178.16 179.67 1o1k h GLN 131 N 0.16 0.57 -0.27 4.88 1.08 -0.43 -0.94 115.11 120.15 1o1k h GLN 131 Ca 0.01 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 1o1k h GLN 131 Cb 0.94 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1o1k h GLN 131 CO 0.08 0.66 0.00 0.87 -0.95 0.00 0.00 178.83 179.49 1o1k h LYS 132 N 0.53 0.48 0.49 1.46 1.57 -1.18 -2.45 116.57 117.47 1o1k h LYS 132 Ca 0.10 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1o1k h LYS 132 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1o1k h LYS 132 CO 0.03 0.63 -0.29 0.28 -0.57 0.00 0.00 179.45 179.53 1o1k h VAL 133 N 0.27 0.40 -0.59 0.50 2.07 -0.93 -0.21 116.25 117.76 1o1k h VAL 133 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1o1k h VAL 133 Cb 0.41 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1o1k h VAL 133 CO 0.01 0.00 0.39 -0.37 0.02 0.00 0.00 177.57 177.62 1o1k h VAL 134 N -0.74 1.12 -0.39 2.57 -1.51 -1.26 0.13 116.25 116.18 1o1k h VAL 134 Ca -0.06 -0.26 -0.13 0.00 -1.23 0.00 0.00 66.70 65.02 1o1k h VAL 134 Cb 0.60 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1o1k h VAL 134 CO 0.07 0.14 -0.26 0.00 -1.23 0.00 0.00 177.57 176.28 1o1k h ALA 135 N 1.64 0.79 -0.65 5.19 0.00 -1.28 -0.44 119.26 124.53 1o1k h ALA 135 Ca 0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1o1k h ALA 135 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1o1k h ALA 135 CO -0.05 0.65 0.10 0.78 0.00 0.00 0.00 179.25 180.73 1o1k h GLY 136 N 0.93 1.16 1.05 0.00 0.00 0.57 -1.49 103.07 105.28 1o1k h GLY 136 Ca 0.09 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 1o1k h GLY 136 CO 0.07 0.72 -0.24 -2.08 0.00 0.00 0.00 176.54 175.00 1o1k h VAL 137 N 0.99 1.28 -0.83 4.60 2.07 -0.63 -1.41 116.25 122.31 1o1k h VAL 137 Ca 0.20 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1o1k h VAL 137 Cb 0.44 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1o1k h VAL 137 CO 0.01 0.47 0.38 0.00 0.02 0.00 0.00 177.57 178.45 1o1k h ALA 138 N 0.80 1.10 -0.21 1.67 0.00 -0.92 -0.48 119.26 121.22 1o1k h ALA 138 Ca 0.08 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1o1k h ALA 138 Cb 0.81 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1o1k h ALA 138 CO 0.07 0.67 -0.52 -0.91 0.00 0.00 0.00 179.25 178.55 1o1k h ASN 139 N 1.20 0.65 -0.34 0.00 2.35 -1.19 -2.38 115.58 115.87 1o1k h ASN 139 Ca 0.28 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1o1k h ASN 139 Cb 0.15 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1o1k h ASN 139 CO -0.03 1.05 -0.01 0.00 -1.65 0.00 0.00 177.43 176.79 1o1k h ALA 140 N 0.96 1.18 0.00 -0.83 0.00 -0.78 -1.48 119.26 118.31 1o1k h ALA 140 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1o1k h ALA 140 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1o1k h ALA 140 CO 0.10 0.54 -0.25 -0.07 0.00 0.00 0.00 179.25 179.56 1o1k h LEU 141 N 0.66 0.00 -0.10 0.00 3.38 -0.93 -3.09 115.31 115.23 1o1k h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1o1k h LEU 141 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1o1k h LEU 141 CO 0.02 0.25 -0.70 0.00 0.09 0.00 0.00 178.44 178.10 1o1k n ALA 142 N -2.20 4.06 -0.34 1.53 0.00 -0.91 -4.45 120.51 118.19 1o1k n ALA 142 Ca 0.01 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.09 1o1k n ALA 142 Cb 0.50 -0.94 0.34 0.00 0.00 0.00 0.00 19.45 19.34 1o1k n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1k h HIS 143 N 0.24 1.01 -0.54 0.00 6.17 -1.19 -2.39 115.15 118.45 1o1k h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1o1k h HIS 143 Cb 0.52 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1o1k h HIS 143 CO 0.00 0.26 0.00 1.63 0.71 0.00 0.00 177.93 180.53 1o1k n LYS 144 N -4.70 4.11 -2.49 5.26 4.76 -1.26 -4.94 118.16 118.90 1o1k n LYS 144 Ca 0.22 -2.72 -0.40 0.00 -2.87 0.00 0.00 58.31 52.54 1o1k n LYS 144 Cb 0.55 -2.06 -0.04 0.00 -1.84 0.00 0.00 35.03 31.64 1o1k n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1k s TYR 145 N -2.29 3.61 0.00 2.13 1.51 -0.90 -4.75 117.35 116.65 1o1k s TYR 145 Ca 0.48 1.71 0.00 0.00 -1.01 0.00 0.00 57.07 58.25 1o1k s TYR 145 Cb 0.34 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1o1k s TYR 145 CO 0.17 -0.48 0.00 -2.39 -1.11 0.00 0.00 175.55 171.74