#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 3.37 -3.94 2.03 -0.00 -1.26 -4.99 115.22 110.44 1y0t n HIS 2 Ca 0.00 -3.06 -0.36 0.00 -0.00 0.00 0.00 57.72 54.30 1y0t n HIS 2 Cb 0.00 -0.63 -0.07 0.00 -0.00 0.00 0.00 29.99 29.29 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 -3.78 4.18 0.28 0.27 1.43 -1.26 -5.08 118.68 114.71 1y0t s LEU 3 Ca 0.48 0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 1y0t s LEU 3 Cb 0.34 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1y0t s LEU 3 CO -0.22 0.34 0.95 -0.89 0.23 0.00 0.00 176.35 176.76 1y0t s THR 4 N -0.61 4.10 0.41 5.49 2.01 -1.26 -4.82 115.64 120.95 1y0t s THR 4 Ca 0.12 1.93 0.21 0.00 0.31 0.00 0.00 61.69 64.27 1y0t s THR 4 Cb -0.12 -4.16 0.41 0.00 0.01 0.00 0.00 72.50 68.64 1y0t s THR 4 CO 0.02 0.33 1.74 1.55 -0.69 0.00 0.00 174.62 177.57 1y0t h PRO 5 N 3.68 0.31 -0.35 4.92 0.13 -1.98 1.44 132.00 140.14 1y0t h PRO 5 Ca -0.46 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1y0t h PRO 5 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1y0t h PRO 5 CO 0.67 0.20 -0.35 0.93 -0.23 0.00 0.00 178.00 179.22 1y0t h GLU 6 N 0.32 0.81 -0.19 0.86 3.07 -1.99 -1.28 114.58 116.17 1y0t h GLU 6 Ca 0.65 -0.40 -0.18 0.00 -0.50 0.00 0.00 59.36 58.93 1y0t h GLU 6 Cb 1.75 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1y0t h GLU 6 CO -0.33 1.03 -0.61 0.93 -1.40 0.00 0.00 179.01 178.63 1y0t h GLU 7 N 0.67 0.65 -0.36 2.33 5.08 0.12 -2.59 114.58 120.49 1y0t h GLU 7 Ca 0.07 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1y0t h GLU 7 Cb 0.90 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1y0t h GLU 7 CO 0.08 1.06 0.17 0.87 -1.00 0.00 0.00 179.01 180.20 1y0t h LYS 8 N 0.48 0.52 -0.20 2.33 1.57 0.45 -2.42 116.57 119.31 1y0t h LYS 8 Ca -0.00 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1y0t h LYS 8 Cb 1.18 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1y0t h LYS 8 CO 0.12 0.47 -0.24 0.66 -0.57 0.00 0.00 179.45 179.89 1y0t h SER 9 N 0.45 0.37 -0.23 0.86 4.64 -1.21 -2.01 113.55 116.41 1y0t h SER 9 Ca 0.12 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1y0t h SER 9 Cb 0.12 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1y0t h SER 9 CO -0.02 0.61 -0.20 0.00 -0.87 0.00 0.00 176.83 176.36 1y0t h ALA 10 N 1.42 0.34 0.81 5.18 0.00 -1.32 -1.18 119.26 124.51 1y0t h ALA 10 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1y0t h ALA 10 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1y0t h ALA 10 CO 0.04 0.27 -0.48 0.28 0.00 0.00 0.00 179.25 179.36 1y0t h VAL 11 N 0.25 0.00 -0.58 0.00 2.07 -1.30 -2.77 116.25 113.91 1y0t h VAL 11 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1y0t h VAL 11 Cb 0.74 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 1y0t h VAL 11 CO 0.05 0.00 -0.02 0.74 0.02 0.00 0.00 177.57 178.37 1y0t h THR 12 N -1.21 0.51 -0.06 2.57 2.02 -1.41 -1.68 112.91 113.65 1y0t h THR 12 Ca -0.11 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1y0t h THR 12 Cb 0.96 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1y0t h THR 12 CO 0.12 0.02 -0.46 0.00 0.37 0.00 0.00 175.52 175.57 1y0t h ALA 13 N 1.54 1.12 0.19 6.16 0.00 -1.21 -2.86 119.26 124.20 1y0t h ALA 13 Ca 0.30 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1y0t h ALA 13 Cb 0.48 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.22 1y0t h ALA 13 CO -0.51 0.61 -1.33 1.25 0.00 0.00 0.00 179.25 179.26 1y0t h LEU 14 N 0.12 0.84 -1.35 0.00 7.12 -1.14 -3.30 115.31 117.60 1y0t h LEU 14 Ca 0.01 -0.88 0.10 0.00 0.13 0.00 0.00 57.88 57.24 1y0t h LEU 14 Cb 0.86 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.66 1y0t h LEU 14 CO 0.07 1.65 0.52 -0.25 -0.13 0.00 0.00 178.44 180.30 1y0t h TRP 15 N 0.17 0.78 -0.36 1.25 2.91 -1.28 -0.47 115.95 118.95 1y0t h TRP 15 Ca -0.22 0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.91 1y0t h TRP 15 Cb 2.03 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 30.41 1y0t h TRP 15 CO 0.13 0.36 0.25 0.78 -1.03 0.00 0.00 178.44 178.93 1y0t h GLY 16 N 0.72 0.08 -0.53 2.65 0.00 -1.58 -0.57 103.07 103.84 1y0t h GLY 16 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1y0t h GLY 16 CO -0.14 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.69 1y0t n LYS 17 N -4.45 1.66 -3.31 4.80 5.02 -0.19 -4.94 118.16 116.76 1y0t n LYS 17 Ca 0.05 -0.97 -0.38 0.00 -2.02 0.00 0.00 58.31 54.99 1y0t n LYS 17 Cb 0.40 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.93 4.87 -0.56 -0.18 1.01 -0.23 -5.03 120.40 118.36 1y0t s VAL 18 Ca 0.36 1.12 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1y0t s VAL 18 Cb 0.20 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1y0t s VAL 18 CO 0.31 0.51 0.69 0.21 0.00 0.00 0.00 175.10 176.82 1y0t s ASN 19 N -0.74 6.20 0.46 3.32 3.84 -1.26 -4.91 114.94 121.84 1y0t s ASN 19 Ca 0.28 -1.24 0.15 0.00 0.21 0.00 0.00 52.86 52.26 1y0t s ASN 19 Cb -0.18 -2.30 1.07 0.00 -0.55 0.00 0.00 41.25 39.29 1y0t s ASN 19 CO 0.17 -1.05 2.02 0.58 -2.79 0.00 0.00 177.10 176.03 1y0t h VAL 20 N 5.91 1.08 0.51 -5.21 2.07 -1.95 -1.21 116.25 117.45 1y0t h VAL 20 Ca -0.29 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1y0t h VAL 20 Cb 1.09 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1y0t h VAL 20 CO 1.06 0.15 -0.24 0.44 0.02 0.00 0.00 177.57 178.99 1y0t h ASP 21 N 0.00 -0.58 -0.08 0.57 5.19 -1.92 0.80 116.42 120.41 1y0t h ASP 21 Ca -0.00 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 1y0t h ASP 21 Cb 0.27 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1y0t h ASP 21 CO 0.02 -0.40 -0.21 -0.33 -3.12 0.00 0.00 179.24 175.20 1y0t h GLU 22 N -0.70 0.29 -0.34 3.56 5.08 -1.94 -2.91 114.58 117.62 1y0t h GLU 22 Ca -0.07 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1y0t h GLU 22 Cb 0.53 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1y0t h GLU 22 CO 0.11 0.81 -0.19 0.28 -1.00 0.00 0.00 179.01 179.03 1y0t h VAL 23 N -0.19 1.26 -0.12 3.13 2.07 -1.25 -2.15 116.25 119.00 1y0t h VAL 23 Ca -0.00 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1y0t h VAL 23 Cb 0.82 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1y0t h VAL 23 CO 0.05 0.40 0.04 1.23 0.02 0.00 0.00 177.57 179.31 1y0t h GLY 24 N 0.98 0.20 0.98 2.17 0.00 -0.92 -1.26 103.07 105.23 1y0t h GLY 24 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1y0t h GLY 24 CO 0.05 0.11 0.12 -1.33 0.00 0.00 0.00 176.54 175.49 1y0t h GLY 25 N 0.02 0.88 0.98 4.60 0.00 -1.44 -2.67 103.07 105.44 1y0t h GLY 25 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1y0t h GLY 25 CO -0.00 0.52 -0.05 -2.09 0.00 0.00 0.00 176.54 174.92 1y0t h GLU 26 N 0.71 0.79 0.09 4.80 4.81 -1.35 -1.60 114.58 122.83 1y0t h GLU 26 Ca 0.16 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1y0t h GLU 26 Cb 0.34 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1y0t h GLU 26 CO 0.00 0.89 -0.04 0.00 -0.73 0.00 0.00 179.01 179.13 1y0t h ALA 27 N 0.88 -0.12 -0.59 2.92 0.00 -1.24 0.12 119.26 121.23 1y0t h ALA 27 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1y0t h ALA 27 Cb 0.56 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1y0t h ALA 27 CO 0.03 -0.49 0.15 1.25 0.00 0.00 0.00 179.25 180.19 1y0t h LEU 28 N -0.28 0.88 -0.36 0.00 5.85 -1.53 -1.95 115.31 117.93 1y0t h LEU 28 Ca -0.01 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1y0t h LEU 28 Cb 0.24 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1y0t h LEU 28 CO 0.02 0.88 0.06 1.23 -0.34 0.00 0.00 178.44 180.29 1y0t h GLY 29 N 0.84 0.64 1.17 3.75 0.00 -1.25 -2.20 103.07 106.02 1y0t h GLY 29 Ca 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1y0t h GLY 29 CO 0.00 0.39 0.48 3.21 0.00 0.00 0.00 176.54 180.63 1y0t h ARG 30 N 0.43 1.10 -0.10 4.80 3.08 -0.58 -2.14 114.38 120.96 1y0t h ARG 30 Ca 0.11 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1y0t h ARG 30 Cb 0.36 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1y0t h ARG 30 CO 0.01 0.78 -0.12 1.25 -1.07 0.00 0.00 179.97 180.82 1y0t h LEU 31 N 1.12 -0.37 -1.98 3.04 5.85 -1.14 0.24 115.31 122.07 1y0t h LEU 31 Ca 0.29 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1y0t h LEU 31 Cb -0.04 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1y0t h LEU 31 CO -0.05 -0.16 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.71 1y0t h LEU 32 N -0.15 0.00 0.05 2.25 3.38 -0.79 -1.77 115.31 118.28 1y0t h LEU 32 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 1y0t h LEU 32 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1y0t h LEU 32 CO -0.20 0.10 -1.44 0.58 0.09 0.00 0.00 178.44 177.58 1y0t h VAL 33 N 0.00 0.88 -0.15 1.22 2.07 -0.79 -3.29 116.25 116.18 1y0t h VAL 33 Ca -0.00 -2.25 -0.12 0.00 0.82 0.00 0.00 66.70 65.15 1y0t h VAL 33 Cb 0.25 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1y0t h VAL 33 CO 0.01 0.52 -0.38 0.58 0.02 0.00 0.00 177.57 178.32 1y0t h VAL 34 N -0.64 1.35 -2.63 2.57 2.07 -0.51 -3.36 116.25 115.11 1y0t h VAL 34 Ca -0.35 -1.66 -0.64 0.00 0.82 0.00 0.00 66.70 64.87 1y0t h VAL 34 Cb 1.54 2.01 -0.40 0.00 -1.52 0.00 0.00 31.29 32.92 1y0t h VAL 34 CO -0.10 0.50 -0.40 -1.22 0.02 0.00 0.00 177.57 176.37 1y0t n TYR 35 N -4.30 3.50 -0.43 1.57 4.01 -0.67 -4.96 117.16 115.89 1y0t n TYR 35 Ca -0.07 -4.06 0.40 0.00 -0.16 0.00 0.00 57.90 54.01 1y0t n TYR 35 Cb 0.53 -0.71 0.77 0.00 -0.31 0.00 0.00 39.34 39.62 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 4.82 0.00 0.00 -0.72 0.13 -1.71 -0.72 132.00 133.80 1y0t h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1y0t h PRO 36 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1y0t h PRO 36 CO 0.85 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.73 1y0t h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.97 115.95 113.72 1y0t h TRP 37 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.64 1y0t h