#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y01 n SER 3 N 0.00 -4.26 0.09 -1.43 2.88 -1.26 -4.83 113.62 104.80 1y01 n SER 3 Ca 0.00 0.40 -0.12 0.00 -1.33 0.00 0.00 58.87 57.81 1y01 n SER 3 Cb 0.00 -0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 62.63 1y01 n SER 3 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1y01 h PRO 4 N -0.41 0.19 -0.08 -1.46 0.11 -2.04 -2.81 132.00 125.50 1y01 h PRO 4 Ca -0.38 -0.30 0.01 0.00 0.11 0.00 0.00 66.00 65.44 1y01 h PRO 4 Cb 1.24 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1y01 h PRO 4 CO 0.30 1.11 0.02 0.00 -0.21 0.00 0.00 178.00 179.22 1y01 h ALA 5 N 0.77 0.09 -0.50 -0.75 0.00 -2.00 -1.67 119.26 115.19 1y01 h ALA 5 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1y01 h ALA 5 Cb 1.82 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 1y01 h ALA 5 CO 0.17 -0.44 -0.41 -0.44 0.00 0.00 0.00 179.25 178.12 1y01 h ASP 6 N 0.06 -1.40 -1.05 0.00 3.45 -1.91 0.20 116.42 115.77 1y01 h ASP 6 Ca 0.04 0.23 0.27 0.00 0.43 0.00 0.00 57.03 58.00 1y01 h ASP 6 Cb 0.02 0.63 -0.10 0.00 -0.56 0.00 0.00 39.33 39.33 1y01 h ASP 6 CO -0.04 -0.34 0.67 0.11 -1.57 0.00 0.00 179.24 178.07 1y01 h LYS 7 N -0.26 0.37 -0.16 3.56 1.57 -1.06 0.17 116.57 120.77 1y01 h LYS 7 Ca 0.17 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 1y01 h LYS 7 Cb 0.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y01 h LYS 7 CO -0.63 0.25 -0.71 1.15 -0.57 0.00 0.00 179.45 178.94 1y01 h THR 8 N 0.38 1.31 -0.15 -0.16 2.02 0.05 -2.93 112.91 113.43 1y01 h THR 8 Ca 0.60 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1y01 h THR 8 Cb 1.54 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1y01 h THR 8 CO -0.30 0.61 0.05 0.78 0.37 0.00 0.00 175.52 177.04 1y01 h ASN 9 N 0.48 0.21 0.34 4.18 -0.26 0.21 -2.66 115.58 118.08 1y01 h ASN 9 Ca -0.03 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1y01 h ASN 9 Cb 1.31 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 38.49 1y01 h ASN 9 CO 0.14 0.33 -0.40 0.58 -1.06 0.00 0.00 177.43 177.02 1y01 h VAL 10 N 0.07 0.19 -0.64 2.81 2.07 -1.18 0.20 116.25 119.77 1y01 h VAL 10 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1y01 h VAL 10 Cb 0.19 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1y01 h VAL 10 CO -0.00 0.00 0.30 0.11 0.02 0.00 0.00 177.57 178.00 1y01 h LYS 11 N -0.77 0.52 0.66 1.57 1.57 -1.57 -1.15 116.57 117.39 1y01 h LYS 11 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1y01 h LYS 11 Cb 0.71 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1y01 h LYS 11 CO -0.10 0.35 -0.49 0.00 -0.57 0.00 0.00 179.45 178.63 1y01 h ALA 12 N 1.39 -1.22 -0.08 3.86 0.00 -1.19 0.16 119.26 122.19 1y01 h ALA 12 Ca 0.31 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1y01 h ALA 12 Cb 0.31 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1y01 h ALA 12 CO -0.25 -1.21 -0.41 0.00 0.00 0.00 0.00 179.25 177.38 1y01 h ALA 13 N -1.08 -0.60 -0.49 0.00 0.00 -0.72 -1.25 119.26 115.13 1y01 h ALA 13 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1y01 h ALA 13 Cb 0.92 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1y01 h ALA 13 CO 0.03 -0.92 0.27 2.35 0.00 0.00 0.00 179.25 180.98 1y01 h TRP 14 N -0.51 0.50 -0.57 0.00 2.91 -1.21 0.07 115.95 117.13 1y01 h TRP 14 Ca 0.07 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.24 1y01 h TRP 14 Cb 0.63 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1y01 h TRP 14 CO -0.45 0.27 0.40 0.78 -1.03 0.00 0.00 178.44 178.40 1y01 h GLY 15 N 0.53 0.24 0.97 2.65 0.00 -0.41 0.73 103.07 107.78 1y01 h GLY 15 Ca 0.20 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 1y01 h GLY 15 CO -0.12 0.03 -0.33 0.07 0.00 0.00 0.00 176.54 176.18 1y01 h LYS 16 N 0.15 0.68 0.56 4.80 5.09 0.15 -3.20 116.57 124.81 1y01 h LYS 16 Ca 0.27 -0.39 -0.02 0.00 0.09 0.00 0.00 60.65 60.61 1y01 h LYS 16 Cb 0.87 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.21 1y01 h LYS 16 CO -0.04 1.00 -0.51 0.28 -2.09 0.00 0.00 179.45 178.10 1y01 h VAL 17 N 0.41 0.00 0.00 0.07 2.07 0.14 -3.44 116.25 115.49 1y01 h VAL 17 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1y01 h VAL 17 Cb 0.92 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1y01 h VAL 17 CO 0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1y01 n GLY 18 N -1.58 2.35 0.00 2.17 0.00 0.98 -2.71 105.19 106.40 1y01 n GLY 18 