#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0t s LEU 2 N 0.00 4.29 0.63 7.52 1.43 -1.26 -5.06 118.68 126.23 1y0t s LEU 2 Ca 0.00 1.36 -0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1y0t s LEU 2 Cb 0.00 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.93 1y0t s LEU 2 CO 0.00 -0.26 0.94 -0.94 0.23 0.00 0.00 176.35 176.33 1y0t s SER 3 N 0.97 5.40 0.20 2.29 1.04 -1.26 -4.87 113.70 117.47 1y0t s SER 3 Ca 0.43 0.68 -0.12 0.00 0.48 0.00 0.00 55.95 57.43 1y0t s SER 3 Cb -0.19 -1.58 0.23 0.00 0.10 0.00 0.00 66.02 64.59 1y0t s SER 3 CO 0.20 -1.21 1.70 -0.65 0.98 0.00 0.00 173.24 174.26 1y0t h PRO 4 N -0.31 0.21 -0.29 4.02 0.11 -1.99 0.22 132.00 133.97 1y0t h PRO 4 Ca -0.45 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1y0t h PRO 4 Cb 1.27 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1y0t h PRO 4 CO 0.61 0.14 -0.16 0.00 -0.21 0.00 0.00 178.00 178.38 1y0t h ALA 5 N 1.44 0.07 -0.24 -0.75 0.00 -1.99 0.86 119.26 118.64 1y0t h ALA 5 Ca 0.28 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.35 1y0t h ALA 5 Cb 0.40 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1y0t h ALA 5 CO -0.38 -0.55 -0.08 -0.44 0.00 0.00 0.00 179.25 177.80 1y0t h ASP 6 N -0.12 -0.29 -0.74 0.00 3.32 -1.61 0.49 116.42 117.47 1y0t h ASP 6 Ca 0.15 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1y0t h ASP 6 Cb 0.36 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1y0t h ASP 6 CO -0.37 -0.11 0.45 0.11 -1.72 0.00 0.00 179.24 177.60 1y0t h LYS 7 N -0.03 0.81 -0.60 3.56 1.57 0.32 0.17 116.57 122.37 1y0t h LYS 7 Ca 0.12 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1y0t h LYS 7 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1y0t h LYS 7 CO -0.27 0.54 0.17 1.15 -0.57 0.00 0.00 179.45 180.46 1y0t h THR 8 N 0.84 1.25 -0.19 -0.16 2.02 -0.55 -1.33 112.91 114.78 1y0t h THR 8 Ca 0.32 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1y0t h THR 8 Cb 0.13 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1y0t h THR 8 CO -0.16 0.33 0.12 0.78 0.37 0.00 0.00 175.52 176.96 1y0t h ASN 9 N 0.86 0.23 -0.48 4.18 -0.26 0.21 -1.39 115.58 118.93 1y0t h ASN 9 Ca 0.19 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 1y0t h ASN 9 Cb 0.32 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1y0t h ASN 9 CO -0.00 0.20 0.11 0.58 -1.06 0.00 0.00 177.43 177.25 1y0t h VAL 10 N 0.24 1.24 -0.36 2.81 2.07 -0.59 -0.43 116.25 121.23 1y0t h VAL 10 Ca 0.07 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1y0t h VAL 10 Cb 0.01 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1y0t h VAL 10 CO -0.01 0.30 -0.08 0.11 0.02 0.00 0.00 177.57 177.91 1y0t h LYS 11 N 0.66 0.61 0.30 1.57 1.57 -1.13 0.11 116.57 120.26 1y0t h LYS 11 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1y0t h LYS 11 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1y0t h LYS 11 CO 0.00 0.69 -0.14 0.00 -0.57 0.00 0.00 179.45 179.43 1y0t h ALA 12 N 1.35 -0.41 -0.45 3.86 0.00 -1.07 0.19 119.26 122.74 1y0t h ALA 12 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1y0t h ALA 12 Cb 0.48 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1y0t h ALA 12 CO 0.03 -0.51 0.18 0.00 0.00 0.00 0.00 179.25 178.95 1y0t h ALA 13 N -0.37 0.58 -0.09 0.00 0.00 -1.02 -1.63 119.26 116.73 1y0t h ALA 13 Ca -0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1y0t h ALA 13 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y0t h ALA 13 CO 0.07 0.19 -0.24 2.35 0.00 0.00 0.00 179.25 181.61 1y0t h TRP 14 N 0.58 0.17 -0.54 0.00 2.91 -1.04 -2.42 115.95 115.61 1y0t h TRP 14 Ca 0.15 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.21 1y0t h TRP 14 Cb 0.19 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 1y0t h TRP 14 CO 0.00 0.40 0.23 0.78 -1.03 0.00 0.00 178.44 178.82 1y0t h GLY 15 N 0.89 0.74 1.67 2.65 0.00 0.33 -1.39 103.07 107.96 1y0t h GLY 15 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1y0t h GLY 15 CO 0.04 0.05 -0.15 0.50 0.00 0.00 0.00 176.54 176.97 1y0t h LYS 16 N 0.44 0.40 -0.36 4.80 1.79 -0.95 -2.67 116.57 120.02 1y0t h LYS 16 Ca 0.25 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1y0t h LYS 16 Cb 0.24 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 1y0t h LYS 16 CO -0.22 0.55 0.07 0.28 -1.08 0.00 0.00 179.45 179.04 1y0t h VAL 17 N 0.37 0.81 0.00 0.50 2.07 -0.93 -3.45 116.25 115.62 1y0t h VAL 17 Ca 0.07 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y0t h VAL 17 Cb 0.49 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1y0t h VAL 17 CO 0.03 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1y0t n GLY 18 N -1.24 3.28 0.00 2.17 0.00 -1.01 -1.55 105.19 106.85 1y0t n GLY 18 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1y0t n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0t n ALA 19 N 10.40 1.96 1.02 4.61 0.00 -1.26 -3.04 120.51 134.20 1y0t n ALA 19 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1y0t