#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0t n HIS 2 N 0.00 2.67 -3.20 2.03 -0.00 -1.26 -4.99 115.22 110.47 1y0t n HIS 2 Ca 0.00 -2.96 -0.41 0.00 -0.00 0.00 0.00 57.72 54.34 1y0t n HIS 2 Cb 0.00 -1.06 -0.07 0.00 -0.00 0.00 0.00 29.99 28.85 1y0t n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y0t s LEU 3 N -2.98 4.30 0.67 0.27 1.02 -1.26 -5.04 118.68 115.67 1y0t s LEU 3 Ca 0.35 0.06 -0.14 0.00 0.02 0.00 0.00 54.13 54.42 1y0t s LEU 3 Cb 0.10 -2.66 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1y0t s LEU 3 CO 0.04 -0.51 1.09 0.42 0.02 0.00 0.00 176.35 177.41 1y0t s THR 4 N 2.50 3.43 0.25 5.49 -4.23 -1.26 -4.76 115.64 117.07 1y0t s THR 4 Ca 0.21 0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1y0t s THR 4 Cb -0.15 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.80 1y0t s THR 4 CO 0.14 -0.46 1.67 -0.65 -0.54 0.00 0.00 174.62 174.77 1y0t h PRO 5 N -0.15 0.22 0.00 3.99 0.11 -1.99 0.38 132.00 134.56 1y0t h PRO 5 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1y0t h PRO 5 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y0t h PRO 5 CO 0.54 0.15 -0.22 1.05 -0.21 0.00 0.00 178.00 179.31 1y0t h GLU 6 N 0.23 0.00 0.05 1.05 9.09 -1.99 0.33 114.58 123.34 1y0t h GLU 6 Ca 0.44 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.60 1y0t h GLU 6 Cb 0.79 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.90 1y0t h GLU 6 CO -0.57 0.22 -1.06 0.93 0.05 0.00 0.00 179.01 178.59 1y0t h GLU 7 N 0.00 0.43 -0.16 1.06 5.08 -0.69 -2.94 114.58 117.37 1y0t h GLU 7 Ca -0.00 -0.53 -0.14 0.00 -1.00 0.00 0.00 59.36 57.69 1y0t h GLU 7 Cb 0.51 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1y0t h GLU 7 CO 0.03 1.19 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.50 1y0t h LYS 8 N 0.22 0.43 -0.17 2.33 3.64 -0.45 -1.58 116.57 120.99 1y0t h LYS 8 Ca -0.11 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.86 1y0t h LYS 8 Cb 1.72 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1y0t h LYS 8 CO 0.19 0.83 -0.58 0.66 -2.27 0.00 0.00 179.45 178.28 1y0t h SER 9 N 0.34 0.59 -0.40 4.20 4.64 -0.99 -2.74 113.55 119.20 1y0t h SER 9 Ca 0.01 -0.33 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 1y0t h SER 9 Cb 1.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1y0t h SER 9 CO 0.09 1.04 -0.20 0.00 -0.87 0.00 0.00 176.83 176.89 1y0t h ALA 10 N 0.97 0.81 -0.18 5.18 0.00 -1.38 0.17 119.26 124.82 1y0t h ALA 10 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1y0t h ALA 10 Cb 1.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1y0t h ALA 10 CO 0.11 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.29 1y0t h VAL 11 N 0.78 1.25 -0.46 0.00 2.07 -1.19 -3.00 116.25 115.69 1y0t h VAL 11 Ca 0.11 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1y0t h VAL 11 Cb 0.74 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1y0t h VAL 11 CO 0.06 0.25 0.18 0.74 0.02 0.00 0.00 177.57 178.82 1y0t h THR 12 N 0.06 1.21 -0.20 2.57 2.02 -1.46 -0.27 112.91 116.84 1y0t h THR 12 Ca 0.05 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1y0t h THR 12 Cb 0.37 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1y0t h THR 12 CO 0.01 0.24 0.10 0.00 0.37 0.00 0.00 175.52 176.24 1y0t h ALA 13 N 1.03 0.26 -0.40 6.16 0.00 -0.68 -2.64 119.26 122.99 1y0t h ALA 13 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1y0t h ALA 13 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y0t h ALA 13 CO -0.01 -0.19 -0.16 1.25 0.00 0.00 0.00 179.25 180.14 1y0t h LEU 14 N 0.21 0.84 -2.78 0.00 5.85 -1.49 -2.61 115.31 115.32 1y0t h LEU 14 Ca 0.07 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1y0t h LEU 14 Cb 0.10 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1y0t h LEU 14 CO -0.01 1.04 0.02 -0.25 -0.34 0.00 0.00 178.44 178.90 1y0t h TRP 15 N 0.63 0.00 -0.21 1.25 2.91 -0.91 0.16 115.95 119.77 1y0t h TRP 15 Ca 0.09 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1y0t h TRP 15 Cb 0.71 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.35 1y0t h TRP 15 CO 0.05 0.00 -0.13 0.78 -1.03 0.00 0.00 178.44 178.12 1y0t h GLY 16 N 0.00 0.38 1.04 2.65 0.00 -1.09 -3.03 103.07 103.01 1y0t h GLY 16 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1y0t h GLY 16 CO 0.00 0.23 -0.34 0.28 0.00 0.00 0.00 176.54 176.70 1y0t n LYS 17 N -4.24 0.19 -2.62 4.80 5.02 0.57 -4.93 118.16 116.95 1y0t n LYS 17 Ca -0.00 -0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 1y0t n LYS 17 Cb 0.29 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1y0t n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y0t s VAL 18 N -2.87 3.81 -0.77 -0.18 1.01 -1.15 -5.01 120.40 115.24 1y0t s VAL 18 Ca 0.15 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 1y0t s VAL 18 Cb 0.18 -4.05 0.20 0.00 0.00 0.00 0.00 36.38 32.72 1y0t s VAL 18 CO 0.62 0.32 0.69 0.21 0.00 0.00 0.00 175.10 176.95 1y0t s ASN 19 N -1.18 6.45 0.43 3.32 3.84 -1.26 -4.94 114.94 121.59 1y0t s ASN 19 Ca 0.46 -2.68 0.17 0.00 0.21 