Ca -0.13 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1y01 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y01 n ALA 19 N 10.08 1.42 0.01 4.61 0.00 -1.26 -2.68 120.51 132.68 1y01 n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y01 n ALA 19 Cb 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1y01 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y01 n HIS 20 N -0.74 0.01 -0.20 0.00 8.25 -1.10 -4.79 115.22 116.65 1y01 n HIS 20 Ca 0.00 -0.22 -0.13 0.00 -0.26 0.00 0.00 57.72 57.11 1y01 n HIS 20 Cb 0.00 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 1y01 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y01 h ALA 21 N 0.12 -0.67 -0.03 -1.41 0.00 -1.75 0.21 119.26 115.71 1y01 h ALA 21 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y01 h ALA 21 Cb 0.24 1.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1y01 h ALA 21 CO 0.00 -1.01 -0.54 0.78 0.00 0.00 0.00 179.25 178.48 1y01 h GLY 22 N -0.30 -1.12 -0.08 0.00 0.00 -1.87 0.63 103.07 100.33 1y01 h GLY 22 Ca 0.11 0.67 0.12 0.00 0.00 0.00 0.00 47.33 48.23 1y01 h GLY 22 CO -0.67 -0.22 -0.05 0.83 0.00 0.00 0.00 176.54 176.42 1y01 h GLU 23 N -0.65 0.07 -0.20 4.80 5.08 -1.76 0.18 114.58 122.10 1y01 h GLU 23 Ca 0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1y01 h GLU 23 Cb 0.71 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1y01 h GLU 23 CO -0.38 0.05 -0.13 1.88 -1.00 0.00 0.00 179.01 179.43 1y01 h TYR 24 N 0.07 0.34 -0.06 4.33 0.99 0.15 -1.02 116.97 121.78 1y01 h TYR 24 Ca 0.30 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 61.00 1y01 h TYR 24 Cb 0.48 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.11 1y01 h TYR 24 CO -0.40 0.45 -0.01 0.78 -0.00 0.00 0.00 178.16 178.98 1y01 h GLY 25 N 0.82 0.05 0.85 3.88 0.00 0.33 -0.81 103.07 108.19 1y01 h GLY 25 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1y01 h GLY 25 CO 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 176.54 176.59 1y01 h ALA 26 N 1.05 0.15 -0.97 3.60 0.00 -1.03 -2.47 119.26 119.59 1y01 h ALA 26 Ca 0.03 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1y01 h ALA 26 Cb 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 1y01 h ALA 26 CO -0.05 -0.25 0.58 1.49 0.00 0.00 0.00 179.25 181.02 1y01 h GLU 27 N 0.01 0.79 0.60 0.00 4.81 -1.00 -0.87 114.58 118.92 1y01 h GLU 27 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1y01 h GLU 27 Cb 0.19 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1y01 h GLU 27 CO -0.00 0.52 -0.29 0.00 -0.73 0.00 0.00 179.01 178.51 1y01 h ALA 28 N 1.59 -0.81 -0.90 2.92 0.00 -0.79 -1.62 119.26 119.66 1y01 h ALA 28 Ca 0.53 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.48 1y01 h ALA 28 Cb 0.72 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1y01 h ALA 28 CO -0.34 -0.95 0.42 -0.07 0.00 0.00 0.00 179.25 178.31 1y01 h LEU 29 N -0.81 0.40 -0.47 0.00 -0.00 -0.83 0.21 115.31 113.82 1y01 h LEU 29 Ca -0.08 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1y01 h LEU 29 Cb 0.62 0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 1y01 h LEU 29 CO 0.14 0.04 0.23 -0.33 -0.00 0.00 0.00 178.44 178.52 1y01 h GLU 30 N 0.45 0.67 -0.54 1.13 5.08 -0.80 -2.05 114.58 118.52 1y01 h GLU 30 Ca 0.56 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1y01 h GLU 30 Cb 1.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1y01 h GLU 30 CO -0.50 0.56 0.26 0.00 -1.00 0.00 0.00 179.01 178.33 1y01 h ARG 31 N 0.62 0.76 0.22 2.33 3.08 -0.02 -2.03 114.38 119.34 1y01 h ARG 31 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1y01 h ARG 31 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1y01 h ARG 31 CO -0.02 0.59 -0.11 1.98 -1.07 0.00 0.00 179.97 181.35 1y01 h MET 32 N 0.76 -0.28 0.00 0.04 4.05 -0.88 0.90 114.93 119.52 1y01 h MET 32 Ca 0.19 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1y01 h MET 32 Cb 0.08 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1y01 h MET 32 CO -0.03 -0.16 0.00 0.74 0.23 0.00 0.00 176.91 177.70 1y01 h PHE 33 N -0.34 0.00 0.00 1.39 0.04 -0.96 0.68 116.94 117.76 1y01 h PHE 33 Ca -0.03 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.38 1y01 h PHE 33 Cb 0.26 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1y01 h PHE 33 CO -0.05 0.00 -2.03 -0.11 -0.60 0.00 0.00 178.31 175.52 1y01 n LEU 34 N -2.90 1.92 0.22 1.54 0.00 -0.80 -3.54 117.00 113.44 