n ALA 19 Cb 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1y0t n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0t n HIS 20 N -1.18 0.00 -0.24 0.00 8.25 -0.59 -4.51 115.22 116.95 1y0t n HIS 20 Ca 0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1y0t n HIS 20 Cb 0.10 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.26 1y0t n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y0t h ALA 21 N 3.89 0.30 -0.30 -1.41 0.00 -1.67 0.54 119.26 120.62 1y0t h ALA 21 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1y0t h ALA 21 Cb 0.74 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1y0t h ALA 21 CO 0.00 -0.51 -0.31 0.78 0.00 0.00 0.00 179.25 179.22 1y0t h GLY 22 N -0.05 -0.27 1.37 0.00 0.00 -1.85 0.29 103.07 102.56 1y0t h GLY 22 Ca 0.31 0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.95 1y0t h GLY 22 CO -0.74 -0.21 -0.03 -2.09 0.00 0.00 0.00 176.54 173.48 1y0t h GLU 23 N -0.28 0.77 0.00 4.80 4.81 -1.60 -1.94 114.58 121.14 1y0t h GLU 23 Ca 0.15 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1y0t h GLU 23 Cb 0.52 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1y0t h GLU 23 CO -0.46 0.80 -0.53 1.88 -0.73 0.00 0.00 179.01 179.96 1y0t h TYR 24 N 0.71 0.00 -0.24 0.92 0.99 -0.16 -1.28 116.97 117.92 1y0t h TYR 24 Ca 0.14 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.79 1y0t h TYR 24 Cb 0.48 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.20 1y0t h TYR 24 CO 0.02 0.53 -0.15 0.78 -0.00 0.00 0.00 178.16 179.34 1y0t h GLY 25 N 1.92 0.57 0.96 3.88 0.00 0.07 -1.45 103.07 109.01 1y0t h GLY 25 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1y0t h GLY 25 CO 0.07 0.49 0.19 0.00 0.00 0.00 0.00 176.54 177.29 1y0t h ALA 26 N 0.70 0.59 -0.61 3.60 0.00 -1.20 -2.40 119.26 119.94 1y0t h ALA 26 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1y0t h ALA 26 Cb 0.68 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1y0t h ALA 26 CO 0.04 0.19 0.22 1.49 0.00 0.00 0.00 179.25 181.19 1y0t h GLU 27 N 0.59 0.93 -0.77 0.00 4.81 -1.20 -1.24 114.58 117.70 1y0t h GLU 27 Ca 0.15 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1y0t h GLU 27 Cb 0.18 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1y0t h GLU 27 CO -0.01 0.80 0.48 0.00 -0.73 0.00 0.00 179.01 179.55 1y0t h ALA 28 N 1.08 1.40 0.22 2.92 0.00 -1.11 0.05 119.26 123.82 1y0t h ALA 28 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1y0t h ALA 28 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y0t h ALA 28 CO -0.01 0.53 -0.11 -0.07 0.00 0.00 0.00 179.25 179.59 1y0t h LEU 29 N 1.05 -0.25 -0.69 0.00 3.38 -0.95 -1.27 115.31 116.59 1y0t h LEU 29 Ca 0.28 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1y0t h LEU 29 Cb -0.07 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1y0t h LEU 29 CO -0.06 0.01 0.38 -0.08 0.09 0.00 0.00 178.44 178.79 1y0t h GLU 30 N -0.52 0.68 -0.92 1.13 4.81 -0.94 0.11 114.58 118.93 1y0t h GLU 30 Ca -0.03 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1y0t h GLU 30 Cb 0.39 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1y0t h GLU 30 CO 0.05 0.45 0.59 0.00 -0.73 0.00 0.00 179.01 179.37 1y0t h ARG 31 N 0.70 1.09 -0.57 1.92 3.08 -0.84 -1.61 114.38 118.16 1y0t h ARG 31 Ca 0.31 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 1y0t h ARG 31 Cb 0.20 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1y0t h ARG 31 CO -0.19 0.72 -0.06 1.98 -1.07 0.00 0.00 179.97 181.35 1y0t h MET 32 N 1.12 1.05 -0.66 0.04 4.05 0.19 -0.50 114.93 120.22 1y0t h MET 32 Ca 0.38 -0.36 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1y0t h MET 32 Cb 0.07 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1y0t h MET 32 CO -0.14 1.06 0.20 0.74 0.23 0.00 0.00 176.91 179.00 1y0t h PHE 33 N 0.93 1.07 -0.11 1.39 0.04 -0.44 0.12 116.94 119.95 1y0t h PHE 33 Ca 0.15 -0.11 -0.19 0.00 2.80 0.00 0.00 57.97 60.62 1y0t h PHE 33 Cb 0.63 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1y0t h PHE 33 CO 0.04 0.87 -0.66 -0.07 -0.60 0.00 0.00 178.31 177.89 1y0t h LEU 34 N 0.96 0.77 0.01 1.54 3.38 -1.19 -3.19 115.31 117.60 1y0t h LEU 34 Ca 0.21 -0.65 -0.27 0.00 0.09 0.00 0.00 57.88 57.26 1y0t h LEU 34 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1y0t h LEU 34 CO -0.00 1.30 -1.45 0.28 0.09 0.00 0.00 178.44 178.65 1y0t h SER 35 N 0.30 0.04 -2.54 -0.43 0.02 -1.08 -3.41 113.55 106.45 1y0t h SER 35 Ca -0.05 -0.07 -0.60 0.00 -0.84 0.00 0.00 61.79 60.23 1y0t h SER 35 Cb 1.30 -0.01 -0.39 0.00 0.14 0.00 0.00 62.40 63.44 1y0t h SER 35 CO 0.14 1.06 -0.86 0.49 -1.14 0.00 0.00 176.83 176.52 1y0t n PHE 36 N -3.20 0.48 0.32 3.45 3.01 0.43 -4.98 117.46 116.99 1y0t n PHE 36 Ca -0.11 -3.65 0.20 0.00 1.01 0.00 0.00 57.45 54.91 1y0t n PHE 36 Cb 1.01 -0.06 1.09 0.00 -0.01 0.00 0.00 39.48 41.51 1y0t n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y0t h PRO 37 N 5.39 0.00 0.00 -1.08 0.11 -1.70 -1.85 132.00 132.87 1y0t h PRO 37 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1y0t h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1y0t h PRO 37 CO 0.49 0.00 -0.09 1.79 -0.21 0.00 0.00 178.00 179.98 1y0t h THR 38 N 0.00 0.36 0.00 -1.15 1.35 -1.90 -2.53 112.91 109.04 1y0t h THR 38 Ca 0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1y0t h THR 38 Cb 0.16 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1y0t h THR 38 CO -0.00 0.09 0.00 0.71 -0.25 0.00 0.00 175.52 176.07 1y0t h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.65 -2.78 112.91 116.64 1y0t h THR 39 Ca -0.00 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1y0t h THR 39 Cb 0.39 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1y0t h THR 39 CO 0.01 0.00 -0.08 0.11 -0.25 0.00 0.00 175.52 175.31 1y0t h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.64 -2.76 116.57 118.45 1y0t h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0t h LYS 40 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y0t h LYS 40 CO 0.00 0.08 0.00 1.79 -0.57 0.00 0.00 179.45 180.75 1y0t h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.68 0.07 112.91 112.49 1y0t h THR 41 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1y0t h THR 41 Cb 0.40 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1y0t h THR 41 CO 0.01 0.00 -0.40 -1.22 -0.25 0.00 0.00 175.52 173.66 1y0t n TYR 42 N -2.53 0.00 -2.56 4.73 4.01 -1.04 -4.28 117.16 115.50 1y0t n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1y0t n TYR 42 Cb 0.06 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1y0t n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0t n PHE 43 N -0.88 2.30 0.27 -0.72 3.01 0.01 -4.84 117.46 116.61 1y0t n PHE 43 Ca 0.09 -2.90 0.12 0.00 1.01 0.00 0.00 57.45 55.78 1y0t n PHE 43 Cb 0.36 -0.23 0.78 0.00 -0.01 0.00 0.00 39.48 40.37 1y0t n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0t h PRO 44 N 2.75 0.00 -0.01 -1.08 0.13 -1.74 -1.93 132.00 130.13 1y0t h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y0t h PRO 44 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1y0t h PRO 44 CO 0.66 0.07 -0.08 -2.39 -0.23 0.00 0.00 178.00 176.04 1y0t n HIS 45 N -3.88 0.00 -3.90 1.56 1.44 -1.26 -4.90 115.22 104.28 1y0t n HIS 45 Ca -0.02 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 1y0t n HIS 45 Cb 0.16 -0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.17 1y0t n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0t s PHE 46 N -2.21 3.49 -0.47 -1.40 0.40 -0.73 -5.06 117.98 112.01 1y0t s PHE 46 Ca 0.35 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.64 1y0t s PHE 46 Cb 0.21 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1y0t s PHE 46 CO 0.41 0.52 0.81 0.34 0.70 0.00 0.00 175.22 178.00 1y0t s ASP 47 N -3.01 6.39 -0.12 1.36 2.15 -1.26 -4.90 116.67 117.28 1y0t s ASP 47 Ca 0.35 -0.21 0.15 0.00 0.43 0.00 0.00 52.55 53.27 1y0t s ASP 47 Cb -0.12 -2.39 0.64 0.00 -0.30 0.00 0.00 42.92 40.75 1y0t s ASP 47 CO 0.28 -0.98 1.52 0.18 -0.17 0.00 0.00 175.17 176.00 1y0t n LEU 48 N 6.84 4.36 -4.77 -1.34 4.77 -1.26 -4.48 117.00 121.12 1y0t n LEU 48 Ca 0.02 -2.20 -0.33 0.00 -0.03 0.00 0.00 56.01 53.47 1y0t n LEU 48 Cb 0.48 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1y0t n LEU 48 CO 0.60 0.68 0.74 -0.94 -1.33 0.00 0.00 177.39 177.14 1y0t s SER 49 N -0.80 4.98 -0.06 -1.43 1.04 -1.26 -4.90 113.70 111.28 1y0t s SER 49 Ca 0.45 2.02 -0.33 0.00 0.48 0.00 0.00 55.95 58.57 1y0t s SER 49 Cb 0.30 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.76 1y0t s SER 49 CO 0.20 -1.72 1.92 1.57 0.98 0.00 0.00 173.24 176.20 1y0t n HIS 50 N -2.51 2.37 -0.73 5.02 -0.00 -1.26 -0.88 115.22 117.23 1y0t n HIS 50 Ca 0.11 -0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1y0t n HIS 50 Cb 0.52 -2.71 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 1y0t n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y0t n GLY 51 N 4.52 0.56 3.73 1.57 0.00 -1.26 -5.01 105.19 109.30 1y0t n GLY 51 Ca 0.22 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1y0t n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y0t s SER 52 N -2.64 6.51 0.37 1.61 0.15 -0.06 -4.88 113.70 114.76 1y0t s SER 52 Ca 0.00 2.74 0.17 0.00 0.70 0.00 0.00 55.95 59.55 1y0t s SER 52 Cb 0.00 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.41 1y0t s SER 52 CO 0.00 -0.85 1.77 0.00 1.20 0.00 0.00 173.24 175.35 1y0t h ALA 53 N 6.22 1.11 -0.52 5.45 0.00 -1.89 -1.26 119.26 128.37 1y0t h ALA 53 Ca -0.44 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1y0t h ALA 53 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1y0t h ALA 53 CO 0.88 0.49 -0.03 1.96 0.00 0.00 0.00 179.25 182.55 1y0t h GLN 54 N 0.00 0.93 -0.38 0.00 4.20 -1.90 0.35 115.11 118.32 1y0t h GLN 54 Ca -0.00 -0.31 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 1y0t h GLN 54 Cb 0.82 