#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 4.28 0.79 7.52 1.43 -1.26 -5.01 118.68 126.42 1y0t s LEU 2 Ca 0.00 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1y0t s LEU 2 Cb 0.00 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1y0t s LEU 2 CO 0.00 -0.72 1.14 -0.94 0.23 0.00 0.00 176.35 176.05 1y0t s SER 3 N 1.99 4.52 0.30 2.29 1.04 -1.26 -4.85 113.70 117.73 1y0t s SER 3 Ca 0.61 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.71 1y0t s SER 3 Cb -0.28 -1.17 0.48 0.00 0.10 0.00 0.00 66.02 65.16 1y0t s SER 3 CO 0.23 -1.86 1.81 -0.65 0.98 0.00 0.00 173.24 173.75 1y0t h PRO 4 N -0.95 0.60 -0.43 4.02 0.11 -1.99 -0.50 132.00 132.85 1y0t h PRO 4 Ca -0.45 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 1y0t h PRO 4 Cb 1.32 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1y0t h PRO 4 CO 0.63 0.66 0.21 0.00 -0.21 0.00 0.00 178.00 179.29 1y0t h ALA 5 N 1.39 0.56 -0.03 -0.75 0.00 -1.99 -1.30 119.26 117.13 1y0t h ALA 5 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y0t h ALA 5 Cb 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1y0t h ALA 5 CO 0.02 0.11 -0.11 -0.44 0.00 0.00 0.00 179.25 178.83 1y0t h ASP 6 N 0.56 -0.33 -0.75 0.00 3.32 -1.81 0.25 116.42 117.67 1y0t h ASP 6 Ca 0.15 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1y0t h ASP 6 Cb 0.11 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1y0t h ASP 6 CO -0.02 -0.16 0.49 0.11 -1.72 0.00 0.00 179.24 177.95 1y0t h LYS 7 N -0.17 0.89 0.07 3.56 1.57 -0.82 -0.25 116.57 121.42 1y0t h LYS 7 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0t h LYS 7 Cb 0.24 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1y0t h LYS 7 CO -0.14 0.59 -0.04 1.15 -0.57 0.00 0.00 179.45 180.45 1y0t h THR 8 N 0.92 1.12 -0.36 -0.16 2.02 -0.54 -2.03 112.91 113.88 1y0t h THR 8 Ca 0.30 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.85 1y0t h THR 8 Cb 0.05 1.58 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 1y0t h THR 8 CO -0.09 0.17 -0.15 0.78 0.37 0.00 0.00 175.52 176.61 1y0t h ASN 9 N -0.42 -0.51 0.25 4.18 2.35 -0.06 -0.29 115.58 121.08 1y0t h ASN 9 Ca -0.01 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1y0t h ASN 9 Cb 0.36 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1y0t h ASN 9 CO 0.02 -0.18 -0.12 0.58 -1.65 0.00 0.00 177.43 176.07 1y0t h VAL 10 N -0.08 0.74 -0.74 2.81 2.07 -1.06 -1.46 116.25 118.53 1y0t h VAL 10 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1y0t h VAL 10 Cb 0.35 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1y0t h VAL 10 CO -0.42 0.00 0.49 0.11 0.02 0.00 0.00 177.57 177.78 1y0t h LYS 11 N -0.34 0.90 0.62 1.57 1.57 -1.10 0.43 116.57 120.22 1y0t h LYS 11 Ca -0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1y0t h LYS 11 Cb 0.27 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1y0t h LYS 11 CO 0.05 0.59 -0.30 0.00 -0.57 0.00 0.00 179.45 179.23 1y0t h ALA 12 N 1.56 -1.13 -0.56 3.86 0.00 -0.76 -0.64 119.26 121.59 1y0t h ALA 12 Ca 0.29 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1y0t h ALA 12 Cb 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1y0t h ALA 12 CO -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 179.25 178.09 1y0t h ALA 13 N -1.56 0.52 0.00 0.00 0.00 -1.11 0.47 119.26 117.59 1y0t h ALA 13 Ca -0.09 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1y0t h ALA 13 Cb 0.64 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1y0t h ALA 13 CO 0.14 -0.39 -0.37 2.35 0.00 0.00 0.00 179.25 180.97 1y0t h TRP 14 N 0.11 0.00 -0.90 0.00 2.91 -0.97 -2.54 115.95 114.56 1y0t h TRP 14 Ca 0.28 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.32 1y0t h TRP 14 Cb 0.45 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 1y0t h TRP 14 CO -0.35 0.37 0.59 0.78 -1.03 0.00 0.00 178.44 178.81 1y0t h GLY 15 N 1.36 1.28 2.00 2.65 0.00 0.72 -1.97 103.07 109.11 1y0t h GLY 15 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1y0t h GLY 15 CO 0.05 0.43 -0.51 0.50 