1y01 n LEU 34 Ca -0.02 0.37 0.11 0.00 0.00 0.00 0.00 56.01 56.48 1y01 n LEU 34 Cb 0.11 -0.87 0.39 0.00 0.00 0.00 0.00 43.42 43.05 1y01 n LEU 34 CO 0.19 0.42 0.81 0.28 0.00 0.00 0.00 177.39 179.09 1y01 h SER 35 N -1.00 0.00 -1.97 1.96 0.02 0.97 -3.30 113.55 110.23 1y01 h SER 35 Ca -0.55 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.88 1y01 h SER 35 Cb 1.47 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.60 1y01 h SER 35 CO -0.33 0.15 -0.94 0.49 -1.14 0.00 0.00 176.83 175.06 1y01 n PHE 36 N -3.22 2.10 -0.22 3.45 3.01 0.24 -4.99 117.46 117.83 1y01 n PHE 36 Ca 0.01 -3.72 -0.02 0.00 1.01 0.00 0.00 57.45 54.73 1y01 n PHE 36 Cb 0.47 -0.41 -0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1y01 n PHE 36 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1y01 n PRO 37 N -0.03 -0.17 0.26 -1.08 -0.04 -1.23 0.85 135.00 133.55 1y01 n PRO 37 Ca 0.27 0.84 0.10 0.00 -0.04 0.00 0.00 63.50 64.67 1y01 n PRO 37 Cb 0.57 -1.24 0.54 0.00 -0.04 0.00 0.00 33.50 33.33 1y01 n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y01 h THR 38 N 0.00 0.00 -0.81 0.52 1.03 -1.92 -0.11 112.91 111.62 1y01 h THR 38 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1y01 h THR 38 Cb 0.29 0.44 -0.04 0.00 -1.07 0.00 0.00 68.15 67.77 1y01 h THR 38 CO -0.54 0.00 0.51 0.74 -0.01 0.00 0.00 175.52 176.22 1y01 h THR 39 N 0.00 1.22 -0.50 0.00 2.02 0.13 -2.60 112.91 113.17 1y01 h THR 39 Ca 0.00 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.83 1y01 h THR 39 Cb 0.75 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1y01 h THR 39 CO 0.00 0.22 0.08 0.11 0.37 0.00 0.00 175.52 176.30 1y01 h LYS 40 N 1.11 0.21 -0.74 6.66 1.57 -1.19 -2.99 116.57 121.20 1y01 h LYS 40 Ca 0.29 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.27 1y01 h LYS 40 Cb -0.08 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.04 1y01 h LYS 40 CO -0.06 0.14 0.03 2.41 -0.57 0.00 0.00 179.45 181.40 1y01 n THR 41 N -5.13 -0.31 0.92 -0.16 -1.04 -0.98 0.21 114.28 107.79 1y01 n THR 41 Ca 0.06 1.63 0.04 0.00 -2.04 0.00 0.00 64.05 63.74 1y01 n THR 41 Cb 0.25 -2.38 0.26 0.00 -1.82 0.00 0.00 70.33 66.64 1y01 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1y01 n TYR 42 N -5.01 0.00 -3.59 -1.42 0.53 -1.13 -4.35 117.16 102.18 1y01 n TYR 42 Ca 0.18 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.77 1y01 n TYR 42 Cb 0.58 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.75 1y01 n TYR 42 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1y01 s PHE 43 N -2.00 0.97 -0.23 -0.72 0.08 0.55 -4.92 117.98 111.71 1y01 s PHE 43 Ca 0.13 -1.44 0.02 0.00 0.12 0.00 0.00 56.93 55.76 1y01 s PHE 43 Cb 0.06 -1.23 0.06 0.00 -0.57 0.00 0.00 43.02 41.34 1y01 s PHE 43 CO 0.10 -0.84 0.96 -0.35 -0.10 0.00 0.00 175.22 174.99 1y01 n PRO 44 N 4.69 2.22 -0.23 0.24 -0.04 -1.26 -4.52 135.00 136.09 1y01 n PRO 44 Ca 0.01 -1.42 0.08 0.00 -0.04 0.00 0.00 63.50 62.13 1y01 n PRO 44 Cb 0.40 -1.06 0.14 0.00 -0.04 0.00 0.00 33.50 32.94 1y01 n PRO 44 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1y01 n HIS 45 N -0.18 0.00 -3.93 0.54 8.25 -1.26 -5.02 115.22 113.61 1y01 n HIS 45 Ca 0.02 -0.99 -0.10 0.00 -0.26 0.00 0.00 57.72 56.40 1y01 n HIS 45 Cb 0.24 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 1y01 n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1y01 s PHE 46 N -2.63 0.19 -0.45 4.41 0.40 -1.26 -5.11 117.98 113.52 1y01 s PHE 46 Ca 0.30 -0.46 -0.28 0.00 -0.60 0.00 0.00 56.93 55.89 1y01 s PHE 46 Cb 0.27 -0.14 0.03 0.00 0.51 0.00 0.00 43.02 43.69 1y01 s PHE 46 CO 0.01 -0.32 1.09 0.34 0.70 0.00 0.00 175.22 177.03 1y01 s ASP 47 N -1.91 6.65 -0.20 1.36 3.68 -1.26 -4.86 116.67 120.13 1y01 s ASP 47 Ca -0.08 0.48 0.16 0.00 2.13 0.00 0.00 52.55 55.24 1y01 s ASP 47 Cb -0.03 -2.53 0.60 0.00 -1.45 0.00 0.00 42.92 39.51 1y01 s ASP 47 CO -0.03 -1.16 1.51 0.18 0.13 0.00 0.00 175.17 175.80 1y01 n LEU 48 N 7.57 4.36 -4.87 -1.34 4.32 -1.26 -4.41 117.00 121.37 1y01 n LEU 48 Ca 0.11 -3.02 -0.31 0.00 -0.02 0.00 0.00 56.01 52.77 1y01 n LEU 48 Cb 0.49 -0.58 0.02 0.00 -1.62 0.00 0.00 43.42 41.72 1y01 n LEU 48 CO 0.68 0.67 0.72 -0.94 -1.22 0.00 0.00 177.39 177.31 1y01 s SER 49 N -1.67 6.10 -0.20 -1.43 1.04 -1.26 -4.93 113.70 111.35 1y01 s SER 49 Ca 0.45 1.38 -0.29 0.00 0.48 0.00 0.00 55.95 57.98 1y01 s SER 49 Cb 0.36 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.05 