TRP 37 Cb 2.68 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.92 1y0t h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y0t n THR 38 N -2.95 0.96 0.46 0.12 -2.24 -0.28 -2.57 114.28 107.79 1y0t n THR 38 Ca -0.01 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 1y0t n THR 38 Cb 0.19 -1.08 0.38 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.78 0.08 0.33 -0.78 6.02 -0.74 -2.99 117.38 117.52 1y0t n GLN 39 Ca 0.03 0.32 0.20 0.00 -0.01 0.00 0.00 57.00 57.53 1y0t n GLN 39 Cb 0.19 -1.65 1.05 0.00 1.02 0.00 0.00 30.24 30.84 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 -1.72 -1.59 114.38 110.09 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 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1y0t h ARG 40 CO 0.00 0.00 -0.75 1.19 0.10 0.00 0.00 179.97 180.51 1y0t n PHE 41 N -3.02 0.00 -2.58 4.08 3.01 -1.16 -4.55 117.46 113.23 1y0t n PHE 41 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.19 1y0t n PHE 41 Cb 0.20 -0.04 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.05 3.12 0.07 1.38 3.01 -0.60 -4.83 117.46 118.57 1y0t n PHE 42 Ca 0.06 -3.21 -0.11 0.00 1.01 0.00 0.00 57.45 55.20 1y0t n PHE 42 Cb 0.37 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 1y0t n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y0t h GLU 43 N 2.70 0.33 0.00 -1.08 4.39 -1.80 -3.17 114.58 115.95 1y0t h GLU 43 Ca 0.22 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1y0t h GLU 43 Cb 0.90 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1y0t h GLU 43 CO 0.79 1.02 0.00 -1.13 -1.16 0.00 0.00 179.01 178.53 1y0t n SER 44 N -3.73 0.00 0.15 1.42 3.41 -1.26 -2.89 113.62 110.72 1y0t n SER 44 Ca -0.05 0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 1y0t n SER 44 Cb 0.80 -0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.49 1y0t n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y0t h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.94 -3.50 116.94 118.88 1y0t h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y0t h PHE 45 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.15 1y0t h PHE 45 CO 0.00 0.44 0.00 0.41 -0.18 0.00 0.00 178.31 178.98 1y0t n GLY 46 N 1.12 0.11 3.58 -1.45 0.00 -1.14 -4.81 105.19 102.60 1y0t n GLY 46 Ca 0.02 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 6.59 -0.13 1.61 3.68 -1.26 -4.86 116.67 118.30 1y0t s ASP 47 Ca 0.00 0.35 0.17 0.00 2.13 0.00 0.00 52.55 55.20 1y0t s ASP 47 Cb 0.00 -2.45 0.42 0.00 -1.45 0.00 0.00 42.92 39.44 1y0t s ASP 47 CO 0.00 -0.94 1.20 0.18 0.13 0.00 0.00 175.17 175.74 1y0t n LEU 48 N 6.94 2.07 0.26 -1.34 4.77 -1.26 -4.30 117.00 124.14 1y0t n LEU 48 Ca 0.06 -3.19 0.14 0.00 -0.03 0.00 0.00 56.01 52.99 1y0t n LEU 48 Cb 0.48 -0.33 0.64 0.00 -2.33 0.00 0.00 43.42 41.88 1y0t n LEU 48 CO 0.61 1.07 0.93 0.28 -1.33 0.00 0.00 177.39 178.95 1y0t h SER 49 N 1.00 0.00 -5.15 -1.43 0.02 -1.89 -3.45 113.55 102.63 1y0t h SER 49 Ca -0.09 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1y0t h SER 49 Cb 1.33 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.72 1y0t h SER 49 CO 0.04 0.10 -0.51 0.42 -1.14 0.00 0.00 176.83 175.73 1y0t s THR 50 N -3.77 0.16 0.17 -2.27 -4.23 -1.26 -5.01 115.64 99.43 1y0t s THR 50 Ca -0.00 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 1y0t s THR 50 Cb 0.10 -1.23 0.07 0.00 1.34 0.00 0.00 72.50 72.79 1y0t s THR 50 CO 0.57 -0.73 1.58 -0.65 -0.54 0.00 0.00 174.62 174.85 1y0t h PRO 51 N 3.18 -0.20 -0.51 3.99 0.11 -1.97 0.12 132.00 136.72 1y0t h PRO 51 Ca -0.33 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.89 1y0t h PRO 51 Cb 1.18 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 1y0t h PRO 51 CO 0.57 -0.14 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.73 1y0t h ASP 52 N -0.21 -0.33 0.63 -2.05 3.32 -1.97 0.52 116.42 116.32 1y0t h ASP 52 Ca 0.20 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1y0t h ASP 52 Cb 0.56 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1y0t h ASP 52 CO -0.66 -0.12 -0.19 0.00 -1.72 0.00 0.00 179.24 176.56 1y0t h ALA 53 N 1.48 1.15 0.00 3.45 0.00 -1.44 -0.40 119.26 123.50 1y0t h ALA 53 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1y0t h ALA 53 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y0t h ALA 53 CO -0.47 0.23 -0.35 0.28 0.00 0.00 0.00 179.25 178.95 1y0t h VAL 54 N 0.00 1.04 -0.02 0.00 2.07 0.13 -2.79 116.25 116.68 1y0t h VAL 54 Ca -0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1y0t h VAL 54 Cb 0.55 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1y0t h VAL 54 CO 0.02 0.35 0.01 0.24 0.02 0.00 0.00 177.57 178.22 1y0t h MET 55 N -1.00 0.01 0.00 1.57 2.07 -0.03 -2.30 114.93 115.25 1y0t h MET 55 Ca -0.08 -0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.45 1y0t h MET 55 Cb 0.82 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.53 1y0t h MET 55 CO -0.05 0.01 -1.09 0.78 1.07 0.00 0.00 176.91 