0.00 0.00 0.00 176.54 177.01 1y0t h LYS 16 N 1.18 0.00 -0.17 4.80 1.79 -0.99 -3.23 116.57 119.95 1y0t h LYS 16 Ca 0.34 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1y0t h LYS 16 Cb -0.08 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1y0t h LYS 16 CO -0.09 0.51 -0.04 0.28 -1.08 0.00 0.00 179.45 179.03 1y0t h VAL 17 N 0.00 0.83 0.00 0.50 2.07 -1.11 -3.46 116.25 115.08 1y0t h VAL 17 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1y0t h VAL 17 Cb 1.02 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1y0t h VAL 17 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1y0t n GLY 18 N -1.18 3.07 0.00 2.17 0.00 -1.19 -1.77 105.19 106.29 1y0t n GLY 18 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 9.48 1.92 0.97 4.61 0.00 -1.26 -2.56 120.51 133.68 1y0t n ALA 19 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1y0t n ALA 19 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.95 0.00 -0.29 0.00 8.25 -0.73 -4.60 115.22 116.90 1y0t n HIS 20 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 1y0t n HIS 20 Cb 0.04 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.42 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 3.69 1.33 -0.52 -1.41 0.00 -1.62 -0.61 119.26 120.13 1y0t h ALA 21 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y0t h ALA 21 Cb 0.71 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1y0t h ALA 21 CO 0.00 -0.34 0.29 0.78 0.00 0.00 0.00 179.25 179.98 1y0t h GLY 22 N 0.37 0.73 1.30 0.00 0.00 -1.84 0.37 103.07 104.00 1y0t h GLY 22 Ca 0.53 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.54 1y0t h GLY 22 CO -0.53 0.17 -0.18 0.83 0.00 0.00 0.00 176.54 176.83 1y0t h GLU 23 N 0.58 0.81 -0.13 4.80 5.08 -1.48 -1.09 114.58 123.14 1y0t h GLU 23 Ca 0.21 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1y0t h GLU 23 Cb 0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1y0t h GLU 23 CO -0.12 0.93 -0.66 1.88 -1.00 0.00 0.00 179.01 180.04 1y0t h TYR 24 N 0.72 0.67 0.74 4.33 -1.99 -0.76 -0.03 116.97 120.64 1y0t h TYR 24 Ca 0.11 -0.27 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 1y0t h TYR 24 Cb 0.69 -0.11 0.01 0.00 2.00 0.00 0.00 36.73 39.31 1y0t h TYR 24 CO 0.04 1.02 -0.35 0.78 -0.00 0.00 0.00 178.16 179.65 1y0t h GLY 25 N 1.11 -1.03 0.37 3.88 0.00 -0.02 -0.32 103.07 107.05 1y0t h GLY 25 Ca -0.02 0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.81 1y0t h GLY 25 CO 0.12 -0.38 0.43 0.00 0.00 0.00 0.00 176.54 176.71 1y0t h ALA 26 N -0.72 1.18 -0.45 3.60 0.00 -1.18 -1.99 119.26 119.71 1y0t h ALA 26 Ca -0.10 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1y0t h ALA 26 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1y0t h ALA 26 CO 0.17 -0.02 -0.20 1.49 0.00 0.00 0.00 179.25 180.68 1y0t h GLU 27 N 0.67 0.90 -0.52 0.00 4.81 -0.71 -2.00 114.58 117.73 1y0t h GLU 27 Ca 0.42 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1y0t h GLU 27 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1y0t h GLU 27 CO -0.31 1.02 0.09 0.00 -0.73 0.00 0.00 179.01 179.08 1y0t h ALA 28 N 0.98 1.20 -0.08 2.92 0.00 -0.47 -1.17 119.26 122.64 1y0t h ALA 28 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1y0t h ALA 28 Cb 0.75 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1y0t h ALA 28 CO 0.06 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.76 1y0t h LEU 29 N 0.77 0.17 -0.94 0.00 3.38 -1.22 -0.98 115.31 116.49 1y0t h LEU 29 Ca 0.17 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1y0t h LEU 29 Cb 0.33 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1y0t h LEU 29 CO 0.00 0.51 0.59 -0.08 0.09 0.00 0.00 178.44 179.56 1y0t h GLU 30 N -0.18 1.00 -0.18 1.13 4.81 -1.17 0.18 114.58 120.17 1y0t h GLU 30 Ca 0.02 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1y0t h GLU 30 Cb 0.45 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1y0t h GLU 30 CO 0.01 0.66 -0.35 0.00 -0.73 0.00 0.00 179.01 178.60 1y0t h ARG 31 N 1.03 0.38 -0.34 1.92 3.08 -1.11 -2.78 114.38 116.56 1y0t h ARG 31 Ca 0.43 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 1y0t h ARG 31 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1y0t h ARG 31 CO -0.20 0.68 -0.14 1.98 -1.07 0.00 0.00 179.97 181.22 1y0t h MET 32 N 0.32 0.70 -0.79 0.04 4.05 0.52 -1.42 114.93 118.34 1y0t h MET 32 Ca 0.04 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1y0t h MET 32 Cb 0.77 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.51 1y0t h MET 32 CO 0.06 0.89 0.48 0.74 0.23 0.00 0.00 176.91 179.31 1y0t h PHE 33 N 0.47 1.05 0.05 1.39 0.04 -0.62 0.19 116.94 119.51 1y0t h PHE 33 Ca 0.08 -0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 1y0t h PHE 33 Cb 0.67 -0.34 0.02 0.00 2.20 0.00 0.00 35.95 38.50 1y0t h PHE 33 CO 0.06 0.70 -0.90 -0.07 -0.60 0.00 0.00 178.31 177.49 1y0t h LEU 34 N 1.09 0.70 0.12 1.54 3.38 -1.52 -3.18 115.31 117.44 1y0t h LEU 34 Ca 0.29 -0.80 -0.27 0.00 0.09 0.00 0.00 57.88 57.18 1y0t h LEU 34 Cb -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1y0t h LEU 34 CO -0.05 1.42 -1.24 0.28 0.09 0.00 0.00 178.44 178.93 1y0t h SER 35 N 0.07 0.38 -2.65 -0.43 0.02 -1.19 -3.39 113.55 106.36 1y0t h SER 35 Ca -0.13 -0.42 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 1y0t h SER 35 Cb 1.61 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.62 1y0t h SER 35 CO 0.17 1.33 -0.79 0.49 -1.14 0.00 0.00 176.83 176.90 1y0t n PHE 36 N -3.51 1.17 0.26 3.45 3.01 0.67 -4.97 117.46 117.54 1y0t n PHE 36 Ca -0.08 -3.80 0.17 0.00 1.01 0.00 0.00 57.45 54.74 1y0t n PHE 36 Cb 1.02 -0.20 0.87 0.00 -0.01 0.00 0.00 39.48 41.16 1y0t n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0t h PRO 37 N 5.36 0.00 0.00 -1.08 0.13 -1.71 -1.00 132.00 133.70 1y0t h PRO 37 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1y0t h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1y0t h PRO 37 CO 0.55 0.00 -0.01 1.79 -0.23 0.00 0.00 178.00 180.10 1y0t h THR 38 N 0.00 0.04 0.00 1.56 1.35 -1.91 -2.02 112.91 111.93 1y0t h THR 38 Ca 0.00 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1y0t h THR 38 Cb 0.06 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1y0t h THR 38 CO 0.00 0.01 -0.01 0.71 -0.25 0.00 0.00 175.52 175.98 1y0t h THR 39 N 0.00 0.03 0.00 6.82 1.35 -1.50 -2.93 112.91 116.69 1y0t h THR 39 Ca -0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1y0t h THR 39 Cb 0.29 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1y0t h THR 39 CO 0.00 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1y0t h LYS 40 N 0.00 0.00 -0.04 4.72 1.57 -1.55 -2.95 116.57 118.32 1y0t h LYS 40 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y0t h LYS 40 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1y0t h LYS 40 CO 0.00 0.00 0.12 1.79 -0.57 0.00 0.00 179.45 180.80 1y0t h THR 41 N 0.00 0.14 -0.01 -0.16 1.35 -1.70 0.04 112.91 112.56 1y0t h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y0t h THR 41 Cb 0.34 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1y0t h THR 41 CO 0.00 0.00 -0.12 -1.22 -0.25 0.00 0.00 175.52 173.93 1y0t n TYR 42 N -3.25 0.00 -2.48 4.73 4.01 -1.12 -4.26 117.16 114.79 1y0t n TYR 42 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 1y0t n TYR 42 Cb 0.20 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.02 1.97 -0.02 -0.72 3.01 -0.00 -4.88 117.46 116.80 1y0t n PHE 43 Ca 0.16 -2.28 0.19 0.00 1.01 0.00 0.00 57.45 56.52 1y0t n PHE 43 Cb 0.38 -0.27 0.66 0.00 -0.01 0.00 0.00 39.48 40.24 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 2.47 0.07 -0.05 -1.08 0.13 -1.74 -0.26 132.00 131.54 1y0t h PRO 44 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1y0t h PRO 44 Cb 1.35 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1y0t h PRO 44 CO 0.47 0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 175.90 1y0t n HIS 45 N -4.39 0.05 -4.08 1.56 1.44 -1.26 -4.87 115.22 103.67 1y0t n HIS 45 Ca 0.10 -0.03 -0.22 0.00 -2.01 0.00 0.00 57.72 55.57 1y0t n HIS 45 Cb 