1y01 s SER 49 CO 0.10 -0.95 1.88 -2.28 0.98 0.00 0.00 173.24 172.98 1y01 s HIS 50 N -3.21 1.64 0.00 5.02 2.46 -1.26 -0.68 115.29 119.26 1y01 s HIS 50 Ca 0.56 0.39 0.00 0.00 0.47 0.00 0.00 55.06 56.48 1y01 s HIS 50 Cb -0.11 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 1y01 s HIS 50 CO 0.54 -3.71 0.00 0.41 -2.47 0.00 0.00 174.74 169.51 1y01 n GLY 51 N 5.10 0.74 3.51 1.59 0.00 -1.26 -5.05 105.19 109.82 1y01 n GLY 51 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1y01 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y01 n SER 52 N 0.00 -0.61 0.08 1.61 3.41 0.14 -4.84 113.62 113.42 1y01 n SER 52 Ca 0.00 0.68 -0.04 0.00 -0.26 0.00 0.00 58.87 59.24 1y01 n SER 52 Cb 0.00 -1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 62.61 1y01 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y01 h ALA 53 N -0.04 0.44 -0.31 7.33 0.00 -1.90 -2.59 119.26 122.20 1y01 h ALA 53 Ca -0.46 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 53.63 1y01 h ALA 53 Cb 1.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y01 h ALA 53 CO 0.46 1.07 0.03 1.96 0.00 0.00 0.00 179.25 182.77 1y01 h GLN 54 N 0.00 0.52 -0.42 0.00 4.20 -1.89 0.42 115.11 117.95 1y01 h GLN 54 Ca -0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1y01 h GLN 54 Cb 1.66 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.36 1y01 h GLN 54 CO 0.11 0.63 0.10 0.28 -0.67 0.00 0.00 178.83 179.28 1y01 h VAL 55 N 0.34 1.23 -0.41 -0.54 2.07 -1.77 0.59 116.25 117.76 1y01 h VAL 55 Ca 0.09 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1y01 h VAL 55 Cb 0.37 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1y01 h VAL 55 CO 0.01 0.28 0.20 0.50 0.02 0.00 0.00 177.57 178.58 1y01 h LYS 56 N 0.54 0.57 -0.03 1.57 3.64 -1.17 0.18 116.57 121.86 1y01 h LYS 56 Ca 0.13 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1y01 h LYS 56 Cb 0.32 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1y01 h LYS 56 CO 0.00 0.44 -0.09 0.78 -2.27 0.00 0.00 179.45 178.31 1y01 h GLY 57 N 0.68 0.12 2.00 5.01 0.00 0.57 -2.99 103.07 108.46 1y01 h GLY 57 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1y01 h GLY 57 CO -0.02 0.14 0.00 1.57 0.00 0.00 0.00 176.54 178.23 1y01 n HIS 58 N -4.68 0.39 0.04 5.60 -0.00 0.20 -2.07 115.22 114.69 1y01 n HIS 58 Ca -0.09 0.15 -0.19 0.00 0.46 0.00 0.00 57.72 58.05 1y01 n HIS 58 Cb 0.37 -0.74 -0.14 0.00 -0.12 0.00 0.00 29.99 29.35 1y01 n HIS 58 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1y01 h GLY 59 N 2.39 0.33 1.14 1.57 0.00 -0.64 -2.46 103.07 105.40 1y01 h GLY 59 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 47.33 46.57 1y01 h GLY 59 CO 0.00 0.71 0.47 1.70 0.00 0.00 0.00 176.54 179.42 1y01 h LYS 60 N -0.39 0.80 0.54 4.80 1.63 -1.29 0.00 116.57 122.67 1y01 h LYS 60 Ca -0.12 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1y01 h LYS 60 Cb 1.56 -0.18 0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1y01 h LYS 60 CO 0.14 0.53 -0.26 0.87 -3.45 0.00 0.00 179.45 177.28 1y01 h LYS 61 N 0.83 -0.70 0.00 1.90 1.57 -1.40 -0.78 116.57 117.98 1y01 h LYS 61 Ca 0.29 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1y01 h LYS 61 Cb 0.12 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1y01 h LYS 61 CO -0.09 -0.40 -0.01 -0.24 -0.57 0.00 0.00 179.45 178.15 1y01 h VAL 62 N -0.92 0.73 0.00 0.50 3.04 -1.13 -0.26 116.25 118.22 1y01 h VAL 62 Ca -0.07 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1y01 h VAL 62 Cb 0.62 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1y01 h VAL 62 CO 0.12 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 176.69 1y01 n ALA 63 N -2.41 -0.07 -0.22 3.17 0.00 -0.04 -1.54 120.51 119.39 1y01 n ALA 63 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1y01 n ALA 63 Cb 0.09 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.66 1y01 n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y01 n ASP 64 N -1.01 -0.18 0.17 0.00 10.43 -0.32 0.18 116.55 125.82 1y01 n ASP 64 Ca 0.00 1.07 -0.11 0.00 2.57 0.00 0.00 54.79 58.32 1y01 n ASP 64 Cb 0.00 -0.34 -0.06 0.00 1.84 0.00 0.00 41.12 42.56 1y01 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1y01 h ALA 65 N 1.25 -0.99 -0.95 2.24 0.00 -1.12 -1.90 119.26 117.79 1y01 h ALA 65 Ca 0.32 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.41 1y01 h ALA 65 Cb 0.56 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1y01 