0.00 0.00 52.86 51.02 1y0t s ASN 19 Cb -0.27 -2.14 1.08 0.00 -0.55 0.00 0.00 41.25 39.37 1y0t s ASN 19 CO 0.34 -0.55 1.92 -0.37 -2.79 0.00 0.00 177.10 175.65 1y0t h VAL 20 N 4.93 0.79 0.16 -5.21 -1.51 -1.95 0.98 116.25 114.44 1y0t h VAL 20 Ca 0.06 -0.13 0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1y0t h VAL 20 Cb 1.03 0.37 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 1y0t h VAL 20 CO 0.76 0.07 -0.37 0.44 -1.23 0.00 0.00 177.57 177.23 1y0t h ASP 21 N 0.38 -1.08 0.53 4.19 3.32 -1.92 -0.38 116.42 121.46 1y0t h ASP 21 Ca 0.36 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.51 1y0t h ASP 21 Cb 0.87 0.40 0.01 0.00 0.22 0.00 0.00 39.33 40.83 1y0t h ASP 21 CO -0.11 -0.47 -0.26 -0.08 -1.72 0.00 0.00 179.24 176.61 1y0t h GLU 22 N -0.63 -0.69 -0.73 3.56 4.81 -1.66 -2.85 114.58 116.38 1y0t h GLU 22 Ca 0.02 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1y0t h GLU 22 Cb 0.65 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1y0t h GLU 22 CO -0.19 -0.40 0.42 0.28 -0.73 0.00 0.00 179.01 178.39 1y0t h VAL 23 N -0.88 1.21 -0.40 0.32 2.07 -0.86 -2.25 116.25 115.46 1y0t h VAL 23 Ca -0.07 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1y0t h VAL 23 Cb 0.61 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1y0t h VAL 23 CO 0.12 0.23 0.26 1.23 0.02 0.00 0.00 177.57 179.43 1y0t h GLY 24 N 1.05 0.57 0.97 2.17 0.00 -1.10 -0.11 103.07 106.62 1y0t h GLY 24 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1y0t h GLY 24 CO -0.05 0.22 -0.04 -1.33 0.00 0.00 0.00 176.54 175.34 1y0t h GLY 25 N 0.54 0.82 0.89 4.60 0.00 -1.23 -2.51 103.07 106.18 1y0t h GLY 25 Ca 0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1y0t h GLY 25 CO -0.03 0.58 0.04 0.83 0.00 0.00 0.00 176.54 177.96 1y0t h GLU 26 N 0.59 0.51 -0.12 4.80 4.39 -1.25 -0.12 114.58 123.38 1y0t h GLU 26 Ca 0.11 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1y0t h GLU 26 Cb 0.54 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1y0t h GLU 26 CO 0.03 0.62 0.02 0.00 -1.16 0.00 0.00 179.01 178.52 1y0t h ALA 27 N 0.87 0.16 -0.13 3.43 0.00 -1.04 0.07 119.26 122.60 1y0t h ALA 27 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1y0t h ALA 27 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1y0t h ALA 27 CO 0.01 -0.20 0.01 1.25 0.00 0.00 0.00 179.25 180.31 1y0t h LEU 28 N -0.02 0.23 0.08 0.00 5.85 -1.49 -1.33 115.31 118.63 1y0t h LEU 28 Ca 0.04 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1y0t h LEU 28 Cb 0.27 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1y0t h LEU 28 CO 0.00 0.47 -0.24 1.23 -0.34 0.00 0.00 178.44 179.56 1y0t h GLY 29 N -0.02 -0.41 1.15 3.75 0.00 -0.98 -2.08 103.07 104.49 1y0t h GLY 29 Ca 0.04 0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1y0t h GLY 29 CO 0.01 -0.21 0.39 3.21 0.00 0.00 0.00 176.54 179.94 1y0t h ARG 30 N -0.42 0.50 -0.29 4.80 3.08 -0.96 -1.59 114.38 119.51 1y0t h ARG 30 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1y0t h ARG 30 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1y0t h ARG 30 CO -0.15 0.33 0.13 1.25 -1.07 0.00 0.00 179.97 180.46 1y0t h LEU 31 N 0.52 0.38 -1.73 3.04 5.85 -0.58 0.12 115.31 122.91 1y0t h LEU 31 Ca 0.26 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1y0t h LEU 31 Cb 0.36 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1y0t h LEU 31 CO -0.08 0.41 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.20 1y0t h LEU 32 N 0.33 0.00 0.00 2.25 3.38 -0.74 -2.01 115.31 118.52 1y0t h LEU 32 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1y0t h LEU 32 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1y0t h LEU 32 CO -0.01 0.17 -0.89 0.58 0.09 0.00 0.00 178.44 178.37 1y0t h VAL 33 N 0.00 1.10 -0.23 1.22 2.07 -1.12 -3.27 116.25 116.02 1y0t h VAL 33 Ca -0.00 -2.16 -0.15 0.00 0.82 0.00 0.00 66.70 65.20 1y0t h VAL 33 Cb 0.40 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1y0t h VAL 33 CO 0.02 0.37 -0.48 0.58 0.02 0.00 0.00 177.57 178.08 1y0t h VAL 34 N -1.00 1.31 -2.50 2.57 2.07 -0.73 -3.36 116.25 114.60 1y0t h VAL 34 Ca -0.24 -1.69 -0.60 0.00 0.82 0.00 0.00 66.70 64.99 1y0t h VAL 34 Cb 1.18 1.65 -0.41 0.00 -1.52 0.00 0.00 31.29 32.19 1y0t h VAL 34 CO -0.15 0.53 -0.72 -1.22 0.02 0.00 0.00 177.57 176.03 1y0t n TYR 35 N -4.00 2.23 0.27 1.57 4.01 -0.76 -4.97 117.16 115.52 1y0t n TYR 35 Ca -0.03 -4.00 0.15 0.00 -0.16 0.00 0.00 57.90 53.87 1y0t n TYR 35 Cb 0.57 -0.43 0.81 0.00 -0.31 0.00 0.00 39.34 39.98 1y0t n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y0t h PRO 36 N 4.79 0.00 0.00 -0.72 0.13 -1.72 -0.41 132.00 134.08 1y0t h PRO 36 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1y0t h PRO 36 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1y0t h PRO 36 CO 0.67 0.00 -0.19 0.11 -0.23 0.00 0.00 178.00 178.36 1y0t h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.94 115.95 113.75 1y0t h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1y0t h TRP 37 