177.62 1y0t h GLY 56 N 0.01 0.00 -6.20 8.32 0.00 -1.20 -3.47 103.07 100.53 1y0t h GLY 56 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 1y0t h GLY 56 CO -0.00 0.00 1.37 0.21 0.00 0.00 0.00 176.54 178.12 1y0t s ASN 57 N -5.74 5.93 0.43 0.19 3.84 -0.87 -4.85 114.94 113.87 1y0t s ASN 57 Ca -0.01 2.25 0.12 0.00 0.21 0.00 0.00 52.86 55.43 1y0t s ASN 57 Cb 0.09 -2.52 0.93 0.00 -0.55 0.00 0.00 41.25 39.20 1y0t s ASN 57 CO 0.79 -1.53 1.98 1.55 -2.79 0.00 0.00 177.10 177.10 1y0t h PRO 58 N 12.94 0.14 -0.32 0.43 0.13 -1.89 -1.57 132.00 141.86 1y0t h PRO 58 Ca -0.45 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1y0t h PRO 58 Cb 1.24 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1y0t h PRO 58 CO 0.95 0.25 -0.18 0.87 -0.23 0.00 0.00 178.00 179.67 1y0t h LYS 59 N 0.13 0.57 -0.12 0.86 1.57 -1.88 -0.64 116.57 117.06 1y0t h LYS 59 Ca 0.03 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1y0t h LYS 59 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1y0t h LYS 59 CO 0.02 0.73 -0.06 0.28 -0.57 0.00 0.00 179.45 179.84 1y0t h VAL 60 N 0.52 1.32 -0.75 0.50 2.07 -1.69 -1.61 116.25 116.60 1y0t h VAL 60 Ca 0.08 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1y0t h VAL 60 Cb 0.60 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1y0t h VAL 60 CO 0.04 0.31 0.35 0.11 0.02 0.00 0.00 177.57 178.40 1y0t h LYS 61 N -0.09 1.08 0.00 1.57 1.57 -1.13 -0.90 116.57 118.67 1y0t h LYS 61 Ca 0.03 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1y0t h LYS 61 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1y0t h LYS 61 CO 0.02 0.85 -0.81 0.00 -0.57 0.00 0.00 179.45 178.93 1y0t h ALA 62 N 1.30 0.64 -0.06 3.86 0.00 -1.10 -2.49 119.26 121.42 1y0t h ALA 62 Ca 0.26 -0.74 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1y0t h ALA 62 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1y0t h ALA 62 CO -0.03 1.02 -0.79 1.25 0.00 0.00 0.00 179.25 180.70 1y0t h HIS 63 N 0.00 0.56 -0.83 0.00 -0.00 -1.01 -2.91 115.15 110.96 1y0t h HIS 63 Ca -0.01 -0.27 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 1y0t h HIS 63 Cb 1.45 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.74 1y0t h HIS 63 CO 0.00 1.04 0.48 0.78 -0.00 0.00 0.00 177.93 180.23 1y0t h GLY 64 N 1.28 1.22 1.72 5.26 0.00 -1.07 -0.86 103.07 110.61 1y0t h GLY 64 Ca -0.04 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 1y0t h GLY 64 CO 0.14 0.51 -0.64 1.70 0.00 0.00 0.00 176.54 178.24 1y0t h LYS 65 N 1.15 0.28 -0.25 4.80 3.64 -1.41 -2.15 116.57 122.63 1y0t h LYS 65 Ca 0.30 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1y0t h LYS 65 Cb -0.01 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1y0t h LYS 65 CO -0.05 0.83 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.44 1y0t h LYS 66 N 0.20 0.65 0.11 1.90 3.64 -1.24 -1.83 116.57 120.01 1y0t h LYS 66 Ca -0.01 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1y0t h LYS 66 Cb 1.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1y0t h LYS 66 CO 0.10 0.97 -0.05 0.28 -2.27 0.00 0.00 179.45 178.48 1y0t h VAL 67 N 0.37 1.05 0.00 2.00 2.07 -1.15 -2.50 116.25 118.09 1y0t h VAL 67 Ca 0.03 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1y0t h VAL 67 Cb 0.87 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1y0t h VAL 67 CO 0.07 0.16 -0.17 -0.07 0.02 0.00 0.00 177.57 177.58 1y0t h LEU 68 N -0.46 0.00 0.74 2.57 -0.00 -1.47 -1.12 115.31 115.57 1y0t h LEU 68 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1y0t h LEU 68 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1y0t h LEU 68 CO 0.03 0.17 -0.35 1.23 -0.00 0.00 0.00 178.44 179.51 1y0t h GLY 69 N 1.05 -1.03 0.19 0.83 0.00 -1.20 0.54 103.07 103.45 1y0t h GLY 69 Ca -0.00 0.38 0.18 0.00 0.00 0.00 0.00 47.33 47.89 1y0t h GLY 69 CO 0.02 -0.38 0.60 0.00 0.00 0.00 0.00 176.54 176.79 1y0t h ALA 70 N -1.51 1.61 0.17 3.60 0.00 -1.25 -0.30 119.26 121.58 1y0t h ALA 70 Ca -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1y0t h ALA 70 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1y0t h ALA 70 CO 0.17 -0.01 -0.08 0.35 0.00 0.00 0.00 179.25 179.67 1y0t h PHE 71 N 0.79 -0.21 -0.80 0.00 3.57 -0.94 -2.74 116.94 116.60 1y0t h PHE 71 Ca 0.56 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.21 1y0t h PHE 71 Cb 0.81 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 1y0t h PHE 71 CO -0.01 -0.01 0.33 1.03 -2.23 0.00 0.00 178.31 177.42 1y0t h SER 72 N -0.38 0.31 0.65 0.41 0.87 0.17 0.19 113.55 115.76 1y0t h SER 72 Ca -0.02 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1y0t h SER 72 Cb 0.30 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1y0t h SER 72 CO 0.04 0.09 -0.34 0.44 -0.53 0.00 0.00 176.83 176.53 1y0t h ASP 73 N 0.45 0.00 0.84 6.23 3.32 -1.16 -2.72 116.42 123.38 1y0t h ASP 73 Ca 0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1y0t h ASP 73 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1y0t