h ALA 65 CO -0.63 -1.01 0.39 -0.07 0.00 0.00 0.00 179.25 177.93 1y01 h LEU 66 N -0.60 0.22 0.04 0.00 3.38 0.30 0.70 115.31 119.34 1y01 h LEU 66 Ca -0.04 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1y01 h LEU 66 Cb 0.53 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1y01 h LEU 66 CO -0.05 -0.17 -0.13 0.74 0.09 0.00 0.00 178.44 178.92 1y01 h THR 67 N 0.24 0.68 0.33 0.22 2.02 -0.43 -1.63 112.91 114.34 1y01 h THR 67 Ca 0.65 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.82 1y01 h THR 67 Cb 1.42 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1y01 h THR 67 CO -0.65 0.00 -0.42 -1.13 0.37 0.00 0.00 175.52 173.69 1y01 h ASN 68 N -0.24 -1.17 0.00 4.18 -1.24 -0.15 0.92 115.58 117.88 1y01 h ASN 68 Ca 0.03 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1y01 h ASN 68 Cb 0.28 0.40 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1y01 h ASN 68 CO -0.11 -0.52 0.61 0.00 -1.29 0.00 0.00 177.43 176.13 1y01 h ALA 69 N -0.99 1.49 0.01 1.57 0.00 -1.02 0.79 119.26 121.11 1y01 h ALA 69 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1y01 h ALA 69 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1y01 h ALA 69 CO -0.10 -0.49 -0.85 0.28 0.00 0.00 0.00 179.25 178.10 1y01 h VAL 70 N 0.00 1.22 -0.50 0.00 2.07 0.15 -3.31 116.25 115.89 1y01 h VAL 70 Ca 0.00 -2.25 0.08 0.00 0.82 0.00 0.00 66.70 65.35 1y01 h VAL 70 Cb 1.23 2.65 -0.07 0.00 -1.52 0.00 0.00 31.29 33.58 1y01 h VAL 70 CO 0.00 0.44 0.13 0.00 0.02 0.00 0.00 177.57 178.16 1y01 h ALA 71 N -0.30 0.58 -0.57 1.67 0.00 0.14 -2.54 119.26 118.24 1y01 h ALA 71 Ca -0.23 0.09 -0.43 0.00 0.00 0.00 0.00 54.91 54.34 1y01 h ALA 71 Cb 1.23 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.96 1y01 h ALA 71 CO -0.12 -0.28 0.48 0.72 0.00 0.00 0.00 179.25 180.05 1y01 n HIS 72 N -5.07 1.80 -1.68 0.00 8.25 -0.68 -5.12 115.22 112.72 1y01 n HIS 72 Ca 0.06 -2.10 -0.41 0.00 -0.26 0.00 0.00 57.72 55.00 1y01 n HIS 72 Cb 0.23 -1.15 -0.03 0.00 1.12 0.00 0.00 29.99 30.17 1y01 n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1y01 n VAL 73 N 0.33 2.76 -3.60 1.59 3.14 -0.96 -3.45 118.33 118.13 1y01 n VAL 73 Ca 0.40 -2.54 -0.22 0.00 -2.96 0.00 0.00 64.34 59.02 1y01 n VAL 73 Cb 0.57 -2.42 0.07 0.00 -1.06 0.00 0.00 33.84 31.00 1y01 n VAL 73 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1y01 n ASP 75 N 7.86 -4.23 -0.11 6.55 4.64 -1.26 -5.13 116.55 124.87 1y01 n ASP 75 Ca 0.50 -0.63 -0.16 0.00 -1.38 0.00 0.00 54.79 53.12 1y01 n ASP 75 Cb 0.41 -4.79 -0.09 0.00 -1.04 0.00 0.00 41.12 35.61 1y01 n ASP 75 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 1y01 n MET 76 N -4.61 0.51 0.00 -0.67 2.81 -1.22 -1.70 117.12 112.24 1y01 n MET 76 Ca -0.11 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1y01 n MET 76 Cb 0.60 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1y01 n MET 76 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1y01 n PRO 77 N -3.28 0.93 0.00 0.03 -0.02 -1.26 0.78 135.00 132.18 1y01 n PRO 77 Ca -0.38 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1y01 n PRO 77 Cb 0.88 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.30 1y01 n PRO 77 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y01 n ASN 78 N -0.44 0.86 -0.03 2.55 4.13 -1.26 -4.62 115.26 116.45 1y01 n ASN 78 Ca 0.00 -0.20 -0.20 0.00 1.68 0.00 0.00 54.58 55.86 1y01 n ASN 78 Cb 0.03 0.57 -0.13 0.00 -1.54 0.00 0.00 39.78 38.71 1y01 n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y01 h ALA 79 N 0.00 0.16 0.00 5.41 0.00 -0.21 -3.50 119.26 121.12 1y01 h ALA 79 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1y01 h ALA 79 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y01 h ALA 79 CO 0.00 0.63 0.00 -0.11 0.00 0.00 0.00 179.25 179.77 1y01 n LEU 80 N -4.18 0.00 0.00 0.00 0.00 0.23 -5.01 117.00 108.05 1y01 n LEU 80 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.77 1y01 n LEU 80 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.19 1y01 n LEU 80 CO 0.35 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.60 1y01 n ARG 92 N -1.11 0.00 -0.77 1.96 0.63 -1.26 -4.62 116.66 111.49 1y01 n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1y01 n ARG 92 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1y01 n ARG 92 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1y01 n VAL 93 N 0.00 -1.96 -1.54 5.15 