0.59 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.95 3.20 -0.46 -1.40 2.99 -0.11 -5.06 117.98 115.19 1y0t s PHE 46 Ca 0.36 -0.08 -0.17 0.00 0.00 0.00 0.00 56.93 57.04 1y0t s PHE 46 Cb 0.18 -1.45 0.05 0.00 0.00 0.00 0.00 43.02 41.79 1y0t s PHE 46 CO 0.29 0.50 0.46 0.34 -0.00 0.00 0.00 175.22 176.81 1y0t s ASP 47 N -3.80 6.18 -0.03 1.36 2.15 -1.26 -4.93 116.67 116.33 1y0t s ASP 47 Ca 0.33 -0.99 0.11 0.00 0.43 0.00 0.00 52.55 52.43 1y0t s ASP 47 Cb -0.08 -2.22 0.37 0.00 -0.30 0.00 0.00 42.92 40.68 1y0t s ASP 47 CO 0.26 -0.68 1.25 0.18 -0.17 0.00 0.00 175.17 176.01 1y0t n LEU 48 N 5.58 2.45 -4.77 -1.34 4.77 -1.26 -4.45 117.00 117.98 1y0t n LEU 48 Ca -0.09 -1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 54.31 1y0t n LEU 48 Cb 0.45 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1y0t n LEU 48 CO 0.48 0.50 0.77 -0.94 -1.33 0.00 0.00 177.39 176.88 1y0t s SER 49 N -0.84 5.53 0.13 -1.43 1.04 -1.26 -4.92 113.70 111.94 1y0t s SER 49 Ca 0.27 2.14 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 1y0t s SER 49 Cb 0.16 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 1y0t s SER 49 CO 0.15 -1.35 1.79 1.57 0.98 0.00 0.00 173.24 176.38 1y0t n HIS 50 N -1.62 2.59 -0.90 5.02 -0.00 -1.26 -1.69 115.22 117.36 1y0t n HIS 50 Ca 0.11 -0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1y0t n HIS 50 Cb 0.51 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 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 4.09 0.52 3.76 1.57 0.00 -1.26 -5.02 105.19 108.84 1y0t n GLY 51 Ca 0.18 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1y0t n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y0t s SER 52 N -2.27 6.62 0.46 1.61 1.04 -0.68 -4.89 113.70 115.59 1y0t s SER 52 Ca 0.00 2.77 0.22 0.00 0.48 0.00 0.00 55.95 59.42 1y0t s SER 52 Cb 0.00 -2.64 1.14 0.00 0.10 0.00 0.00 66.02 64.62 1y0t s SER 52 CO 0.00 -0.69 1.96 0.00 0.98 0.00 0.00 173.24 175.49 1y0t h ALA 53 N 4.03 1.27 -0.35 5.32 0.00 -1.90 0.28 119.26 127.91 1y0t h ALA 53 Ca -0.48 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1y0t h ALA 53 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1y0t h ALA 53 CO 0.71 0.26 -0.14 1.96 0.00 0.00 0.00 179.25 182.04 1y0t h GLN 54 N 0.00 0.71 -0.34 0.00 4.20 -1.90 0.07 115.11 117.85 1y0t h GLN 54 Ca -0.00 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1y0t h GLN 54 Cb 0.50 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1y0t h GLN 54 CO 0.03 0.90 -0.30 0.28 -0.67 0.00 0.00 178.83 179.06 1y0t h VAL 55 N 0.49 1.29 0.03 -0.54 2.07 -1.62 -1.77 116.25 116.20 1y0t h VAL 55 Ca 0.08 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1y0t h VAL 55 Cb 0.67 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1y0t h VAL 55 CO 0.05 0.48 -0.02 0.11 0.02 0.00 0.00 177.57 178.21 1y0t h LYS 56 N 0.58 -0.05 -0.39 1.57 1.57 -0.86 0.30 116.57 119.29 1y0t h LYS 56 Ca 0.06 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1y0t h LYS 56 Cb 0.88 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1y0t h LYS 56 CO 0.08 -0.03 0.20 0.78 -0.57 0.00 0.00 179.45 179.90 1y0t h GLY 57 N -0.05 0.53 1.37 3.86 0.00 -0.96 -1.10 103.07 106.71 1y0t h GLY 57 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1y0t h GLY 57 CO 0.01 0.10 0.08 0.84 0.00 0.00 0.00 176.54 177.57 1y0t h HIS 58 N 0.40 0.82 -0.79 5.60 -0.00 -1.14 -1.71 115.15 118.34 1y0t h HIS 58 Ca 0.17 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1y0t h HIS 58 Cb 0.07 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.21 1y0t h HIS 58 CO -0.10 0.72 0.49 0.78 -0.00 0.00 0.00 177.93 179.83 1y0t h GLY 59 N 0.96 1.13 0.93 5.26 0.00 -0.17 -0.67 103.07 110.50 1y0t h GLY 59 Ca 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1y0t h GLY 59 CO 0.01 0.44 -0.12 1.70 0.00 0.00 0.00 176.54 178.56 1y0t h LYS 60 N 1.07 -0.33 -0.55 4.80 3.64 -0.55 -1.07 116.57 123.58 1y0t h LYS 60 Ca 0.28 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1y0t h LYS 60 Cb -0.07 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 31.72 1y0t h LYS 60 CO -0.06 -0.17 -0.17 0.87 -2.27 0.00 0.00 179.45 177.66 1y0t h LYS 61 N -0.42 -0.04 -0.25 1.90 1.57 -0.95 0.13 116.57 118.51 1y0t h LYS 61 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1y0t h LYS 61 Cb 0.32 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1y0t h LYS 61 CO 0.06 -0.03 0.06 0.28 -0.57 0.00 0.00 179.45 179.26 1y0t h VAL 62 N -0.04 1.21 -0.29 0.50 2.07 -0.99 -2.47 116.25 116.24 1y0t h VAL 62 Ca 0.26 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1y0t h VAL 62 Cb 0.44 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1y0t h VAL 62 CO -0.58 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.22 1y0t h ALA 63 N 0.89 0.25 -0.69 1.67 0.00 -0.51 -1.89 119.26 118.98 1y0t h ALA 63 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1y0t h ALA 63 Cb 0.27 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1y0t h ALA 63 CO 0.00 -0.42 0.31 -0.44 0.00 0.00 0.00 179.25 178.71 1y0t h ASP 64 N 0.08 0.38 -0.22 0.00 5.19 -0.65 -1.07 116.42 120.13 1y0t h ASP 64 Ca 0.14 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 1y0t h ASP 64 Cb 0.18 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1y0t h ASP 64 CO -0.24 0.21 -0.09 0.00 -3.12 0.00 0.00 179.24 176.00 1y0t h ALA 65 N 1.44 1.20 -0.54 3.45 0.00 -0.96 -1.79 119.26 122.06 1y0t h ALA 65 Ca 0.35 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1y0t h ALA 65 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1y0t h ALA 65 CO -0.30 0.51 0.08 -0.07 0.00 0.00 0.00 179.25 179.48 1y0t h LEU 66 N 0.54 0.87 0.12 0.00 3.38 -0.45 -0.95 115.31 118.82 1y0t h LEU 66 Ca 0.10 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1y0t h LEU 66 Cb 0.48 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1y0t h LEU 66 CO 0.03 0.91 -0.28 0.74 0.09 0.00 0.00 178.44 179.93 1y0t h THR 67 N 0.79 0.38 -0.37 0.22 2.02 -1.00 0.20 112.91 115.17 1y0t h THR 67 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1y0t h THR 67 Cb 0.42 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1y0t h THR 67 CO 0.01 0.00 0.25 -1.13 0.37 0.00 0.00 175.52 175.02 1y0t h ASN 68 N -0.50 0.28 -0.11 4.18 -1.24 -1.20 -0.20 115.58 116.80 1y0t h ASN 68 Ca 0.03 -0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.81 1y0t h ASN 68 Cb 0.53 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.52 1y0t h ASN 68 CO -0.17 0.19 -0.81 0.00 -1.29 0.00 0.00 177.43 175.36 1y0t h ALA 69 N 1.80 0.31 -0.40 1.57 0.00 0.13 -2.27 119.26 120.39 1y0t h ALA 69 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1y0t h ALA 69 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1y0t h ALA 69 CO -0.03 0.69 0.14 0.28 0.00 0.00 0.00 179.25 180.33 1y0t h VAL 70 N 0.51 1.21 -0.89 0.00 2.07 0.30 0.15 116.25 119.60 1y0t h VAL 70 Ca -0.06 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1y0t h VAL 70 Cb 1.44 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1y0t h VAL 70 CO 0.16 0.24 0.58 0.00 0.02 0.00 0.00 177.57 178.57 1y0t h ALA 71 N 0.99 1.48 -0.83 1.67 0.00 -1.10 -2.64 119.26 118.83 1y0t h ALA 71 Ca 0.13 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.42 1y0t h ALA 71 Cb 0.23 -0.29 -0.38 0.00 0.00 0.00 0.00 17.79 17.35 1y0t h ALA 71 CO -0.01 0.41 -0.25 0.72 0.00 0.00 0.00 179.25 180.13 1y0t n HIS 72 N -4.46 2.90 0.17 0.00 8.25 -0.86 -4.75 115.22 116.46 1y0t n HIS 72 Ca 0.12 -2.49 0.18 0.00 -0.26 0.00 0.00 57.72 55.28 1y0t n HIS 72 Cb 0.15 -0.71 0.80 0.00 1.12 0.00 0.00 29.99 31.34 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 1.78 0.46 0.00 1.59 3.04 -0.58 0.24 116.25 122.77 1y0t h VAL 73 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 1y0t h VAL 73 Cb 1.30 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1y0t h VAL 73 CO 1.03 0.00 -0.24 0.44 -1.01 0.00 0.00 177.57 177.80 1y0t h ASP 74 N 0.00 0.00 -0.81 3.17 3.32 -1.85 -3.38 116.42 116.87 1y0t h ASP 74 Ca 0.12 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.85 