h ASP 73 CO -0.43 0.34 -0.13 1.23 -1.72 0.00 0.00 179.24 178.54 1y0t h GLY 74 N 1.64 0.00 1.57 2.75 0.00 -0.65 -2.73 103.07 105.65 1y0t h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y0t h GLY 74 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1y0t n LEU 75 N -3.32 0.00 -0.39 3.11 4.77 -1.03 -1.81 117.00 118.33 1y0t n LEU 75 Ca -0.00 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1y0t n LEU 75 Cb 0.35 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1y0t n LEU 75 CO 0.30 -0.08 0.24 0.00 -1.33 0.00 0.00 177.39 176.52 1y0t n ALA 76 N -1.29 3.57 -2.67 -1.18 0.00 -1.03 -4.29 120.51 113.62 1y0t n ALA 76 Ca 0.10 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 1y0t n ALA 76 Cb 0.17 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.25 1.56 0.09 0.00 8.25 -0.75 -4.88 115.22 119.25 1y0t n HIS 77 Ca 0.08 -2.23 0.06 0.00 -0.26 0.00 0.00 57.72 55.37 1y0t n HIS 77 Cb 0.40 -0.26 0.33 0.00 1.12 0.00 0.00 29.99 31.59 1y0t n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y0t n LEU 78 N -0.57 0.32 -1.03 2.41 7.94 -1.14 -0.55 117.00 124.37 1y0t n LEU 78 Ca 0.14 0.65 0.08 0.00 -1.11 0.00 0.00 56.01 55.77 1y0t n LEU 78 Cb 0.83 -0.68 0.25 0.00 0.53 0.00 0.00 43.42 44.34 1y0t n LEU 78 CO 0.15 -0.75 0.71 0.47 -1.11 0.00 0.00 177.39 176.86 1y0t n ASP 79 N -1.93 3.65 -2.70 1.96 10.43 -1.26 -1.27 116.55 125.44 1y0t n ASP 79 Ca -0.01 -2.20 -0.06 0.00 2.57 0.00 0.00 54.79 55.10 1y0t n ASP 79 Cb 0.03 -0.40 0.08 0.00 1.84 0.00 0.00 41.12 42.67 1y0t n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y0t n ASN 80 N 0.81 -1.87 0.03 -2.24 5.15 0.28 -4.59 115.26 112.85 1y0t n ASN 80 Ca 0.19 -2.54 -0.06 0.00 -0.60 0.00 0.00 54.58 51.57 1y0t n ASN 80 Cb 0.62 1.33 0.14 0.00 -0.53 0.00 0.00 39.78 41.33 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 3.07 0.46 0.02 1.20 3.38 -1.70 -2.40 115.31 119.34 1y0t h LEU 81 Ca -0.21 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1y0t h LEU 81 Cb 1.15 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1y0t h LEU 81 CO 0.04 0.84 -0.35 0.50 0.09 0.00 0.00 178.44 179.57 1y0t h LYS 82 N 0.35 -0.50 -0.10 1.13 1.63 -1.89 0.18 116.57 117.38 1y0t h LYS 82 Ca 0.03 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 1y0t h LYS 82 Cb 0.92 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1y0t h LYS 82 CO 0.08 -0.33 -0.37 0.78 -3.45 0.00 0.00 179.45 176.16 1y0t h GLY 83 N -0.52 0.21 1.46 5.01 0.00 -1.94 -1.94 103.07 105.35 1y0t h GLY 83 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 1y0t h GLY 83 CO -0.27 0.17 -0.55 -0.84 0.00 0.00 0.00 176.54 175.05 1y0t h THR 84 N 0.17 1.32 -0.68 4.70 2.02 -0.81 -3.28 112.91 116.35 1y0t h THR 84 Ca 0.02 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1y0t h THR 84 Cb 0.73 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1y0t h THR 84 CO 0.06 0.56 0.00 0.49 0.37 0.00 0.00 175.52 177.00 1y0t n PHE 85 N -3.96 0.98 0.04 3.16 3.01 0.57 -4.68 117.46 116.59 1y0t n PHE 85 Ca -0.03 -0.52 -0.11 0.00 1.01 0.00 0.00 57.45 57.80 1y0t n PHE 85 Cb 0.61 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 40.00 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 3.99 -0.41 -0.52 4.37 0.00 -1.42 0.47 119.26 125.74 1y0t h ALA 86 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y0t h ALA 86 Cb 1.02 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1y0t h ALA 86 CO 0.03 -0.81 0.04 1.15 0.00 0.00 0.00 179.25 179.66 1y0t h THR 87 N -0.43 1.24 -0.12 0.00 2.02 -1.86 -1.91 112.91 111.85 1y0t h THR 87 Ca 0.07 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 1y0t h THR 87 Cb 0.54 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1y0t h THR 87 CO -0.29 0.35 -0.47 0.25 0.37 0.00 0.00 175.52 175.72 1y0t h LEU 88 N 0.79 0.32 -0.37 2.58 5.85 -1.79 -2.12 115.31 120.57 1y0t h LEU 88 Ca 0.16 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1y0t h LEU 88 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1y0t h LEU 88 CO 0.01 0.75 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.56 1y0t h SER 89 N 0.24 0.66 -0.50 1.25 0.87 0.45 -2.16 113.55 114.36 1y0t h SER 89 Ca 0.01 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 1y0t h SER 89 Cb 0.93 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1y0t h SER 89 CO 0.08 0.83 0.09 -0.33 -0.53 0.00 0.00 176.83 176.97 1y0t h GLU 90 N 0.48 0.81 -0.24 2.24 5.08 -1.28 -2.51 114.58 119.16 1y0t h GLU 90 Ca 0.10 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1y0t h GLU 90 Cb 0.50 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1y0t h GLU 90 CO 0.02 0.80 0.03 1.25 -1.00 0.00 0.00 179.01 180.11 1y0t h LEU 91 N 0.69 -0.03 -1.29 1.33 5.85 -1.31 0.21 115.31 120.76 1y0t h LEU 91 Ca 0.15 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1y0t h LEU 91 Cb 0.38 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1y0t h LEU 91 CO 0.01 0.01 0.12 