0.31 -1.26 -4.94 118.33 114.09 1y01 n VAL 93 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.83 1y01 n VAL 93 Cb 0.00 -2.52 -0.04 0.00 -0.91 0.00 0.00 33.84 30.37 1y01 n VAL 93 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1y01 n ASP 94 N 0.00 0.75 -0.23 4.52 -0.08 -1.26 -4.87 116.55 115.39 1y01 n ASP 94 Ca 0.00 1.15 0.02 0.00 -1.51 0.00 0.00 54.79 54.44 1y01 n ASP 94 Cb 0.00 -1.14 0.14 0.00 2.34 0.00 0.00 41.12 42.46 1y01 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y01 h PRO 95 N 2.87 0.44 -0.70 -0.67 0.11 -1.95 -2.83 132.00 129.28 1y01 h PRO 95 Ca -0.42 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.87 1y01 h PRO 95 Cb 1.37 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1y01 h PRO 95 CO 0.67 0.29 0.81 0.28 -0.21 0.00 0.00 178.00 179.84 1y01 h VAL 96 N 0.45 0.18 -0.53 3.15 2.07 -2.00 0.46 116.25 120.03 1y01 h VAL 96 Ca 0.35 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.77 1y01 h VAL 96 Cb 0.45 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1y01 h VAL 96 CO -0.33 0.00 -0.05 0.78 0.02 0.00 0.00 177.57 178.00 1y01 h ASN 97 N 0.00 0.93 0.42 0.57 -0.26 -1.86 -0.34 115.58 115.05 1y01 h ASN 97 Ca 0.33 -0.27 -0.15 0.00 -0.56 0.00 0.00 56.30 55.65 1y01 h ASN 97 Cb 1.95 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.94 1y01 h ASN 97 CO -0.00 1.01 -0.63 -0.26 -1.06 0.00 0.00 177.43 176.49 1y01 h PHE 98 N 0.86 0.26 0.08 1.19 0.04 -0.29 0.44 116.94 119.53 1y01 h PHE 98 Ca 0.15 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1y01 h PHE 98 Cb 0.57 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1y01 h PHE 98 CO 0.04 0.78 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.26 1y01 h LYS 99 N 0.14 -0.11 -0.32 1.51 3.11 -1.26 -2.92 116.57 116.72 1y01 h LYS 99 Ca -0.01 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.73 1y01 h LYS 99 Cb 1.14 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1y01 h LYS 99 CO 0.10 0.31 -0.23 -0.07 -2.81 0.00 0.00 179.45 176.75 1y01 h LEU 100 N -0.55 0.63 0.08 5.20 4.07 -1.02 -2.55 115.31 121.17 1y01 h LEU 100 Ca -0.01 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 57.76 1y01 h LEU 100 Cb 0.46 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1y01 h LEU 100 CO 0.02 0.85 -0.28 0.25 -1.08 0.00 0.00 178.44 178.19 1y01 h LEU 101 N 0.55 -0.82 -0.48 1.67 5.85 -0.14 -2.03 115.31 119.91 1y01 h LEU 101 Ca 0.08 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1y01 h LEU 101 Cb 0.69 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 1y01 h LEU 101 CO 0.05 -0.36 -0.28 0.28 -0.34 0.00 0.00 178.44 177.78 1y01 h SER 102 N -0.47 -0.97 -0.54 1.25 0.02 -1.35 0.22 113.55 111.71 1y01 h SER 102 Ca 0.04 0.19 0.11 0.00 -0.84 0.00 0.00 61.79 61.29 1y01 h SER 102 Cb 0.52 0.48 -0.11 0.00 0.14 0.00 0.00 62.40 63.44 1y01 h SER 102 CO -0.19 -0.29 -0.20 -0.74 -1.14 0.00 0.00 176.83 174.27 1y01 h HIS 103 N -0.18 -0.49 -0.57 3.45 -0.00 -1.00 0.61 115.15 116.98 1y01 h HIS 103 Ca 0.21 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.57 1y01 h HIS 103 Cb 0.52 0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 1y01 h HIS 103 CO -0.54 -0.29 0.11 0.00 -0.00 0.00 0.00 177.93 177.21 1y01 h LEU 105 N 0.85 0.90 0.66 0.00 6.46 0.14 0.54 115.31 124.86 1y01 h LEU 105 Ca 0.18 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1y01 h LEU 105 Cb 0.35 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1y01 h LEU 105 CO 0.00 0.53 -0.32 0.25 -0.62 0.00 0.00 178.44 178.29 1y01 h LEU 106 N 1.01 -0.75 -1.00 2.25 5.85 -0.23 -1.73 115.31 120.71 1y01 h LEU 106 Ca 0.44 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.39 1y01 h LEU 106 Cb 0.32 0.19 -0.19 0.00 0.37 0.00 0.00 40.66 41.35 1y01 h LEU 106 CO -0.22 -0.46 -0.23 0.58 -0.34 0.00 0.00 178.44 177.76 1y01 h VAL 107 N -1.03 0.00 -0.16 1.05 2.07 -0.50 0.29 116.25 117.97 1y01 h VAL 107 Ca -0.09 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1y01 h VAL 107 Cb 0.68 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1y01 h VAL 107 CO 0.15 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.42 1y01 h THR 108 N 0.00 0.80 -0.08 2.57 2.02 0.19 -0.76 112.91 117.66 1y01 h THR 108 Ca 0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.67 1y01 h THR 108 Cb 0.76 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1y01 h THR 108 CO -1.02 