1y0t h ASP 74 Cb 0.67 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.83 1y0t h ASP 74 CO -0.00 0.00 -1.14 -0.67 -1.72 0.00 0.00 179.24 175.71 1y0t n ASP 75 N -2.99 1.31 -0.07 6.45 2.03 0.74 -4.98 116.55 119.04 1y0t n ASP 75 Ca 0.03 -2.52 -0.07 0.00 0.52 0.00 0.00 54.79 52.75 1y0t n ASP 75 Cb 0.53 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 40.48 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 2.84 -0.04 -0.96 -0.67 2.86 -1.48 0.22 114.93 117.69 1y0t h MET 76 Ca -0.12 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.72 1y0t h MET 76 Cb 1.21 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.77 1y0t h MET 76 CO 0.39 -0.03 0.55 -1.35 1.06 0.00 0.00 176.91 177.53 1y0t h PRO 77 N -0.04 0.62 0.14 -0.22 0.11 -1.94 0.52 132.00 131.19 1y0t h PRO 77 Ca 0.14 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 1y0t h PRO 77 Cb 0.26 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.25 1y0t h PRO 77 CO -0.32 0.41 -0.85 -0.91 -0.21 0.00 0.00 178.00 176.12 1y0t h ASN 78 N 0.64 0.46 0.11 -2.05 4.21 -1.79 -2.68 115.58 114.48 1y0t h ASN 78 Ca 0.58 -0.95 -0.01 0.00 1.21 0.00 0.00 56.30 57.12 1y0t h ASN 78 Cb 0.98 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1y0t h ASN 78 CO -0.43 1.41 -0.06 0.00 -1.29 0.00 0.00 177.43 177.05 1y0t h ALA 79 N 0.07 1.63 -0.24 -0.83 0.00 0.90 -3.00 119.26 117.80 1y0t h ALA 79 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y0t h ALA 79 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1y0t h ALA 79 CO 0.15 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1y0t n LEU 80 N -4.08 3.69 -0.15 0.00 4.77 0.17 -4.77 117.00 116.62 1y0t n LEU 80 Ca -0.03 -2.99 -0.08 0.00 -0.03 0.00 0.00 56.01 52.89 1y0t n LEU 80 Cb 0.15 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1y0t n LEU 80 CO 0.31 0.68 0.60 0.77 -1.33 0.00 0.00 177.39 178.43 1y0t h SER 81 N 1.62 -1.28 -0.44 -1.43 4.64 -1.32 0.18 113.55 115.51 1y0t h SER 81 Ca 0.00 0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.60 1y0t h SER 81 Cb 1.37 0.59 -0.06 0.00 -0.31 0.00 0.00 62.40 63.99 1y0t h SER 81 CO 0.19 -0.34 0.11 0.00 -0.87 0.00 0.00 176.83 175.92 1y0t h ALA 82 N 0.66 0.50 -0.55 5.18 0.00 -1.86 -0.95 119.26 122.24 1y0t h ALA 82 Ca 0.17 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1y0t h ALA 82 Cb 0.56 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1y0t h ALA 82 CO -0.60 -0.29 0.02 -0.07 0.00 0.00 0.00 179.25 178.31 1y0t h LEU 83 N 0.25 0.90 -0.96 0.00 4.07 -1.76 -0.42 115.31 117.39 1y0t h LEU 83 Ca 0.22 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 1y0t h LEU 83 Cb 0.26 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1y0t h LEU 83 CO -0.26 0.95 -0.05 0.28 -1.08 0.00 0.00 178.44 178.27 1y0t h SER 84 N 0.86 0.67 0.68 -0.43 0.02 -0.36 -2.16 113.55 112.83 1y0t h SER 84 Ca 0.16 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1y0t h SER 84 Cb 0.48 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1y0t h SER 84 CO 0.02 0.78 -0.33 0.44 -1.14 0.00 0.00 176.83 176.60 1y0t h ASP 85 N 0.65 -0.77 -0.65 3.07 3.32 -0.88 -1.52 116.42 119.64 1y0t h ASP 85 Ca 0.12 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1y0t h ASP 85 Cb 0.48 0.20 -0.12 0.00 0.22 0.00 0.00 39.33 40.11 1y0t h ASP 85 CO 0.02 -0.49 -0.36 0.25 -1.72 0.00 0.00 179.24 176.94 1y0t h LEU 86 N -1.03 -1.26 -0.33 1.55 5.85 -1.00 0.21 115.31 119.30 1y0t h LEU 86 Ca -0.09 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1y0t h LEU 86 Cb 0.70 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1y0t h LEU 86 CO 0.15 -0.31 0.14 0.45 -0.34 0.00 0.00 178.44 178.54 1y0t h HIS 87 N -0.15 0.49 -0.41 1.25 3.86 -1.47 0.12 115.15 118.83 1y0t h HIS 87 Ca 0.24 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.28 1y0t h HIS 87 Cb 0.56 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1y0t h HIS 87 CO -0.68 0.44 -0.30 0.00 0.86 0.00 0.00 177.93 178.25 1y0t h ALA 88 N 0.99 0.70 0.00 2.45 