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 1y0t h TRP 37 CO 0.00 0.19 0.00 0.25 0.09 0.00 0.00 178.44 178.97 1y0t n THR 38 N -3.82 1.20 0.64 0.12 -2.24 -0.16 -2.05 114.28 107.98 1y0t n THR 38 Ca -0.02 0.35 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1y0t n THR 38 Cb 0.29 -1.22 0.38 0.00 -2.10 0.00 0.00 70.33 67.67 1y0t n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y0t n GLN 39 N -1.72 0.07 0.27 -0.78 6.02 -0.73 -3.19 117.38 117.32 1y0t n GLN 39 Ca 0.02 0.19 0.18 0.00 -0.01 0.00 0.00 57.00 57.37 1y0t n GLN 39 Cb 0.13 -1.50 0.93 0.00 1.02 0.00 0.00 30.24 30.82 1y0t n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y0t h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.63 -1.84 114.38 109.94 1y0t h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y0t h ARG 40 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1y0t h ARG 40 CO 0.00 0.00 -0.58 1.19 0.10 0.00 0.00 179.97 180.68 1y0t n PHE 41 N -3.60 0.15 -2.21 4.08 3.01 -1.19 -4.43 117.46 113.27 1y0t n PHE 41 Ca -0.01 0.04 -0.25 0.00 1.01 0.00 0.00 57.45 58.24 1y0t n PHE 41 Cb 0.21 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.33 1y0t n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y0t n PHE 42 N -1.68 3.04 0.64 1.38 3.01 -0.69 -4.80 117.46 118.35 1y0t n PHE 42 Ca 0.05 -2.61 0.09 0.00 1.01 0.00 0.00 57.45 55.98 1y0t n PHE 42 Cb 0.37 -0.25 0.39 0.00 -0.01 0.00 0.00 39.48 39.98 1y0t n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1y0t n GLU 43 N -0.61 0.02 -0.06 -1.08 0.28 -1.25 -2.26 120.64 115.66 1y0t n GLU 43 Ca 0.42 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.73 1y0t n GLU 43 Cb 0.83 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.46 1y0t n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1y0t n SER 44 N -1.49 2.63 0.01 -1.84 3.41 -1.26 -4.01 113.62 111.07 1y0t n SER 44 Ca 0.05 -1.86 0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1y0t n SER 44 Cb 0.21 -0.08 0.43 0.00 -0.26 0.00 0.00 64.21 64.50 1y0t n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y0t n PHE 45 N 1.01 0.06 -1.44 7.33 0.99 -0.96 -5.04 117.46 119.40 1y0t n PHE 45 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1y0t n PHE 45 Cb 0.51 -0.41 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 1y0t n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y0t n GLY 46 N 1.49 0.79 3.60 1.37 0.00 -1.26 -4.80 105.19 106.38 1y0t n GLY 46 Ca 0.06 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1y0t n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y0t s ASP 47 N -4.00 6.16 -0.07 1.61 3.68 -1.26 -4.82 116.67 117.97 1y0t s ASP 47 Ca 0.00 1.09 0.10 0.00 2.13 0.00 0.00 52.55 55.87 1y0t s ASP 47 Cb 0.00 -2.53 0.15 0.00 -1.45 0.00 0.00 42.92 39.09 1y0t s ASP 47 CO 0.00 -1.53 1.04 0.18 0.13 0.00 0.00 175.17 174.99 1y0t n LEU 48 N 9.37 1.60 0.24 -1.34 4.77 -1.26 -4.18 117.00 126.19 1y0t n LEU 48 Ca 0.19 -2.20 0.13 0.00 -0.03 0.00 0.00 56.01 54.11 1y0t n LEU 48 Cb 0.47 -0.22 0.78 0.00 -2.33 0.00 0.00 43.42 42.12 1y0t n LEU 48 CO 0.69 0.52 1.12 0.77 -1.33 0.00 0.00 177.39 179.15 1y0t h SER 49 N 0.00 0.00 -5.57 -1.43 4.64 -1.90 -3.43 113.55 105.86 1y0t h SER 49 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1y0t h SER 49 Cb 0.99 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.93 1y0t h SER 49 CO 0.00 0.00 -0.60 0.42 -0.87 0.00 0.00 176.83 175.78 1y0t s THR 50 N -4.83 0.00 0.20 2.95 -4.23 -1.26 -5.02 115.64 103.45 1y0t s THR 50 Ca -0.05 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 1y0t s THR 50 Cb 0.16 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.65 1y0t s THR 50 CO 0.61 -0.02 1.76 -0.65 -0.54 0.00 0.00 174.62 175.78 1y0t h PRO 51 N 2.62 0.44 -0.47 3.99 0.11 -1.99 -1.10 132.00 135.59 1y0t h PRO 51 Ca -0.36 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 1y0t h PRO 51 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1y0t h PRO 51 CO 0.53 0.29 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.93 1y0t h ASP 52 N 0.46 1.03 -0.24 -2.05 3.32 -1.97 0.83 116.42 117.79 1y0t h ASP 52 Ca 0.28 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1y0t h ASP 52 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1y0t h ASP 52 CO -0.25 1.20 0.13 0.00 -1.72 0.00 0.00 179.24 178.60 1y0t h ALA 53 N 0.86 1.70 0.00 3.45 0.00 -1.74 -1.40 119.26 122.12 1y0t h ALA 53 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y0t h ALA 53 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1y0t h ALA 53 CO 0.07 0.25 -0.05 0.28 0.00 0.00 0.00 179.25 179.80 1y0t h VAL 54 N 0.39 0.61 -0.54 0.00 2.07 -0.85 -3.06 116.25 114.87 1y0t h VAL 54 Ca 0.10 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1y0t h VAL 54 Cb 0.06 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1y0t h VAL 54 CO -0.01 0.21 0.36 0.24 0.02 0.00 0.00 177.57 178.39 1y0t h MET 55 N -1.00 0.43 0.00 1.57 2.07 -0.81 -2.73 114.93 114.46 1y0t h MET 55 Ca -0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1y0t h MET 55 Cb 