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 174.85 1y01 h LEU 109 N -0.02 0.09 -2.01 2.58 3.38 0.42 -2.14 115.31 117.61 1y01 h LEU 109 Ca 0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1y01 h LEU 109 Cb 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1y01 h LEU 109 CO -0.18 0.07 0.08 0.00 0.09 0.00 0.00 178.44 178.50 1y01 h ALA 110 N 1.03 2.10 0.00 1.53 0.00 -0.74 -0.19 119.26 122.98 1y01 h ALA 110 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y01 h ALA 110 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y01 h ALA 110 CO -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 179.25 178.70 1y01 h ALA 111 N 1.94 0.78 0.00 0.00 0.00 -0.59 -2.67 119.26 118.73 1y01 h ALA 111 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y01 h ALA 111 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y01 h ALA 111 CO -0.00 0.38 -1.39 0.72 0.00 0.00 0.00 179.25 178.96 1y01 n HIS 112 N -3.13 0.07 -2.78 0.00 -0.00 -0.83 -4.48 115.22 104.06 1y01 n HIS 112 Ca 0.02 0.02 -0.14 0.00 -0.00 0.00 0.00 57.72 57.62 1y01 n HIS 112 Cb 0.66 -0.30 0.01 0.00 -0.00 0.00 0.00 29.99 30.35 1y01 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y01 n LEU 113 N -1.91 1.82 0.23 2.41 4.77 -0.14 -4.93 117.00 119.26 1y01 n LEU 113 Ca 0.00 -4.30 0.18 0.00 -0.03 0.00 0.00 56.01 51.86 1y01 n LEU 113 Cb 0.45 0.35 0.81 0.00 -2.33 0.00 0.00 43.42 42.70 1y01 n LEU 113 CO 0.43 1.86 1.15 1.55 -1.33 0.00 0.00 177.39 181.05 1y01 h PRO 114 N 2.95 0.00 0.10 3.23 0.13 -1.70 -2.16 132.00 134.55 1y01 h PRO 114 Ca 0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y01 h PRO 114 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1y01 h PRO 114 CO 0.56 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.28 1y01 h ALA 115 N 1.47 -0.13 0.00 -0.56 0.00 -1.91 -3.34 119.26 114.78 1y01 h ALA 115 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1y01 h ALA 115 Cb 0.77 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1y01 h ALA 115 CO -0.00 -0.17 -0.08 0.93 0.00 0.00 0.00 179.25 179.93 1y01 h GLU 116 N -0.95 0.00 -4.83 0.00 3.07 -1.81 -3.39 114.58 106.67 1y01 h GLU 116 Ca -0.01 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.14 1y01 h GLU 116 Cb 0.49 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.21 1y01 h GLU 116 CO 0.02 0.08 0.82 -0.06 -1.40 0.00 0.00 179.01 178.48 1y01 s PHE 117 N -4.31 3.27 0.21 4.33 0.40 -0.92 -4.83 117.98 116.12 1y01 s PHE 117 Ca -0.03 -1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 54.52 1y01 s PHE 117 Cb 0.14 -4.23 -0.08 0.00 0.51 0.00 0.00 43.02 39.36 1y01 s PHE 117 CO 0.57 -1.41 0.68 0.95 0.70 0.00 0.00 175.22 176.71 1y01 s THR 118 N 2.17 4.65 0.47 0.64 -4.23 -1.26 -4.81 115.64 113.27 1y01 s THR 118 Ca 0.32 1.14 0.07 0.00 -1.18 0.00 0.00 61.69 62.05 1y01 s THR 118 Cb -0.05 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.08 1y01 s THR 118 CO -0.08 0.20 0.82 -2.65 -0.54 0.00 0.00 174.62 172.36 1y01 n PRO 119 N 0.69 0.02 -0.07 3.99 -0.02 -1.26 0.10 135.00 138.44 1y01 n PRO 119 Ca -0.03 0.72 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1y01 n PRO 119 Cb 0.51 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1y01 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y01 h ALA 120 N 0.14 0.02 -1.01 3.55 0.00 -1.98 -3.07 119.26 116.92 1y01 h ALA 120 Ca 0.13 -0.48 0.25 0.00 0.00 0.00 0.00 54.91 54.81 1y01 h ALA 120 Cb 1.73 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 1y01 h ALA 120 CO -0.00 0.43 0.66 0.28 0.00 0.00 0.00 179.25 180.62 1y01 h VAL 121 N -1.00 0.56 0.86 0.00 2.07 -0.67 0.36 116.25 118.45 1y01 h VAL 121 Ca -0.03 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1y01 h VAL 121 Cb 0.49 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1y01 h VAL 121 CO -0.02 0.07 -0.42 -0.74 0.02 0.00 0.00 177.57 176.49 1y01 h HIS 122 N 0.37 -1.08 -0.62 1.57 6.17 -1.41 -1.47 115.15 118.68 1y01 h HIS 122 Ca 0.55 -0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.69 1y01 h HIS 122 Cb 1.45 0.36 -0.04 0.00 2.52 0.00 0.00 27.41 31.70 1y01 h HIS 122 CO -0.00 -0.66 0.41 0.00 0.71 0.00 0.00 177.93 178.39 1y01 h ALA 123 N -1.21 1.87 0.00 5.26 0.00 -0.90 0.16 119.26 124.44 1y01 h ALA 123 Ca -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1y01 h ALA 123 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1y01 h ALA 123 CO 0.19 0.01 -0.17 0.77 0.00 0.00 0.00 