0.45 -0.34 0.00 0.00 178.44 178.69 1y0t h HIS 92 N 0.11 0.61 0.04 1.25 3.86 -1.34 0.23 115.15 119.91 1y0t h HIS 92 Ca 0.11 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1y0t h HIS 92 Cb 0.12 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1y0t h HIS 92 CO -0.17 0.51 -0.02 0.00 0.86 0.00 0.00 177.93 179.11 1y0t h ASP 94 N -0.44 0.00 0.00 0.00 3.32 -0.65 -2.95 116.42 115.70 1y0t h ASP 94 Ca -0.01 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1y0t h ASP 94 Cb 0.04 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1y0t h ASP 94 CO 0.01 0.59 -1.83 0.29 -1.72 0.00 0.00 179.24 176.58 1y0t n LYS 95 N -3.82 0.33 0.08 3.56 4.01 0.64 -4.78 118.16 118.18 1y0t n LYS 95 Ca -0.01 0.12 0.03 0.00 -0.51 0.00 0.00 58.31 57.94 1y0t n LYS 95 Cb 0.60 -1.12 -0.03 0.00 -0.51 0.00 0.00 35.03 33.96 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 -0.35 0.00 -1.27 -0.35 3.38 -1.14 -3.49 115.31 112.09 1y0t h LEU 96 Ca -0.36 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.20 1y0t h LEU 96 Cb 1.39 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.22 1y0t h LEU 96 CO -0.17 0.44 -0.76 1.41 0.09 0.00 0.00 178.44 179.45 1y0t n HIS 97 N -2.94 -2.35 -3.24 1.13 8.25 0.08 -4.96 115.22 111.19 1y0t n HIS 97 Ca -0.05 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1y0t n HIS 97 Cb 0.75 -4.61 -0.07 0.00 1.12 0.00 0.00 29.99 27.19 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 -3.41 5.10 0.11 1.59 1.01 -0.60 -5.03 120.40 119.17 1y0t s VAL 98 Ca 0.35 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 1y0t s VAL 98 Cb -0.16 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1y0t s VAL 98 CO 0.78 0.17 1.45 -0.62 0.00 0.00 0.00 175.10 176.88 1y0t s ASP 99 N 1.17 6.75 0.59 3.32 3.68 -1.26 -4.77 116.67 126.16 1y0t s ASP 99 Ca 0.24 2.38 0.29 0.00 2.13 0.00 0.00 52.55 57.59 1y0t s ASP 99 Cb -0.15 -2.58 1.56 0.00 -1.45 0.00 0.00 42.92 40.29 1y0t s ASP 99 CO 0.10 -0.72 1.86 -0.65 0.13 0.00 0.00 175.17 175.89 1y0t h PRO 100 N 7.04 0.00 0.00 4.34 0.11 -1.97 -1.48 132.00 140.04 1y0t h PRO 100 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1y0t h PRO 100 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y0t h PRO 100 CO 0.89 0.00 -0.02 1.49 -0.21 0.00 0.00 178.00 180.15 1y0t h GLU 101 N 0.00 0.00 -0.62 1.05 4.57 -1.98 -1.15 114.58 116.44 1y0t h GLU 101 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1y0t h GLU 101 Cb 0.53 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1y0t h GLU 101 CO 0.00 0.02 0.41 -0.91 -1.18 0.00 0.00 179.01 177.35 1y0t h ASN 102 N 0.00 0.64 -0.49 1.04 -0.26 -1.64 -1.52 115.58 113.35 1y0t h ASN 102 Ca -0.00 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1y0t h ASN 102 Cb 0.03 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.12 1y0t h ASN 102 CO 0.00 0.44 0.16 -0.26 -1.06 0.00 0.00 177.43 176.71 1y0t h PHE 103 N 0.74 0.83 -0.06 1.19 0.04 -1.38 -1.25 116.94 117.05 1y0t h PHE 103 Ca 0.25 -0.06 -0.24 0.00 2.80 0.00 0.00 57.97 60.71 1y0t h PHE 103 Cb 0.07 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 37.99 1y0t h PHE 103 CO -0.00 0.68 -0.93 0.00 -0.60 0.00 0.00 178.31 177.47 1y0t h ARG 104 N 0.79 0.68 -0.27 1.51 3.08 -1.39 -2.31 114.38 116.48 1y0t h ARG 104 Ca 0.18 -0.65 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1y0t h ARG 104 Cb 0.25 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1y0t h ARG 104 CO -0.01 1.25 0.16 -0.07 -1.07 0.00 0.00 179.97 180.23 1y0t h LEU 105 N 0.42 0.32 -0.45 3.04 3.38 -0.96 -2.49 115.31 118.57 1y0t h LEU 105 Ca -0.09 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1y0t h LEU 105 Cb 1.56 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 1y0t h LEU 105 CO 0.18 0.29 0.28 0.25 0.09 0.00 0.00 178.44 179.53 1y0t h LEU 106 N 0.33 0.45 -0.56 1.67 5.85 -1.27 -0.93 115.31 120.85 1y0t h LEU 106 Ca 0.10 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1y0t h LEU 106 Cb 0.03 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 1y0t h LEU 106 CO -0.02 0.33 0.04 1.23 -0.34 0.00 0.00 178.44 179.67 1y0t h GLY 107 N 0.56 0.63 1.06 3.75 0.00 -1.22 0.82 103.07 108.67 1y0t h GLY 107 Ca 0.18 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 1y0t h GLY 107 CO -0.07 -0.15 -0.06 3.43 0.00 0.00 0.00 176.54 179.69 1y0t h ASN 108 N 0.15 0.97 -0.18 0.19 2.35 -1.03 -1.45 115.58 116.59 1y0t h ASN 108 Ca 0.29 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1y0t h ASN 108 Cb 0.45 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1y0t h ASN 108 CO -0.45 1.07 0.11 0.58 -1.65 0.00 0.00 177.43 177.10 1y0t h VAL 109 N 0.85 1.04 -0.45 2.81 2.07 0.30 -2.06 116.25 120.81 1y0t h VAL 109 Ca 0.14 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1y0t h VAL 109 Cb 0.61 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 1y0t h VAL 109 CO 0.04 0.04 -0.17 0.25 0.02 0.00 0.00 177.57 177.75 1y0t h LEU 110 N 0.23 -0.60 -1.15 