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1y0t h GLN 54 CO 0.05 0.97 -0.24 0.28 -0.67 0.00 0.00 178.83 179.22 1y0t h VAL 55 N 0.80 1.28 -0.10 -0.54 2.07 -1.70 0.27 116.25 118.32 1y0t h VAL 55 Ca 0.14 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.28 1y0t h VAL 55 Cb 0.57 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1y0t h VAL 55 CO 0.03 0.46 0.03 0.11 0.02 0.00 0.00 177.57 178.23 1y0t h LYS 56 N 0.63 0.08 -0.63 1.57 1.79 -1.02 0.52 116.57 119.50 1y0t h LYS 56 Ca 0.08 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1y0t h LYS 56 Cb 0.81 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.40 1y0t h LYS 56 CO 0.07 0.05 0.38 0.78 -1.08 0.00 0.00 179.45 179.65 1y0t h GLY 57 N 0.08 0.91 1.02 3.86 0.00 -0.16 -2.27 103.07 106.51 1y0t h GLY 57 Ca 0.04 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1y0t h GLY 57 CO -0.05 0.23 -0.56 0.84 0.00 0.00 0.00 176.54 177.00 1y0t h HIS 58 N 0.74 0.90 -0.87 5.60 -0.00 -0.56 -2.87 115.15 118.10 1y0t h HIS 58 Ca 0.26 -0.37 0.08 0.00 -0.00 0.00 0.00 60.37 60.35 1y0t h HIS 58 Cb 0.05 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.25 1y0t h HIS 58 CO -0.06 1.17 0.56 0.78 -0.00 0.00 0.00 177.93 180.38 1y0t h GLY 59 N 0.39 1.24 0.91 5.26 0.00 0.28 -1.28 103.07 109.86 1y0t h GLY 59 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1y0t h GLY 59 CO 0.12 0.23 0.08 1.70 0.00 0.00 0.00 176.54 178.66 1y0t h LYS 60 N 0.89 0.57 -0.66 4.80 3.64 -1.38 -1.25 116.57 123.18 1y0t h LYS 60 Ca 0.39 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1y0t h LYS 60 Cb 0.34 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1y0t h LYS 60 CO -0.16 0.62 0.44 0.87 -2.27 0.00 0.00 179.45 178.95 1y0t h LYS 61 N 0.42 0.86 -0.41 1.90 1.57 -1.07 0.95 116.57 120.78 1y0t h LYS 61 Ca 0.11 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1y0t h LYS 61 Cb 0.32 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1y0t h LYS 61 CO 0.00 0.57 0.06 0.28 -0.57 0.00 0.00 179.45 179.79 1y0t h VAL 62 N 0.89 1.24 -0.47 0.50 2.07 -1.15 -2.39 116.25 116.94 1y0t h VAL 62 Ca 0.25 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1y0t h VAL 62 Cb -0.09 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1y0t h VAL 62 CO -0.06 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.07 1y0t h ALA 63 N 0.93 0.60 -0.97 1.67 0.00 -0.87 -0.97 119.26 119.65 1y0t h ALA 63 Ca 0.12 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1y0t h ALA 63 Cb 0.38 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1y0t h ALA 63 CO 0.01 0.15 0.63 -0.44 0.00 0.00 0.00 179.25 179.60 1y0t h ASP 64 N 0.61 1.00 -0.42 0.00 3.32 -0.69 0.16 116.42 120.40 1y0t h ASP 64 Ca 0.16 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1y0t h ASP 64 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1y0t h ASP 64 CO -0.02 0.64 -0.28 0.00 -1.72 0.00 0.00 179.24 177.86 1y0t h ALA 65 N 1.47 0.67 -0.40 3.45 0.00 -0.89 0.72 119.26 124.30 1y0t h ALA 65 Ca 0.41 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y0t h ALA 65 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y0t h ALA 65 CO -0.16 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.65 1y0t h LEU 66 N 0.81 0.73 -1.21 0.00 3.38 -0.18 -0.95 115.31 117.89 1y0t h LEU 66 Ca 0.09 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1y0t h LEU 66 Cb 0.86 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1y0t h LEU 66 CO 0.08 0.89 0.55 0.74 0.09 0.00 0.00 178.44 180.79 1y0t h THR 67 N 0.55 1.12 -0.16 0.22 2.02 -0.56 -0.85 112.91 115.25 1y0t h THR 67 Ca 0.11 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 1y0t h THR 67 Cb 0.54 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1y0t h THR 67 CO 0.03 0.19 -0.45 -1.13 0.37 0.00 0.00 175.52 174.53 1y0t h ASN 68 N 1.02 0.42 0.34 4.18 -1.24 -0.46 -1.95 115.58 117.89 1y0t h ASN 68 Ca 0.34 -0.19 -0.15 0.00 0.71 0.00 0.00 56.30 57.01 1y0t h ASN 68 Cb 0.07 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1y0t h ASN 68 CO -0.10 0.81 -0.60 0.00 -1.29 0.00 0.00 177.43 176.25 1y0t h ALA 69 N 1.21 0.84 -0.44 1.57 0.00 -0.13 -2.52 119.26 119.80 1y0t h ALA 69 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1y0t h ALA 69 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1y0t h ALA 69 CO 0.08 0.72 -0.09 0.28 0.00 0.00 0.00 179.25 180.24 1y0t h VAL 70 N 0.19 1.27 0.00 0.00 2.07 -1.00 -1.06 116.25 117.72 1y0t h VAL 70 Ca -0.01 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1y0t h VAL 70 Cb 1.11 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1y0t h VAL 70 CO 0.09 0.41 -0.08 0.00 0.02 0.00 0.00 177.57 178.01 1y0t h ALA 71 N 0.87 1.38 -0.47 1.67 0.00 -1.22 -2.85 119.26 118.64 1y0t h ALA 71 Ca 0.11 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 1y0t h ALA 71 Cb 0.63 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.08 1y0t h ALA 71 CO 0.04 0.10 -0.81 0.72 0.00 0.00 0.00 179.25 179.29 1y0t n