0.00 -0.29 0.45 119.26 123.56 1y0t h ALA 88 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1y0t h ALA 88 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1y0t h ALA 88 CO -0.01 0.67 -1.58 0.72 0.00 0.00 0.00 179.25 179.05 1y0t n HIS 89 N -4.08 0.00 0.00 0.00 8.25 0.64 -4.58 115.22 115.45 1y0t n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1y0t n HIS 89 Cb 0.49 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.95 0.00 -0.05 -0.41 4.81 0.30 -4.86 118.16 116.00 1y0t n LYS 90 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.32 1y0t n LYS 90 Cb 0.37 -0.18 -0.03 0.00 0.02 0.00 0.00 35.03 35.21 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 0.00 0.26 -1.54 3.14 3.38 -1.34 -3.47 115.31 115.74 1y0t h LEU 91 Ca 0.00 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.47 1y0t h LEU 91 Cb 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1y0t h LEU 91 CO 0.00 0.20 -0.83 0.54 0.09 0.00 0.00 178.44 178.44 1y0t n ARG 92 N -4.92 -4.25 -2.12 1.13 1.74 0.16 -4.92 116.66 103.48 1y0t n ARG 92 Ca -0.03 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.14 1y0t n ARG 92 Cb 0.04 -5.02 -0.03 0.00 -1.02 0.00 0.00 32.46 26.43 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 -3.63 2.90 0.27 1.55 1.01 -1.26 -4.95 120.40 116.30 1y0t s VAL 93 Ca 0.27 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1y0t s VAL 93 Cb -0.14 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1y0t s VAL 93 CO 0.86 0.13 1.45 -0.62 0.00 0.00 0.00 175.10 176.92 1y0t s ASP 94 N 0.16 6.61 0.54 3.32 2.15 -1.26 -4.87 116.67 123.32 1y0t s ASP 94 Ca 0.56 2.74 0.34 0.00 0.43 0.00 0.00 52.55 56.62 1y0t s ASP 94 Cb -0.39 -2.63 1.52 0.00 -0.30 0.00 0.00 42.92 41.11 1y0t s ASP 94 CO 0.43 -0.72 1.83 -0.65 -0.17 0.00 0.00 175.17 175.89 1y0t h PRO 95 N 4.66 0.01 0.00 4.34 0.11 -2.00 -1.69 132.00 137.44 1y0t h PRO 95 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1y0t h PRO 95 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y0t h PRO 95 CO 0.75 0.01 -0.08 0.28 -0.21 0.00 0.00 178.00 178.75 1y0t h VAL 96 N 0.01 1.03 0.00 3.15 2.07 -2.03 -2.58 116.25 117.90 1y0t h VAL 96 Ca 0.52 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1y0t h VAL 96 Cb 2.05 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1y0t h VAL 96 CO -0.01 0.08 -0.12 0.78 0.02 0.00 0.00 177.57 178.31 1y0t h ASN 97 N 0.00 0.00 -0.25 0.57 4.21 -1.67 -3.04 115.58 115.40 1y0t h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1y0t h ASN 97 Cb 0.14 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1y0t h ASN 97 CO 0.01 0.12 -0.10 -0.26 -1.29 0.00 0.00 177.43 175.92 1y0t h PHE 98 N 0.00 0.69 -0.07 1.19 0.04 -1.64 -2.53 116.94 114.62 1y0t h PHE 98 Ca -0.00 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1y0t h PHE 98 Cb 0.52 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1y0t h PHE 98 CO 0.00 0.71 -0.20 0.87 -0.60 0.00 0.00 178.31 179.09 1y0t h LYS 99 N 0.59 0.11 -0.07 1.51 1.57 -1.70 -1.27 116.57 117.31 1y0t h LYS 99 Ca 0.11 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1y0t h LYS 99 Cb 0.51 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1y0t h LYS 99 CO 0.03 0.32 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.74 1y0t h LEU 100 N 0.11 0.49 -0.55 2.94 3.38 -1.57 -2.00 115.31 118.10 1y0t h LEU 100 Ca 0.02 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 1y0t h LEU 100 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1y0t h LEU 100 CO 0.03 1.08 0.00 0.25 0.09 0.00 0.00 178.44 179.89 1y0t h LEU 101 N -0.07 0.95 -0.05 1.67 6.46 -1.39 -2.37 115.31 120.52 1y0t h LEU 101 Ca -0.03 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1y0t h LEU 101 Cb 1.08 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1y0t h LEU 101 CO 0.09 1.03 -0.07 0.28 -0.62 0.00 0.00 178.44 179.14 1y0t h SER 102 N 0.85 -0.22 -0.36 1.25 0.02 -1.24 -1.45 113.55 112.41 1y0t h SER 102 Ca 0.16 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1y0t