2.57 5.85 0.94 0.10 115.31 123.26 1y0t h LEU 110 Ca 0.06 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1y0t h LEU 110 Cb -0.02 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1y0t h LEU 110 CO -0.02 -0.21 0.59 0.58 -0.34 0.00 0.00 178.44 179.04 1y0t h VAL 111 N -0.07 1.09 -0.31 1.05 2.07 -1.01 -0.19 116.25 118.87 1y0t h VAL 111 Ca 0.22 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1y0t h VAL 111 Cb 0.41 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1y0t h VAL 111 CO -0.51 0.19 -0.31 0.00 0.02 0.00 0.00 177.57 176.97 1y0t h VAL 113 N 0.56 1.26 -0.84 0.00 2.07 0.26 -1.41 116.25 118.14 1y0t h VAL 113 Ca 0.07 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1y0t h VAL 113 Cb 0.80 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1y0t h VAL 113 CO 0.07 0.29 0.52 -0.07 0.02 0.00 0.00 177.57 178.40 1y0t h LEU 114 N 0.26 1.00 -0.65 2.57 3.38 -0.96 -0.46 115.31 120.45 1y0t h LEU 114 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1y0t h LEU 114 Cb 0.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1y0t h LEU 114 CO 0.01 0.76 0.21 0.00 0.09 0.00 0.00 178.44 179.52 1y0t h ALA 115 N 1.28 0.85 -0.28 1.53 0.00 -1.18 -0.30 119.26 121.16 1y0t h ALA 115 Ca 0.30 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1y0t h ALA 115 Cb -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1y0t h ALA 115 CO -0.06 0.52 0.04 1.25 0.00 0.00 0.00 179.25 181.00 1y0t h HIS 116 N 0.94 0.06 -0.07 0.00 -0.00 -0.46 -1.18 115.15 114.44 1y0t h HIS 116 Ca 0.21 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.53 1y0t h HIS 116 Cb 0.28 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1y0t h HIS 116 CO 0.02 0.00 -0.22 0.45 -0.00 0.00 0.00 177.93 178.18 1y0t h HIS 117 N 0.14 0.36 -0.01 5.26 -0.00 -0.94 -3.37 115.15 116.59 1y0t h HIS 117 Ca 0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1y0t h HIS 117 Cb 0.15 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1y0t h HIS 117 CO -0.18 0.84 -0.40 1.19 -0.00 0.00 0.00 177.93 179.38 1y0t n PHE 118 N -4.52 0.00 0.00 2.45 3.01 -0.14 -5.02 117.46 113.24 1y0t n PHE 118 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1y0t n PHE 118 Cb 0.44 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.39 2.12 0.33 1.37 0.00 -0.45 -0.78 105.19 109.17 1y0t n GLY 119 Ca 0.10 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.01 -0.69 1.61 2.10 -1.95 -0.91 116.57 116.72 1y0t h LYS 120 Ca 0.00 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.84 1y0t h LYS 120 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1y0t h LYS 120 CO 0.00 -0.00 0.49 1.49 -2.00 0.00 0.00 179.45 179.43 1y0t h GLU 121 N -0.01 0.08 -4.02 0.07 4.81 -1.36 -3.28 114.58 110.87 1y0t h GLU 121 Ca 0.41 -0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.89 1y0t h GLU 121 Cb 0.64 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.84 1y0t h GLU 121 CO -0.91 0.05 1.75 0.34 -0.73 0.00 0.00 179.01 179.51 1y0t n PHE 122 N -4.37 3.78 -1.70 0.92 7.35 -0.35 -4.93 117.46 118.16 1y0t n PHE 122 Ca 0.14 -3.02 -0.31 0.00 -0.76 0.00 0.00 57.45 53.49 1y0t n PHE 122 Cb 0.71 -2.05 0.03 0.00 0.35 0.00 0.00 39.48 38.52 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 0.87 4.32 0.25 -2.13 -4.23 -1.24 -4.75 115.64 108.73 1y0t s THR 123 Ca 0.41 0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 61.62 1y0t s THR 123 Cb 0.04 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.56 1y0t s THR 123 CO 0.00 -0.98 1.64 -0.65 -0.54 0.00 0.00 174.62 174.09 1y0t h PRO 124 N -0.55 0.13 -0.33 3.99 0.11 -1.94 0.44 132.00 133.86 1y0t h PRO 124 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1y0t h PRO 124 Cb 1.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1y0t h PRO 124 CO 0.59 0.09 -0.12 -1.35 -0.21 0.00 0.00 178.00 177.00 1y0t h PRO 125 N 0.14 0.57 -0.13 1.05 0.11 -1.99 -1.05 132.00 130.70 1y0t h PRO 125 Ca 0.44 -0.17 -0.22 0.00 0.11 0.00 0.00 66.00 66.16 1y0t h PRO 125 Cb 0.79 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.86 1y0t h PRO 125 CO -0.65 0.68 -0.80 0.28 -0.21 0.00 0.00 178.00 177.29 1y0t h VAL 126 N 0.52 1.29 -0.69 3.15 2.07 -0.83 -2.83 116.25 118.92 1y0t h VAL 126 Ca 0.09 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.61 1y0t h VAL 126 Cb 0.51 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1y0t h VAL 126 CO 0.03 0.64 0.45 -0.61 0.02 0.00 0.00 177.57 178.10 1y0t h GLN 127 N 0.50 0.88 -0.62 1.57 4.15 -0.08 -2.00 115.11 119.51 1y0t h GLN 127 Ca -0.06 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.37 1y0t h GLN 127 Cb 1.43 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.87 1y0t h GLN 127 CO 0.16 0.58 0.32 0.00 -1.93 0.00 0.00 178.83 177.96 1y0t h ALA 128 N 1.27 0.83 -0.33 3.38 0.00 -1.15 0.40 119.26 123.65 1y0t h ALA 128 Ca 0.26 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1y0t h ALA 128 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1y0t