0.38 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1y0t h MET 55 CO -0.00 0.28 -0.93 0.41 1.07 0.00 0.00 176.91 177.74 1y0t n GLY 56 N -1.51 -1.07 3.67 8.32 0.00 -0.53 -4.84 105.19 109.23 1y0t n GLY 56 Ca 0.08 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.10 1y0t n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y0t n ASN 57 N -1.55 3.66 -0.09 1.61 2.85 -1.03 -4.86 115.26 115.85 1y0t n ASN 57 Ca 0.04 0.91 0.09 0.00 -0.11 0.00 0.00 54.58 55.51 1y0t n ASN 57 Cb 0.35 -1.43 0.45 0.00 1.24 0.00 0.00 39.78 40.39 1y0t n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y0t h PRO 58 N 9.94 0.50 -0.33 1.20 0.13 -1.91 -1.83 132.00 139.70 1y0t h PRO 58 Ca -0.48 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1y0t h PRO 58 Cb 1.26 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1y0t h PRO 58 CO 0.95 0.33 -0.27 0.87 -0.23 0.00 0.00 178.00 179.65 1y0t h LYS 59 N 0.52 0.68 -0.29 0.86 1.57 -1.89 -2.25 116.57 115.76 1y0t h LYS 59 Ca 0.27 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1y0t h LYS 59 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1y0t h LYS 59 CO -0.08 0.88 -0.48 0.28 -0.57 0.00 0.00 179.45 179.48 1y0t h VAL 60 N 0.59 1.29 -0.34 0.50 2.07 -1.67 -1.36 116.25 117.32 1y0t h VAL 60 Ca 0.08 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1y0t h VAL 60 Cb 0.77 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1y0t h VAL 60 CO 0.06 0.54 0.07 0.11 0.02 0.00 0.00 177.57 178.37 1y0t h LYS 61 N 0.63 0.56 -0.48 1.57 1.57 -1.29 0.12 116.57 119.25 1y0t h LYS 61 Ca 0.03 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1y0t h LYS 61 Cb 1.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1y0t h LYS 61 CO 0.10 0.62 -0.07 0.00 -0.57 0.00 0.00 179.45 179.53 1y0t h ALA 62 N 0.91 0.66 -0.27 3.86 0.00 -1.38 -2.26 119.26 120.77 1y0t h ALA 62 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1y0t h ALA 62 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1y0t h ALA 62 CO 0.00 0.53 -0.11 1.25 0.00 0.00 0.00 179.25 180.92 1y0t h HIS 63 N 0.75 0.64 -0.89 0.00 -0.00 -1.17 -2.64 115.15 111.83 1y0t h HIS 63 Ca 0.13 -0.15 0.12 0.00 -0.00 0.00 0.00 60.37 60.46 1y0t h HIS 63 Cb 0.61 -0.15 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 1y0t h HIS 63 CO 0.05 0.79 0.51 0.78 -0.00 0.00 0.00 177.93 180.06 1y0t h GLY 64 N 0.30 1.43 1.28 5.26 0.00 -0.65 -0.06 103.07 110.62 1y0t h GLY 64 Ca 0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1y0t h GLY 64 CO 0.04 0.09 -0.00 1.70 0.00 0.00 0.00 176.54 178.36 1y0t h LYS 65 N 0.81 0.88 0.53 4.80 3.64 -1.35 -0.82 116.57 125.06 1y0t h LYS 65 Ca 0.45 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1y0t h LYS 65 Cb 0.49 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1y0t h LYS 65 CO -0.29 0.87 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.29 1y0t h LYS 66 N 0.81 -0.69 -0.36 1.90 3.64 -0.83 -0.47 116.57 120.57 1y0t h LYS 66 Ca 0.15 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1y0t h LYS 66 Cb 0.49 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1y0t h LYS 66 CO 0.02 -0.39 -0.08 0.28 -2.27 0.00 0.00 179.45 177.02 1y0t h VAL 67 N -0.90 0.65 0.00 2.00 2.07 -0.97 -1.16 116.25 117.94 1y0t h VAL 67 Ca -0.07 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1y0t h VAL 67 Cb 0.62 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1y0t h VAL 67 CO 0.12 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.37 1y0t h LEU 68 N 0.01 0.00 0.28 2.57 3.38 -1.13 -1.44 115.31 118.98 1y0t h LEU 68 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1y0t h LEU 68 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1y0t h LEU 68 CO -0.36 0.27 -0.13 1.23 0.09 0.00 0.00 178.44 179.53 1y0t h GLY 69 N 1.85 -0.39 1.01 0.83 0.00 0.10 0.17 103.07 106.64 1y0t h GLY 69 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1y0t h GLY 69 CO 0.04 -0.14 0.63 0.00 0.00 0.00 0.00 176.54 177.07 1y0t h ALA 70 N 0.17 1.23 -0.45 3.60 0.00 -1.05 -2.28 119.26 120.49 1y0t h ALA 70 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1y0t h ALA 70 Cb 0.38 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1y0t h ALA 70 CO 0.06 0.64 0.21 0.35 0.00 0.00 0.00 179.25 180.52 1y0t h PHE 71 N 1.32 0.65 -0.92 0.00 3.57 -0.98 -2.09 116.94 118.48 1y0t h PHE 71 Ca 0.35 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1y0t h PHE 71 Cb -0.13 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 1y0t h PHE 71 CO -0.00 0.53 0.61 0.77 -2.23 0.00 0.00 178.31 177.99 1y0t h SER 72 N 0.58 1.06 -0.42 0.41 0.02 -0.23 -0.84 113.55 114.12 1y0t h SER 72 Ca 0.15 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1y0t h SER 72 Cb 0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1y0t h SER 72 CO -0.02 0.76 0.22 0.44 -1.14 0.00 0.00 176.83 177.09 1y0t h ASP 73 N 1.25 0.57 -0.77 3.07 5.19 -1.08 -1.40 116.42 123.25 1y0t h ASP 73 Ca 0.34 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1y0t h ASP 73 Cb -0.14 