HIS 72 N -3.73 1.65 -0.01 0.00 8.25 -0.96 -4.85 115.22 115.58 1y0t n HIS 72 Ca -0.02 -1.91 0.23 0.00 -0.26 0.00 0.00 57.72 55.76 1y0t n HIS 72 Cb 0.18 -0.29 0.67 0.00 1.12 0.00 0.00 29.99 31.68 1y0t n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0t h VAL 73 N 2.86 0.28 -0.21 1.59 3.04 -0.94 0.65 116.25 123.51 1y0t h VAL 73 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1y0t h VAL 73 Cb 1.40 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1y0t h VAL 73 CO 0.44 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.47 1y0t n ASP 74 N -3.62 2.31 -2.71 3.17 8.00 -1.26 -4.42 116.55 118.01 1y0t n ASP 74 Ca 0.12 -1.80 -0.05 0.00 0.71 0.00 0.00 54.79 53.77 1y0t n ASP 74 Cb 0.88 -0.13 0.10 0.00 -0.02 0.00 0.00 41.12 41.95 1y0t n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y0t n ASP 75 N 0.75 -0.64 -0.24 -2.24 2.03 0.22 -4.99 116.55 111.44 1y0t n ASP 75 Ca 0.17 -2.36 -0.04 0.00 0.52 0.00 0.00 54.79 53.08 1y0t n ASP 75 Cb 0.44 0.41 0.06 0.00 -0.72 0.00 0.00 41.12 41.31 1y0t n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0t h MET 76 N 1.96 0.84 -0.85 -0.67 2.86 -1.67 0.33 114.93 117.73 1y0t h MET 76 Ca -0.28 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1y0t h MET 76 Cb 1.27 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 1y0t h MET 76 CO 0.03 0.56 0.48 -1.35 1.06 0.00 0.00 176.91 177.69 1y0t h PRO 77 N 0.87 0.75 0.08 -0.22 0.11 -1.94 0.49 132.00 132.14 1y0t h PRO 77 Ca 0.26 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1y0t h PRO 77 Cb -0.04 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 30.92 1y0t h PRO 77 CO -0.08 0.49 -0.52 -0.91 -0.21 0.00 0.00 178.00 176.77 1y0t h ASN 78 N 0.77 0.32 -0.14 -2.05 2.35 -1.88 -1.92 115.58 113.03 1y0t h ASN 78 Ca 0.43 -0.95 0.04 0.00 -0.55 0.00 0.00 56.30 55.27 1y0t h ASN 78 Cb 0.46 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1y0t h ASN 78 CO -0.28 1.24 0.10 0.00 -1.65 0.00 0.00 177.43 176.84 1y0t h ALA 79 N 0.08 2.10 -0.12 -0.83 0.00 0.14 -2.87 119.26 117.76 1y0t h ALA 79 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0t h ALA 79 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1y0t h ALA 79 CO 0.10 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1y0t n LEU 80 N -4.45 2.62 -0.30 0.00 4.77 0.17 -4.74 117.00 115.06 1y0t n LEU 80 Ca 0.00 -1.19 -0.01 0.00 -0.03 0.00 0.00 56.01 54.78 1y0t n LEU 80 Cb 0.22 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1y0t n LEU 80 CO 0.34 0.51 0.46 -1.20 -1.33 0.00 0.00 177.39 176.17 1y0t n SER 81 N 0.98 -0.51 -0.26 -1.43 7.64 -0.72 -1.24 113.62 118.08 1y0t n SER 81 Ca 0.12 1.37 -0.02 0.00 1.01 0.00 0.00 58.87 61.35 1y0t n SER 81 Cb 0.45 -0.31 0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1y0t n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y0t h ALA 82 N 1.08 0.99 -0.01 -0.43 0.00 -1.85 -1.12 119.26 117.92 1y0t h ALA 82 Ca 0.27 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1y0t h ALA 82 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1y0t h ALA 82 CO -0.78 0.21 -0.71 1.25 0.00 0.00 0.00 179.25 179.22 1y0t h LEU 83 N 0.87 0.07 -0.69 0.00 5.85 -1.54 -2.11 115.31 117.75 1y0t h LEU 83 Ca 0.31 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1y0t h LEU 83 Cb 0.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1y0t h LEU 83 CO -0.14 0.76 -0.31 -1.28 -0.34 0.00 0.00 178.44 177.12 1y0t h SER 84 N 0.04 0.68 -0.03 1.25 0.87 -0.50 -2.44 113.55 113.43 1y0t h SER 84 Ca -0.01 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1y0t h SER 84 Cb 1.25 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1y0t h SER 84 CO 0.10 0.95 -0.03 0.44 -0.53 0.00 0.00 176.83 177.76 1y0t h ASP 85 N 0.56 0.08 -0.45 6.23 3.32 -1.14 -2.55 116.42 122.47 1y0t h ASP 85 Ca 0.06 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.67 1y0t h ASP 85 Cb 0.82 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1y0t h ASP 85 CO 0.07 0.56 0.18 0.25 -1.72 0.00 0.00 179.24 178.58 1y0t h LEU 86 N -0.41 0.22 -0.24 1.55 5.85 -1.35 -0.73 115.31 120.19 1y0t h LEU 86 Ca 0.00 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1y0t h LEU 86 Cb 0.54 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1y0t h LEU 86 CO 0.01 0.16 -0.19 0.45 -0.34 0.00 0.00 178.44 178.53 1y0t h HIS 87 N 0.37 0.65 -0.54 1.25 3.86 -1.52 0.79 115.15 120.01 1y0t h HIS 87 Ca 0.21 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1y0t h HIS 87 Cb 0.18 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1y0t h HIS 87 CO -0.14 0.86 -0.09 0.00 0.86 0.00 0.00 177.93 179.42 1y0t h ALA 88 N 0.69 0.74 0.00 2.45 0.00 -1.33 0.38 119.26 122.19 1y0t h ALA 88 Ca 0.04 -0.34 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 1y0t h ALA 88 Cb 0.72 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1y0t h ALA 88 CO 0.05 0.65 -2.38 0.72 0.00 0.00 0.00 179.25 178.28 1y0t n HIS 89 N -4.17 0.00 -0.02 0.00 8.25 -0.29 -4.57 115.22 114.42 1y0t n HIS 89 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1y0t n HIS 89 Cb 0.39 -0.97 -0.01 0.00 1.12 0.00 0.00 29.99 30.52 1y0t n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0t n LYS 90 N -2.93 0.17 -0.14 -0.41 4.81 0.14 -4.79 118.16 115.01 1y0t n LYS 90 Ca -0.37 0.07 -0.08 0.00 -0.87 0.00 0.00 58.31 57.06 1y0t n LYS 90 Cb 1.07 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 35.41 1y0t n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0t h LEU 91 N -0.32 0.51 -1.70 3.14 3.38 -1.31 -3.47 115.31 115.53 1y0t h LEU 91 Ca 0.00 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.42 1y0t h LEU 91 Cb 0.32 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1y0t h LEU 91 CO 0.00 0.43 -0.86 0.54 0.09 0.00 0.00 178.44 178.64 1y0t n ARG 92 N -4.74 -3.83 -2.13 1.13 1.74 0.13 -4.92 116.66 104.04 1y0t n ARG 92 Ca 0.01 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 1y0t n ARG 92 Cb 0.06 -4.82 -0.03 0.00 -1.02 0.00 0.00 32.46 26.65 1y0t n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0t s VAL 93 N -3.76 3.10 0.31 1.55 1.01 -1.25 -4.95 120.40 116.40 1y0t s VAL 93 Ca 0.15 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.67 1y0t s VAL 93 Cb -0.08 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1y0t s VAL 93 CO 0.87 0.09 1.48 -0.62 0.00 0.00 0.00 175.10 176.92 1y0t s ASP 94 N 0.84 6.50 0.44 3.32 2.15 -1.26 -4.86 116.67 123.80 1y0t s ASP 94 Ca 0.63 2.86 0.23 0.00 0.43 0.00 0.00 52.55 56.69 1y0t s ASP 94 Cb -0.38 -2.64 1.22 0.00 -0.30 0.00 0.00 42.92 40.81 1y0t s ASP 94 CO 0.34 -0.79 1.80 -0.65 -0.17 0.00 0.00 175.17 175.70 1y0t h PRO 95 N 4.20 0.28 0.00 4.34 0.11 -2.00 -1.87 132.00 137.06 1y0t h PRO 95 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1y0t h PRO 95 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y0t h PRO 95 CO 0.73 0.18 -0.02 -0.39 -0.21 0.00 0.00 178.00 178.29 1y0t h VAL 96 N 0.29 0.51 0.00 3.15 -1.51 -2.03 -2.35 116.25 114.31 1y0t h VAL 96 Ca 0.56 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.94 1y0t h VAL 96 Cb 1.63 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1y0t h VAL 96 CO -0.20 0.02 0.00 0.78 -1.23 0.00 0.00 177.57 176.94 1y0t h ASN 97 N 0.00 0.00 -0.46 4.19 4.21 -1.70 -3.11 115.58 118.70 1y0t h ASN 97 Ca -0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 1y0t h ASN 97 Cb 0.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1y0t h ASN 97 CO 0.00 0.00 -0.23 -0.26 -1.29 0.00 0.00 177.43 175.66 1y0t h PHE 98 N 0.00 1.12 -0.14 1.19 0.04 -1.61 -2.67 116.94 114.87 1y0t h PHE 98 Ca 0.00 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.44 1y0t h PHE 98 Cb 0.47 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1y0t h PHE 98 CO 0.00 1.10 -0.12 1.57 -0.60 0.00 0.00 178.31 180.26 1y0t h LYS 99 N 0.82 0.22 -0.22 1.51 2.10 -1.71 0.18 116.57 119.47 1y0t h LYS 99 Ca 0.10 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.59 1y0t h LYS 99 Cb 0.81 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1y0t h LYS 99 CO 0.07 0.35 -0.30 -0.07 -2.00 0.00 0.00 179.45 177.50 1y0t h LEU 100 N 0.21 0.65 -0.12 7.07 3.38 -1.61 -1.51 115.31 123.38 1y0t h LEU 100 Ca 0.04 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1y0t h LEU 100 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1y0t h LEU 100 CO 0.02 1.03 -0.22 0.25 0.09 0.00 0.00 178.44 179.61 1y0t h LEU 101 N 0.28 0.40 -0.48 1.67 5.85 -1.17 -2.21 115.31 119.65 1y0t h LEU 101 Ca 0.02 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.29 1y0t h LEU 101 Cb 0.88 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1y0t h LEU 101 CO 0.07 0.87 -0.29 0.28 -0.34 0.00 0.00 178.44 179.03 1y0t h SER 102 N -0.06 -0.97 -0.37 1.25 0.02 -0.96 0.42 113.55 112.86 1y0t h SER 102 Ca 0.01 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1y0t h SER 102 Cb 0.80 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.76 1y0t h SER 102 CO 0.05 -0.29 -0.04 -0.74 -1.14 0.00 0.00 176.83 174.66 1y0t h HIS 103 N -0.18 -0.11 0.00 3.45 -0.00 -1.23 -1.02 115.15 116.07 1y0t h HIS 103 Ca 0.21 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.58 1y0t h HIS 103 Cb 0.52 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1y0t h HIS 103 CO -0.55 -0.12 -0.17 0.00 -0.00 0.00 0.00 177.93 177.09 1y0t h LEU 105 N 0.00 0.65 -0.89 0.00 5.85 0.26 -2.28 115.31 118.89 1y0t h LEU 105 Ca -0.00 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1y0t h LEU 105 Cb 0.43 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1y0t h LEU 105 CO 0.02 1.03 0.39 -0.07 -0.34 0.00 0.00 178.44 179.48 1y0t h LEU 106 N 0.28 1.08 -0.25 2.25 3.38 -1.02 -0.98 115.31 120.05 1y0t h LEU 106 Ca 0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1y0t h LEU 106 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1y0t h LEU 106 CO 0.07 0.92 -0.00 0.58 0.09 0.00 0.00 178.44 180.10 1y0t h VAL 107 N 1.18 1.26 -0.19 1.22 2.07 -1.40 -1.72 116.25 118.67 1y0t h VAL 107 Ca 0.28 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1y0t h VAL 107 Cb 0.12 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1y0t h VAL 107 CO -0.04 0.29 0.12 0.74 0.02 0.00 0.00 177.57 178.70 1y0t h THR 108 N 0.22 1.04 -0.34 2.57 2.02 -1.08 -0.80 112.91 116.54 1y0t h THR 108 Ca 0.07 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1y0t h THR 108 Cb 0.42 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1y0t h THR 108 CO 0.01 0.04 0.16 -0.07 0.37 0.00 0.00 175.52 176.04 1y0t h LEU 109 N 0.24 0.44 -0.65 2.58 3.38 -1.20 -2.24 115.31 117.86 1y0t h LEU 109 Ca 0.07 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1y0t h LEU 109 Cb -0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1y0t h LEU 109 CO -0.02 0.43 0.30 0.00 0.09 0.00 0.00 178.44 179.24 1y0t h ALA 110 N 1.02 0.87 0.00 1.53 0.00 -1.16 0.16 119.26 121.69 1y0t h ALA 110 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1y0t h ALA 110 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y0t h ALA 110 CO -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1y0t h ALA 111 N 1.40 1.00 0.00 0.00 0.00 -0.82 -3.31 119.26 117.52 1y0t h ALA 111 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1y0t h ALA 111 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1y0t h ALA 111 CO -0.26 0.00 -1.37 0.72 0.00 0.00 0.00 179.25 178.34 1y0t n HIS 112 N -3.01 0.00 -3.25 0.00 -0.00 -0.47 -4.83 115.22 103.66 1y0t n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1y0t n HIS 112 Cb 0.27 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.99 29.98 1y0t n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y0t n LEU 113 N -1.91 3.39 -0.27 2.41 4.77 0.46 -4.95 117.00 120.89 1y0t n LEU 113 Ca -0.04 -5.40 -0.06 0.00 -0.03 0.00 0.00 56.01 50.48 1y0t n LEU 113 Cb 0.36 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1y0t n LEU 113 CO 0.15 2.15 1.10 1.55 -1.33 0.00 0.00 177.39 181.00 1y0t h PRO 114 N 3.77 1.05 -0.13 3.23 0.13 -1.81 0.22 132.00 138.47 1y0t h PRO 114 Ca 0.16 -0.14 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 1y0t h PRO 114 Cb 0.66 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1y0t h PRO 114 CO 0.77 0.80 -0.44 0.00 -0.23 0.00 0.00 178.00 178.90 1y0t h ALA 115 N 1.19 1.01 0.00 -0.56 0.00 -1.93 -3.25 119.26 115.72 1y0t h ALA 115 Ca 0.26 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1y0t h ALA 115 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1y0t h ALA 115 CO -0.04 0.62 -1.59 1.05 0.00 0.00 0.00 179.25 179.29 1y0t h GLU 116 N 0.25 0.00 -3.65 0.00 9.09 -1.91 -3.41 114.58 114.95 1y0t h GLU 116 Ca 0.02 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.07 1y0t h GLU 116 Cb 0.88 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.00 1y0t h GLU 116 CO 0.07 0.45 2.35 0.34 0.05 0.00 0.00 179.01 182.28 1y0t n PHE 117 N -3.01 1.22 -2.15 2.06 7.35 0.73 -4.71 117.46 118.95 1y0t n PHE 117 Ca -0.14 -1.74 -0.28 0.00 -0.76 0.00 0.00 57.45 54.53 1y0t n PHE 117 Cb 0.99 -1.52 0.04 0.00 0.35 0.00 0.00 39.48 39.34 1y0t n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0t s THR 118 N 3.84 3.43 0.23 -2.13 -4.23 -1.26 -4.81 115.64 110.71 1y0t s THR 118 Ca 0.37 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1y0t s THR 118 Cb 0.09 -3.42 0.19 0.00 1.34 0.00 0.00 72.50 70.71 1y0t s THR 118 CO -0.01 -0.48 1.74 -0.65 -0.54 0.00 0.00 174.62 174.68 1y0t h PRO 119 N -0.44 0.45 -0.36 3.99 0.11 -1.99 0.40 132.00 134.17 1y0t h PRO 119 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1y0t h PRO 119 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1y0t h PRO 119 CO 0.62 0.30 0.10 0.00 -0.21 0.00 0.00 178.00 178.81 1y0t h ALA 120 N 1.49 0.48 -0.28 -0.75 0.00 -1.95 -1.73 119.26 116.52 1y0t h ALA 120 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1y0t h ALA 120 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y0t h ALA 120 CO -0.35 0.13 -0.06 0.28 0.00 0.00 0.00 179.25 179.24 1y0t h VAL 121 N 0.43 1.28 -0.40 0.00 2.07 -1.66 -2.15 116.25 115.83 1y0t h VAL 121 Ca 0.12 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1y0t h VAL 121 Cb 0.27 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1y0t h VAL 121 CO -0.00 0.34 0.06 -0.74 0.02 0.00 0.00 177.57 177.25 1y0t h HIS 122 N 0.30 0.08 -0.61 1.57 6.17 -0.14 -0.30 115.15 122.23 1y0t h HIS 122 Ca 0.07 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 1y0t h HIS 122 Cb 0.54 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.46 1y0t h HIS 122 CO 0.05 -0.02 0.32 0.00 0.71 0.00 0.00 177.93 178.99 1y0t h ALA 123 N 1.32 0.78 -0.30 5.26 0.00 -1.22 -1.67 119.26 123.42 1y0t h ALA 123 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y0t h ALA 123 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y0t h ALA 123 CO -0.27 0.31 0.10 0.77 0.00 0.00 0.00 179.25 180.16 1y0t h SER 124 N 0.82 0.43 -0.29 0.00 0.02 -0.84 -1.57 113.55 112.12 1y0t h SER 124 Ca 0.21 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1y0t h SER 124 Cb 0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1y0t h SER 124 CO -0.03 0.51 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.07 1y0t h LEU 125 N 0.33 0.62 -0.10 5.07 3.38 -1.02 -1.22 115.31 122.37 1y0t h LEU 125 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1y0t h LEU 125 Cb 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y0t h LEU 125 CO -0.00 0.70 -0.12 -0.78 0.09 0.00 0.00 178.44 178.33 1y0t h ASP 126 N 0.61 0.27 -0.81 -0.43 3.58 -1.16 -1.51 116.42 116.96 1y0t h ASP 126 Ca 0.12 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 1y0t h ASP 126 Cb 0.42 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1y0t h ASP 126 CO 0.02 0.72 0.50 0.11 -2.88 0.00 0.00 179.24 177.71 1y0t h LYS 127 N -0.18 1.09 0.49 0.28 1.57 -1.13 -1.27 116.57 117.42 1y0t h LYS 127 Ca 0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1y0t h LYS 127 Cb 0.65 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1y0t h LYS 127 CO 0.03 0.76 -0.34 0.35 -0.57 0.00 0.00 179.45 179.68 1y0t h PHE 128 N 1.11 -0.91 -0.62 -1.35 3.57 -1.17 -1.70 116.94 115.86 1y0t h PHE 128 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1y0t h PHE 128 Cb -0.06 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1y0t h PHE 128 CO -0.01 -0.51 0.41 -0.07 -2.23 0.00 0.00 178.31 175.91 1y0t h LEU 129 N -0.80 0.65 -0.97 0.59 3.38 -1.13 -0.65 115.31 116.38 1y0t h LEU 129 Ca -0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1y0t h LEU 129 Cb 0.67 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1y0t h LEU 129 CO 0.03 0.45 0.23 0.00 0.09 0.00 0.00 178.44 179.24 1y0t h ALA 130 N 1.63 1.18 -0.28 1.53 0.00 -0.84 -1.80 119.26 120.69 1y0t h ALA 130 Ca 0.25 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1y0t h ALA 130 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1y0t h ALA 130 CO -0.06 0.58 -0.33 0.77 0.00 0.00 0.00 179.25 180.21 1y0t h SER 131 N 0.95 0.77 -0.11 0.00 0.02 -0.33 -2.02 113.55 112.83 1y0t h SER 131 Ca 0.22 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1y0t h SER 131 Cb 0.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1y0t h SER 131 CO -0.01 1.11 0.03 0.58 -1.14 0.00 0.00 176.83 177.40 1y0t h VAL 132 N 0.45 0.97 -0.80 2.27 2.07 -1.02 -1.79 116.25 118.40 1y0t h VAL 132 Ca 0.04 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1y0t h VAL 132 Cb 0.91 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1y0t h VAL 132 CO 0.08 0.02 0.48 0.28 0.02 0.00 0.00 177.57 178.45 1y0t h SER 133 N 0.09 0.74 -0.68 0.57 0.02 -1.31 -0.89 113.55 112.09 1y0t h SER 133 Ca 0.05 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1y0t h SER 133 Cb 0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1y0t h SER 133 CO -0.05 0.47 0.23 0.74 -1.14 0.00 0.00 176.83 177.08 1y0t h THR 134 N 0.87 1.25 0.02 -2.27 2.02 -1.14 -2.63 112.91 111.02 1y0t h THR 134 Ca 0.35 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1y0t h THR 134 Cb 0.18 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1y0t h THR 134 CO -0.18 0.33 -0.01 0.58 0.37 0.00 0.00 175.52 176.61 1y0t h VAL 135 N 0.99 1.21 0.00 3.16 2.07 -0.72 -1.59 116.25 121.36 1y0t h VAL 135 Ca 0.22 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1y0t h VAL 135 Cb 0.27 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1y0t h VAL 135 CO -0.01 0.18 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 1y0t h LEU 136 N -0.32 0.00 -0.86 2.57 3.38 -1.06 -2.41 115.31 116.61 1y0t h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y0t h LEU 136 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y0t h LEU 136 CO 0.00 0.00 -0.14 0.41 0.09 0.00 0.00 178.44 178.80 1y0t n THR 137 N -2.79 0.00 0.25 0.22 -1.04 -1.00 -4.42 114.28 105.49 1y0t n THR 137 Ca -0.02 -0.43 0.08 0.00 -2.04 0.00 0.00 64.05 61.65 1y0t n THR 137 Cb 0.10 1.12 0.62 0.00 -1.82 0.00 0.00 70.33 70.35 1y0t n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y0t h SER 138 N 1.16 0.00 -0.52 8.00 4.64 -0.75 -2.94 113.55 123.13 1y0t h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0t h SER 138 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1y0t h SER 138 CO 0.00 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1y0t n LYS 139 N -4.26 3.85 -0.12 4.77 5.02 -1.26 -4.63 118.16 121.53 1y0t n LYS 139 Ca -0.03 -2.90 -0.03 0.00 -2.02 0.00 0.00 58.31 53.33 1y0t n LYS 139 Cb 0.17 -1.95 0.18 0.00 -0.02 0.00 0.00 35.03 33.42 1y0t n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y0t h TYR 140 N 3.41 0.84 0.00 2.13 0.99 -1.84 -3.46 116.97 119.04 1y0t h TYR 140 Ca 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1y0t h TYR 140 Cb 1.55 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 39.04 1y0t h TYR 140 CO 0.77 0.74 0.00 2.89 -0.00 0.00 0.00 178.16 182.56