h ALA 128 CO -0.08 -0.04 -0.26 0.00 0.00 0.00 0.00 179.25 178.88 1y0t h ALA 129 N 1.35 0.92 -0.10 0.00 0.00 -1.25 -2.68 119.26 117.51 1y0t h ALA 129 Ca 0.29 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1y0t h ALA 129 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1y0t h ALA 129 CO -0.21 0.62 -0.53 1.88 0.00 0.00 0.00 179.25 181.01 1y0t h TYR 130 N 0.59 0.34 -0.39 0.00 0.05 -0.54 -2.35 116.97 114.68 1y0t h TYR 130 Ca 0.08 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1y0t h TYR 130 Cb 0.75 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1y0t h TYR 130 CO 0.03 0.75 -0.04 1.96 -1.05 0.00 0.00 178.16 179.81 1y0t h GLN 131 N 0.22 0.63 -0.20 4.88 1.08 -0.07 -0.54 115.11 121.11 1y0t h GLN 131 Ca 0.00 -0.17 -0.14 0.00 -1.45 0.00 0.00 58.65 56.90 1y0t h GLN 131 Cb 1.01 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1y0t h GLN 131 CO 0.08 0.68 -0.46 0.87 -0.95 0.00 0.00 178.83 179.05 1y0t h LYS 132 N 0.60 0.51 -0.07 1.46 1.57 -1.23 -2.29 116.57 117.12 1y0t h LYS 132 Ca 0.12 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1y0t h LYS 132 Cb 0.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1y0t h LYS 132 CO 0.02 0.87 -0.13 0.28 -0.57 0.00 0.00 179.45 179.92 1y0t h VAL 133 N 0.41 1.41 -0.69 0.50 2.07 -0.86 -0.87 116.25 118.22 1y0t h VAL 133 Ca 0.02 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1y0t h VAL 133 Cb 0.97 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1y0t h VAL 133 CO 0.09 0.40 0.44 -0.37 0.02 0.00 0.00 177.57 178.14 1y0t h VAL 134 N -0.28 1.19 -0.14 2.57 -1.51 -1.15 0.72 116.25 117.65 1y0t h VAL 134 Ca 0.00 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1y0t h VAL 134 Cb 0.70 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1y0t h VAL 134 CO 0.03 0.19 0.08 0.00 -1.23 0.00 0.00 177.57 176.64 1y0t h ALA 135 N 1.23 0.18 -0.28 5.19 0.00 -1.45 -0.46 119.26 123.67 1y0t h ALA 135 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1y0t h ALA 135 Cb -0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1y0t h ALA 135 CO -0.05 -0.30 -0.10 0.78 0.00 0.00 0.00 179.25 179.58 1y0t h GLY 136 N 0.14 0.16 0.98 0.00 0.00 -0.43 -0.32 103.07 103.59 1y0t h GLY 136 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1y0t h GLY 136 CO -0.01 -0.13 0.24 -2.08 0.00 0.00 0.00 176.54 174.57 1y0t h VAL 137 N -0.04 1.08 -0.72 4.60 2.07 0.79 -1.19 116.25 122.84 1y0t h VAL 137 Ca 0.14 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1y0t h VAL 137 Cb 0.25 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1y0t h VAL 137 CO -0.31 0.09 0.45 0.00 0.02 0.00 0.00 177.57 177.82 1y0t h ALA 138 N 1.15 0.94 -0.47 1.67 0.00 -0.58 -0.31 119.26 121.67 1y0t h ALA 138 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1y0t h ALA 138 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1y0t h ALA 138 CO -0.04 0.23 0.18 -0.91 0.00 0.00 0.00 179.25 178.72 1y0t h ASN 139 N 0.88 0.65 -0.34 0.00 2.35 -0.81 -1.83 115.58 116.49 1y0t h ASN 139 Ca 0.29 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1y0t h ASN 139 Cb 0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1y0t h ASN 139 CO -0.11 0.64 0.18 0.00 -1.65 0.00 0.00 177.43 176.49 1y0t h ALA 140 N 1.03 0.43 0.00 -0.83 0.00 -0.79 -1.32 119.26 117.78 1y0t h ALA 140 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1y0t h ALA 140 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y0t h ALA 140 CO -0.01 -0.03 -0.21 -0.07 0.00 0.00 0.00 179.25 178.93 1y0t h LEU 141 N 0.42 0.00 0.00 0.00 3.38 -0.86 -2.88 115.31 115.37 1y0t h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1y0t h LEU 141 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1y0t h LEU 141 CO -0.02 0.21 -0.64 0.00 0.09 0.00 0.00 178.44 178.08 1y0t n ALA 142 N -2.41 3.34 -0.29 1.53 0.00 -0.70 -4.31 120.51 117.67 1y0t n ALA 142 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1y0t n ALA 142 Cb 0.29 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 18.86 1y0t n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y0t h HIS 143 N 0.00 0.67 -0.20 0.00 6.17 -1.01 -2.70 115.15 118.07 1y0t h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1y0t h HIS 143 Cb 0.62 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.38 1y0t h HIS 143 CO 0.00 0.11 0.00 1.63 0.71 0.00 0.00 177.93 180.38 1y0t n LYS 144 N -4.94 1.71 -2.18 5.26 4.76 -1.26 -4.93 118.16 116.57 1y0t n LYS 144 Ca 0.17 -1.07 -0.40 0.00 -2.87 0.00 0.00 58.31 54.14 1y0t n LYS 144 Cb 0.47 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 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 -1.74 3.06 0.00 2.13 2.02 -1.02 -4.80 117.35 117.00 1y0t s TYR 145 Ca 0.29 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 1y0t s TYR 145 Cb 0.16 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.15 1y0t s TYR 145 CO 0.23 -1.63 0.00 -2.39 -1.57 0.00 0.00 175.55 170.19