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.19 1y0t h ASP 73 CO -0.08 0.49 0.46 1.23 -3.12 0.00 0.00 179.24 178.22 1y0t h GLY 74 N 0.75 1.12 2.00 2.75 0.00 -0.50 -2.14 103.07 107.06 1y0t h GLY 74 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1y0t h GLY 74 CO -0.02 0.46 0.00 1.04 0.00 0.00 0.00 176.54 178.01 1y0t n LEU 75 N -4.38 0.11 -0.70 3.11 4.77 -0.53 -1.85 117.00 117.53 1y0t n LEU 75 Ca 0.08 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1y0t n LEU 75 Cb 0.07 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1y0t n LEU 75 CO 0.37 -0.36 0.45 0.00 -1.33 0.00 0.00 177.39 176.52 1y0t n ALA 76 N -1.55 3.03 -2.66 -1.18 0.00 -0.80 -4.35 120.51 113.00 1y0t n ALA 76 Ca 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 53.44 52.74 1y0t n ALA 76 Cb 0.14 -0.78 0.04 0.00 0.00 0.00 0.00 19.45 18.85 1y0t n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0t n HIS 77 N 0.61 1.58 0.23 0.00 8.25 -0.77 -4.90 115.22 120.23 1y0t n HIS 77 Ca 0.11 -2.31 0.13 0.00 -0.26 0.00 0.00 57.72 55.39 1y0t n HIS 77 Cb 0.52 -0.27 0.67 0.00 1.12 0.00 0.00 29.99 32.04 1y0t n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y0t h LEU 78 N 2.60 0.00 0.11 2.41 4.07 -1.73 0.22 115.31 122.99 1y0t h LEU 78 Ca -0.03 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.66 1y0t h LEU 78 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1y0t h LEU 78 CO 0.36 0.00 -1.23 -0.78 -1.08 0.00 0.00 178.44 175.70 1y0t h ASP 79 N 0.00 0.36 -2.03 -0.43 -0.00 -1.90 -3.40 116.42 109.02 1y0t h ASP 79 Ca 0.00 -0.39 -0.55 0.00 -0.00 0.00 0.00 57.03 56.09 1y0t h ASP 79 Cb 0.34 -0.12 -0.40 0.00 -0.00 0.00 0.00 39.33 39.16 1y0t h ASP 79 CO 0.00 1.31 -1.06 -3.20 -0.00 0.00 0.00 179.24 176.29 1y0t n ASN 80 N -3.50 0.87 -0.10 2.28 5.15 0.76 -4.95 115.26 115.78 1y0t n ASN 80 Ca -0.08 -2.89 -0.12 0.00 -0.60 0.00 0.00 54.58 50.89 1y0t n ASN 80 Cb 1.01 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 39.59 1y0t n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y0t h LEU 81 N 3.73 0.70 -0.49 1.20 3.38 -1.75 -0.94 115.31 121.14 1y0t h LEU 81 Ca 0.09 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1y0t h LEU 81 Cb 0.86 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1y0t h LEU 81 CO 0.52 0.98 0.19 0.11 0.09 0.00 0.00 178.44 180.34 1y0t h LYS 82 N 0.42 0.37 0.13 1.13 1.57 -1.91 0.35 116.57 118.64 1y0t h LYS 82 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1y0t h LYS 82 Cb 0.74 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1y0t h LYS 82 CO 0.05 0.25 -0.06 0.78 -0.57 0.00 0.00 179.45 179.90 1y0t h GLY 83 N 0.38 -0.18 0.11 3.86 0.00 -1.94 -1.96 103.07 103.34 1y0t h GLY 83 Ca 0.23 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.72 1y0t h GLY 83 CO -0.21 -0.07 -0.09 -0.84 0.00 0.00 0.00 176.54 175.33 1y0t h THR 84 N -0.38 0.56 -0.26 4.70 2.02 -0.67 -2.77 112.91 116.12 1y0t h THR 84 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1y0t h THR 84 Cb 0.31 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1y0t h THR 84 CO 0.03 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.41 1y0t n PHE 85 N -5.31 0.33 -0.10 3.16 3.01 0.12 -4.63 117.46 114.03 1y0t n PHE 85 Ca 0.04 -0.17 -0.08 0.00 1.01 0.00 0.00 57.45 58.26 1y0t n PHE 85 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1y0t n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y0t h ALA 86 N 4.07 0.44 -0.11 4.37 0.00 -1.05 0.22 119.26 127.20 1y0t h ALA 86 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1y0t h ALA 86 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y0t h ALA 86 CO 0.00 -0.16 -0.36 1.79 0.00 0.00 0.00 179.25 180.51 1y0t h THR 87 N 0.40 1.29 -0.25 0.00 1.35 -1.82 -2.31 112.91 111.57 1y0t h THR 87 Ca 0.14 -1.40 -0.09 0.00 -0.55 0.00 0.00 66.41 64.51 1y0t h THR 87 Cb 0.02 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1y0t h THR 87 CO -0.08 0.42 -0.20 0.25 -0.25 0.00 0.00 175.52 175.66 1y0t h LEU 88 N 0.20 0.61 -0.47 3.87 5.85 -1.82 -1.43 115.31 122.12 1y0t h LEU 88 Ca 0.02 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1y0t h LEU 88 Cb 0.74 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1y0t h LEU 88 CO 0.06 0.93 0.17 -1.28 -0.34 0.00 0.00 178.44 177.98 1y0t h SER 89 N 0.29 0.17 -0.69 1.25 0.87 -0.40 -0.02 113.55 115.03 1y0t h SER 89 Ca 0.05 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1y0t h SER 89 Cb 0.74 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1y0t h SER 89 CO 0.05 0.13 0.31 -0.33 -0.53 0.00 0.00 176.83 176.46 1y0t h GLU 90 N 0.34 1.01 -0.23 2.24 5.08 -1.31 -2.31 114.58 119.41 1y0t h GLU 90 Ca 0.