179.25 180.06 1y01 h SER 124 N 0.55 0.00 0.20 0.00 0.02 -0.12 -2.34 113.55 111.85 1y01 h SER 124 Ca 0.28 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.88 1y01 h SER 124 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1y01 h SER 124 CO -0.08 0.17 -1.87 -0.07 -1.14 0.00 0.00 176.83 173.84 1y01 h LEU 125 N 0.00 0.45 -0.04 5.07 -0.00 0.22 -3.06 115.31 117.96 1y01 h LEU 125 Ca -0.00 -0.86 0.04 0.00 -0.00 0.00 0.00 57.88 57.06 1y01 h LEU 125 Cb 0.54 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 1y01 h LEU 125 CO 0.02 1.75 -0.28 -0.78 -0.00 0.00 0.00 178.44 179.15 1y01 h ASP 126 N 0.08 -0.85 -0.06 -0.43 -0.00 -0.59 0.30 116.42 114.86 1y01 h ASP 126 Ca -0.38 0.12 0.04 0.00 -0.00 0.00 0.00 57.03 56.81 1y01 h ASP 126 Cb 2.05 0.35 -0.05 0.00 -0.00 0.00 0.00 39.33 41.69 1y01 h ASP 126 CO 0.12 -0.34 -0.27 0.50 -0.00 0.00 0.00 179.24 179.25 1y01 h LYS 127 N -0.41 -0.36 -0.82 0.28 3.64 -1.57 0.14 116.57 117.47 1y01 h LYS 127 Ca 0.07 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1y01 h LYS 127 Cb 0.51 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 1y01 h LYS 127 CO -0.27 -0.24 0.40 0.35 -2.27 0.00 0.00 179.45 177.42 1y01 h PHE 128 N -0.38 0.70 0.00 1.91 3.57 -1.25 -0.39 116.94 121.10 1y01 h PHE 128 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1y01 h PHE 128 Cb 0.49 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1y01 h PHE 128 CO -0.33 0.15 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.65 1y01 h LEU 129 N 0.58 0.00 -0.09 0.59 3.38 0.25 -2.51 115.31 117.50 1y01 h LEU 129 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1y01 h LEU 129 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1y01 h LEU 129 CO -0.37 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.35 1y01 n ALA 130 N -2.15 2.20 -0.11 1.53 0.00 0.42 -0.93 120.51 121.47 1y01 n ALA 130 Ca 0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1y01 n ALA 130 Cb 0.57 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1y01 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y01 n SER 131 N -2.18 1.88 -0.09 0.00 7.64 -0.76 -2.66 113.62 117.46 1y01 n SER 131 Ca 0.05 0.42 0.11 0.00 1.01 0.00 0.00 58.87 60.46 1y01 n SER 131 Cb 0.39 -0.91 0.48 0.00 -1.01 0.00 0.00 64.21 63.16 1y01 n SER 131 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y01 h VAL 132 N -1.00 0.92 -0.16 0.44 2.07 -1.49 0.68 116.25 117.70 1y01 h VAL 132 Ca -0.39 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1y01 h VAL 132 Cb 1.29 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1y01 h VAL 132 CO -0.23 0.08 0.09 -1.28 0.02 0.00 0.00 177.57 176.25 1y01 h SER 133 N 0.46 0.20 -0.18 0.57 0.87 -1.16 -2.93 113.55 111.38 1y01 h SER 133 Ca 0.28 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1y01 h SER 133 Cb 0.49 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1y01 h SER 133 CO -0.08 0.22 -0.13 0.74 -0.53 0.00 0.00 176.83 177.04 1y01 h THR 134 N 0.16 1.33 0.00 2.23 2.02 0.29 -1.98 112.91 116.95 1y01 h THR 134 Ca 0.06 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1y01 h THR 134 Cb 0.06 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1y01 h THR 134 CO -0.01 0.37 0.12 0.58 0.37 0.00 0.00 175.52 176.95 1y01 h VAL 135 N 0.07 0.00 0.00 3.16 2.07 0.00 1.77 116.25 123.33 1y01 h VAL 135 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1y01 h VAL 135 Cb 0.64 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1y01 h VAL 135 CO 0.04 0.00 -0.65 -0.07 0.02 0.00 0.00 177.57 176.91 1y01 h LEU 136 N 0.00 0.00 -0.85 2.57 3.38 -1.28 -3.37 115.31 115.76 1y01 h LEU 136 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1y01 h LEU 136 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1y01 h LEU 136 CO 0.00 1.00 -0.02 0.35 0.09 0.00 0.00 178.44 179.86 1y01 n THR 137 N -4.57 0.00 0.38 0.22 -2.24 -0.78 -2.52 114.28 104.77 1y01 n THR 137 Ca -0.15 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1y01 n THR 137 Cb 0.40 0.41 0.30 0.00 -2.10 0.00 0.00 70.33 69.33 1y01 n THR 137 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1y01 h SER 138 N 2.07 0.00 0.00 3.42 0.87 0.25 -3.49 113.55 116.66 1y01 h SER 138 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1y01 h SER 138 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1y01 h SER 138 CO 0.00 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.47