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1y0t h GLU 90 Cb 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1y0t h GLU 90 CO -0.23 0.81 0.10 1.25 -1.00 0.00 0.00 179.01 179.94 1y0t h LEU 91 N 0.97 0.30 -1.23 1.33 5.85 -0.71 0.88 115.31 122.70 1y0t h LEU 91 Ca 0.23 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1y0t h LEU 91 Cb 0.15 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1y0t h LEU 91 CO -0.03 0.37 0.52 0.45 -0.34 0.00 0.00 178.44 179.42 1y0t h HIS 92 N 0.22 0.99 0.00 1.25 3.86 -0.86 0.22 115.15 120.84 1y0t h HIS 92 Ca 0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1y0t h HIS 92 Cb 0.15 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1y0t h HIS 92 CO -0.02 0.63 0.00 0.00 0.86 0.00 0.00 177.93 179.40 1y0t h ASP 94 N 0.00 0.56 0.00 0.00 3.32 -0.86 -2.77 116.42 116.67 1y0t h ASP 94 Ca 0.00 -0.20 -0.31 0.00 0.02 0.00 0.00 57.03 56.54 1y0t h ASP 94 Cb 0.00 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1y0t h ASP 94 CO 0.00 0.81 -2.08 0.29 -1.72 0.00 0.00 179.24 176.54 1y0t n LYS 95 N -4.10 0.44 0.08 3.56 4.01 0.67 -4.73 118.16 118.08 1y0t n LYS 95 Ca -0.00 0.15 -0.00 0.00 -0.51 0.00 0.00 58.31 57.94 1y0t n LYS 95 Cb 0.43 -1.27 -0.04 0.00 -0.51 0.00 0.00 35.03 33.63 1y0t n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y0t h LEU 96 N -0.41 0.00 -1.71 -0.35 3.38 -1.27 -3.49 115.31 111.46 1y0t h LEU 96 Ca -0.46 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.13 1y0t h LEU 96 Cb 1.52 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.38 1y0t h LEU 96 CO -0.20 0.62 -0.80 1.41 0.09 0.00 0.00 178.44 179.56 1y0t n HIS 97 N -3.11 -2.04 -3.28 1.13 8.25 0.12 -4.97 115.22 111.32 1y0t n HIS 97 Ca -0.03 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 1y0t n HIS 97 Cb 0.82 -4.71 -0.08 0.00 1.12 0.00 0.00 29.99 27.14 1y0t n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y0t s VAL 98 N -3.53 5.06 0.07 1.59 1.01 -0.24 -5.01 120.40 119.35 1y0t s VAL 98 Ca 0.01 0.37 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 1y0t s VAL 98 Cb -0.00 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1y0t s VAL 98 CO 0.77 -0.13 1.82 -0.67 0.00 0.00 0.00 175.10 176.90 1y0t n ASP 99 N 5.62 3.75 0.33 3.32 4.64 -1.26 -4.73 116.55 128.22 1y0t n ASP 99 Ca -0.06 0.99 0.19 0.00 -1.38 0.00 0.00 54.79 54.54 1y0t n ASP 99 Cb 0.49 -1.48 1.04 0.00 -1.04 0.00 0.00 41.12 40.13 1y0t n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1y0t h PRO 100 N 8.50 0.00 -0.15 -0.67 0.11 -1.97 -1.25 132.00 136.58 1y0t h PRO 100 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1y0t h PRO 100 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1y0t h PRO 100 CO 0.94 0.00 0.12 1.49 -0.21 0.00 0.00 178.00 180.33 1y0t h GLU 101 N 0.00 0.00 -0.88 1.05 4.57 -1.98 0.20 114.58 117.54 1y0t h GLU 101 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1y0t h GLU 101 Cb 0.28 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 1y0t h GLU 101 CO 0.00 0.00 0.57 -0.91 -1.18 0.00 0.00 179.01 177.49 1y0t h ASN 102 N 0.00 0.88 -0.22 1.04 -0.26 -1.59 -0.48 115.58 114.95 1y0t h ASN 102 Ca 0.07 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.75 1y0t h ASN 102 Cb 0.31 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 1y0t h ASN 102 CO -0.00 0.57 -0.05 -0.26 -1.06 0.00 0.00 177.43 176.63 1y0t h PHE 103 N 1.00 0.58 -0.02 1.19 0.04 -1.13 -1.62 116.94 116.98 1y0t h PHE 103 Ca 0.37 -0.07 -0.24 0.00 2.80 0.00 0.00 57.97 60.83 1y0t h PHE 103 Cb 0.18 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.18 1y0t h PHE 103 CO -0.00 0.60 -0.95 0.00 -0.60 0.00 0.00 178.31 177.36 1y0t h ARG 104 N 0.52 0.55 -0.14 1.51 3.08 -1.06 -2.54 114.38 116.29 1y0t h ARG 104 Ca 0.10 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1y0t h ARG 104 Cb 0.41 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1y0t h ARG 104 CO 0.02 1.19 0.08 -0.07 -1.07 0.00 0.00 179.97 180.11 1y0t h LEU 105 N 0.32 0.12 -1.27 3.04 3.38 -1.13 -2.01 115.31 117.76 1y0t h LEU 105 Ca -0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1y0t h LEU 105 Cb 1.59 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 1y0t h LEU 105 CO 0.18 0.09 0.52 0.25 0.09 0.00 0.00 178.44 179.56 1y0t h LEU 106 N 0.16 0.81 -0.70 1.67 5.85 -1.33 -1.70 115.31 120.07 1y0t h LEU 106 Ca 0.06 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1y0t h LEU 106 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1y0t h LEU 106 CO -0.03 0.55 0.33 1.23 -0.34 0.00 0.00 178.44 180.18 1y0t h GLY 107 N 0.93 1.08 1.03 3.75 0.00 -0.96 0.24 103.07 109.15 1y0t h GLY 107 Ca 0.32 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 1y0t h GLY 107 CO -0.10 0.51 -0.08 3.43 0.00 0.00 0.00 176.54 180.31 1y0t h ASN 108 N 0.98 0.91 -0.28 0.19 2.35 -0.70 -1.29 115.58 117.73 1y0t h ASN 108 Ca 0.24 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1y0t h ASN 108 Cb 0.13 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1y0t h ASN 108 CO -0.03 1.04 0.15 0.58 -1.65 0.00 0.00 177.43 177.52 1y0t h VAL 109 N 0.76 1.13 -0.61 2.81 2.07 -1.11 -1.59 116.25 119.71 1y0t h VAL 109 Ca 0.13 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1y0t h VAL 109 Cb 0.62 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1y0t h VAL 109 CO 0.04 0.13 0.32 0.25 0.02 0.00 0.00 177.57 178.33 1y0t h LEU 110 N 0.34 0.46 -0.78 2.57 5.85 -0.32 0.68 115.31 124.10 1y0t h LEU 110 Ca 0.10 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1y0t h LEU 110 Cb 0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1y0t h LEU 110 CO -0.02 0.30 0.48 0.58 -0.34 0.00 0.00 178.44 179.44 1y0t h VAL 111 N 0.59 1.08 -0.50 1.05 2.07 -0.87 0.36 116.25 120.03 1y0t h VAL 111 Ca 0.28 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1y0t h VAL 111 Cb 0.20 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1y0t h VAL 111 CO -0.19 0.17 0.05 0.00 0.02 0.00 0.00 177.57 177.62 1y0t h VAL 113 N 0.77 1.20 -0.44 0.00 2.07 0.22 0.50 116.25 120.55 1y0t h VAL 113 Ca 0.16 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1y0t h VAL 113 Cb 0.39 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1y0t h VAL 113 CO 0.01 0.22 0.05 -0.07 0.02 0.00 0.00 177.57 177.80 1y0t h LEU 114 N 0.41 0.65 -0.28 2.57 3.38 -0.83 -1.54 115.31 119.68 1y0t h LEU 114 Ca 0.11 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1y0t h LEU 114 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1y0t h LEU 114 CO -0.01 0.69 -0.09 0.00 0.09 0.00 0.00 178.44 179.12 1y0t h ALA 115 N 1.40 0.39 -0.48 1.53 0.00 -0.89 -0.43 119.26 120.77 1y0t h ALA 115 Ca 0.14 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1y0t h ALA 115 Cb 0.34 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1y0t h ALA 115 CO 0.01 0.22 0.10 1.25 0.00 0.00 0.00 179.25 180.83 1y0t h HIS 116 N 0.30 0.17 -0.02 0.00 -0.00 -0.48 -0.79 115.15 114.33 1y0t h HIS 116 Ca 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 1y0t h HIS 116 Cb 0.58 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1y0t h HIS 116 CO 0.05 0.01 -0.20 0.45 -0.00 0.00 0.00 177.93 178.24 1y0t h HIS 117 N 0.24 0.23 -0.01 5.26 -0.00 -1.25 -3.36 115.15 116.26 1y0t h HIS 117 Ca 0.24 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1y0t h HIS 117 Cb 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1y0t h HIS 117 CO -0.22 0.88 -0.30 1.19 -0.00 0.00 0.00 177.93 179.48 1y0t n PHE 118 N -4.55 0.00 -0.81 2.45 3.01 -0.18 -5.01 117.46 112.37 1y0t n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y0t n PHE 118 Cb 0.46 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1y0t n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y0t n GLY 119 N 1.37 2.79 0.26 1.37 0.00 -0.31 -1.29 105.19 109.38 1y0t n GLY 119 Ca 0.11 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1y0t n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y0t h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.95 -0.52 116.57 115.71 1y0t h LYS 120 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 1y0t h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.22 1y0t h LYS 120 CO 0.00 0.00 -0.18 1.49 -0.00 0.00 0.00 179.45 180.76 1y0t h GLU 121 N 0.00 0.00 -4.03 0.07 4.81 -1.58 -3.33 114.58 110.53 1y0t h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1y0t h GLU 121 Cb 0.32 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.52 1y0t h GLU 121 CO 0.00 0.18 1.64 0.34 -0.73 0.00 0.00 179.01 180.44 1y0t n PHE 122 N -3.29 3.87 -1.34 0.92 7.35 -0.20 -4.94 117.46 119.83 1y0t n PHE 122 Ca 0.01 -3.06 -0.31 0.00 -0.76 0.00 0.00 57.45 53.32 1y0t n PHE 122 Cb 0.44 -2.02 0.09 0.00 0.35 0.00 0.00 39.48 38.34 1y0t n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0t s THR 123 N 0.71 3.27 0.22 -2.13 -4.23 -1.25 -4.73 115.64 107.50 1y0t s THR 123 Ca 0.40 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 61.22 1y0t s THR 123 Cb 0.03 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1y0t s THR 123 CO 0.01 -0.50 1.60 -0.65 -0.54 0.00 0.00 174.62 174.53 1y0t h PRO 124 N -0.92 -0.03 0.00 3.99 0.11 -1.94 0.36 132.00 133.57 1y0t h PRO 124 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1y0t h PRO 124 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1y0t h PRO 124 CO 0.52 -0.02 -0.23 -1.35 -0.21 0.00 0.00 178.00 176.70 1y0t h PRO 125 N -0.03 0.00 0.02 1.05 0.11 -1.99 -1.55 132.00 129.61 1y0t h PRO 125 Ca 0.33 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.20 1y0t h PRO 125 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.66 1y0t h PRO 125 CO -0.76 0.23 -1.01 0.28 -0.21 0.00 0.00 178.00 176.54 1y0t h VAL 126 N 0.00 1.39 -0.40 3.15 2.07 -0.78 -2.83 116.25 118.85 1y0t h VAL 126 Ca -0.00 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 1y0t h VAL 126 Cb 0.43 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1y0t h VAL 126 CO 0.03 0.74 0.19 -0.61 0.02 0.00 0.00 177.57 177.95 1y0t h GLN 127 N 0.24 0.58 -0.91 1.57 4.15 -0.33 -1.61 115.11 118.79 1y0t h GLN 127 Ca -0.10 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.32 1y0t h GLN 127 Cb 1.66 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 29.18 1y0t h GLN 127 CO 0.18 0.50 0.59 0.00 -1.93 0.00 0.00 178.83 178.17 1y0t h ALA 128 N 1.04 1.56 0.07 3.38 0.00 -1.26 0.40 119.26 124.45 1y0t h ALA 128 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y0t h ALA 128 Cb 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1y0t h ALA 128 CO -0.02 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 1y0t h ALA 129 N 1.53 -0.09 -0.38 0.00 0.00 -1.21 -2.52 119.26 116.58 1y0t h ALA 129 Ca 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1y0t h ALA 129 Cb 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1y0t h ALA 129 CO -0.17 -0.40 0.19 1.88 0.00 0.00 0.00 179.25 180.75 1y0t h TYR 130 N -0.39 0.50 -0.45 0.00 0.05 -0.75 -1.81 116.97 114.12 1y0t h TYR 130 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1y0t h TYR 130 Cb 0.34 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1y0t h TYR 130 CO 0.02 0.37 0.29 1.96 -1.05 0.00 0.00 178.16 179.76 1y0t h GLN 131 N 0.52 0.60 -0.80 4.88 1.08 -0.06 0.18 115.11 121.50 1y0t h GLN 131 Ca 0.14 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1y0t h GLN 131 Cb 0.04 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1y0t h GLN 131 CO -0.02 0.40 0.39 0.87 -0.95 0.00 0.00 178.83 179.53 1y0t h LYS 132 N 0.61 1.14 -0.10 1.46 1.57 -0.97 -2.69 116.57 117.59 1y0t h LYS 132 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1y0t h LYS 132 Cb -0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 1y0t h LYS 132 CO -0.03 0.87 -0.02 0.28 -0.57 0.00 0.00 179.45 179.98 1y0t h VAL 133 N 1.14 1.28 -0.23 0.50 2.07 -0.65 -0.90 116.25 119.46 1y0t h VAL 133 Ca 0.28 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1y0t h VAL 133 Cb 0.10 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1y0t h VAL 133 CO -0.04 0.26 -0.10 -0.37 0.02 0.00 0.00 177.57 177.35 1y0t h VAL 134 N -0.12 1.20 -0.14 2.57 -1.51 -0.96 0.18 116.25 117.47 1y0t h VAL 134 Ca 0.03 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 1y0t h VAL 134 Cb 0.42 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1y0t h VAL 134 CO 0.01 0.27 -0.06 0.00 -1.23 0.00 0.00 177.57 176.57 1y0t h ALA 135 N 1.55 0.20 -0.67 5.19 0.00 -1.43 0.28 119.26 124.39 1y0t h ALA 135 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1y0t h ALA 135 Cb 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1y0t h ALA 135 CO 0.02 -0.02 0.39 0.78 0.00 0.00 0.00 179.25 180.42 1y0t h GLY 136 N -0.04 0.98 0.93 0.00 0.00 -0.74 0.33 103.07 104.54 1y0t h GLY 136 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1y0t h GLY 136 CO 0.02 0.19 0.00 -2.08 0.00 0.00 0.00 176.54 174.67 1y0t h VAL 137 N 0.73 1.26 -0.87 4.60 2.07 -0.83 -0.16 116.25 123.05 1y0t h VAL 137 Ca 0.29 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1y0t h VAL 137 Cb 0.14 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1y0t h VAL 137 CO -0.16 0.33 0.57 0.00 0.02 0.00 0.00 177.57 178.34 1y0t h ALA 138 N 0.88 1.12 -0.57 1.67 0.00 -0.32 0.47 119.26 122.50 1y0t h ALA 138 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1y0t h ALA 138 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y0t h ALA 138 CO 0.02 0.48 0.21 -0.91 0.00 0.00 0.00 179.25 179.05 1y0t h ASN 139 N 1.16 0.81 -0.44 0.00 -0.26 -0.77 -2.09 115.58 113.99 1y0t h ASN 139 Ca 0.33 -0.19 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1y0t h ASN 139 Cb -0.10 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.93 1y0t h ASN 139 CO -0.08 0.78 0.01 0.00 -1.06 0.00 0.00 177.43 177.07 1y0t h ALA 140 N 1.06 1.06 0.00 -0.83 0.00 -0.51 -1.82 119.26 118.23 1y0t h ALA 140 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1y0t h ALA 140 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y0t h ALA 140 CO -0.01 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 1y0t h LEU 141 N 0.78 0.00 -0.11 0.00 3.38 -0.57 -3.03 115.31 115.76 1y0t h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1y0t h LEU 141 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1y0t h LEU 141 CO 0.02 0.00 -0.92 0.00 0.09 0.00 0.00 178.44 177.63 1y0t n ALA 142 N -1.97 4.58 0.02 1.53 0.00 -0.82 -4.38 120.51 119.48 1y0t n ALA 142 Ca 0.02 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 52.99 1y0t n ALA 142 Cb 0.32 -0.76 0.58 0.00 0.00 0.00 0.00 19.45 19.59 1y0t n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y0t h HIS 143 N 0.27 0.22 -0.46 0.00 2.07 -1.21 -1.60 115.15 114.43 1y0t h HIS 143 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1y0t h HIS 143 Cb 0.52 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.43 1y0t h HIS 143 CO 0.00 0.11 0.00 1.63 -3.07 0.00 0.00 177.93 176.60 1y0t n LYS 144 N -4.46 2.17 -2.47 5.12 4.76 -1.26 -4.93 118.16 117.09 1y0t n LYS 144 Ca 0.06 -1.81 -0.34 0.00 -2.87 0.00 0.00 58.31 53.36 1y0t n LYS 144 Cb 0.35 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1y0t n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y0t s TYR 145 N -1.38 2.92 0.00 2.13 2.02 -0.60 -4.77 117.35 117.66 1y0t s TYR 145 Ca 0.35 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.61 1y0t s TYR 145 Cb 0.18 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1y0t s TYR 145 CO 0.25 -1.00 0.00 -2.39 -1.57 0.00 0.00 175.55 170.83