h SER 102 Cb 0.54 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1y0t h SER 102 CO 0.03 -0.10 0.11 -0.74 -1.14 0.00 0.00 176.83 174.98 1y0t h HIS 103 N -0.11 0.19 0.00 3.45 -0.00 -1.31 -1.45 115.15 115.92 1y0t h HIS 103 Ca 0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1y0t h HIS 103 Cb 0.17 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1y0t h HIS 103 CO -0.16 0.07 -0.05 0.00 -0.00 0.00 0.00 177.93 177.78 1y0t h LEU 105 N 0.00 0.81 0.60 0.00 5.85 -0.25 -2.17 115.31 120.15 1y0t h LEU 105 Ca -0.00 -0.82 -0.03 0.00 0.84 0.00 0.00 57.88 57.87 1y0t h LEU 105 Cb 0.24 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1y0t h LEU 105 CO 0.01 1.55 -0.29 -0.07 -0.34 0.00 0.00 178.44 179.29 1y0t h LEU 106 N 0.18 -0.68 -0.73 2.25 3.38 -0.79 -0.89 115.31 118.02 1y0t h LEU 106 Ca -0.17 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1y0t h LEU 106 Cb 1.80 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 42.61 1y0t h LEU 106 CO 0.21 -0.42 0.03 0.58 0.09 0.00 0.00 178.44 178.94 1y0t h VAL 107 N -0.91 0.39 -0.70 1.22 2.07 -1.39 0.35 116.25 117.28 1y0t h VAL 107 Ca -0.08 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1y0t h VAL 107 Cb 0.65 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1y0t h VAL 107 CO 0.14 0.02 0.29 0.74 0.02 0.00 0.00 177.57 178.78 1y0t h THR 108 N 0.13 1.25 -0.15 2.57 2.02 -1.23 -2.12 112.91 115.37 1y0t h THR 108 Ca 0.40 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 1y0t h THR 108 Cb 0.70 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1y0t h THR 108 CO -0.62 0.31 -0.08 -0.07 0.37 0.00 0.00 175.52 175.43 1y0t h LEU 109 N 1.00 0.33 -0.60 2.58 3.38 0.71 -2.75 115.31 119.96 1y0t h LEU 109 Ca 0.24 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1y0t h LEU 109 Cb 0.20 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1y0t h LEU 109 CO -0.02 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.28 1y0t h ALA 110 N 0.67 0.69 0.00 1.53 0.00 -0.33 0.38 119.26 122.19 1y0t h ALA 110 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y0t h ALA 110 Cb 0.55 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1y0t h ALA 110 CO 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1y0t h ALA 111 N 1.50 1.00 0.00 0.00 0.00 -1.37 -3.27 119.26 117.12 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 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1y0t h ALA 111 CO -0.44 0.00 -1.34 0.72 0.00 0.00 0.00 179.25 178.19 1y0t n HIS 112 N -2.70 0.00 -2.89 0.00 -0.00 -0.21 -4.80 115.22 104.62 1y0t n HIS 112 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.49 1y0t n HIS 112 Cb 0.26 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.99 30.02 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 3.63 -0.07 2.41 4.77 0.12 -4.97 117.00 120.99 1y0t n LEU 113 Ca -0.04 -5.35 -0.14 0.00 -0.03 0.00 0.00 56.01 50.44 1y0t n LEU 113 Cb 0.36 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1y0t n LEU 113 CO 0.13 2.28 0.50 1.55 -1.33 0.00 0.00 177.39 180.52 1y0t h PRO 114 N 2.91 -0.47 -0.80 3.23 0.13 -1.79 0.17 132.00 135.39 1y0t h PRO 114 Ca 0.14 0.03 0.11 0.00 -0.87 0.00 0.00 66.00 65.41 1y0t h PRO 114 Cb 0.71 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 1y0t h PRO 114 CO 0.74 -0.31 0.42 0.00 -0.23 0.00 0.00 178.00 178.62 1y0t h ALA 115 N -0.19 1.15 0.00 -0.56 0.00 -1.93 -2.77 119.26 114.95 1y0t h ALA 115 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1y0t h ALA 115 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1y0t h ALA 115 CO -0.51 -0.00 -0.17 0.93 0.00 0.00 0.00 179.25 179.49 1y0t h GLU 116 N 0.68 0.00 -2.52 0.00 3.07 -1.81 -3.38 114.58 110.62 1y0t h GLU 116 Ca 0.40 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.73 1y0t h GLU 116 Cb 0.45 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.31 1y0t h GLU 116 CO -0.29 0.17 1.95 0.34 -1.40 0.00 0.00 179.01 179.78 1y0t n PHE 117 N -3.15 1.68 -1.52 4.33 7.35 0.54 -4.78 117.46 121.91 1y0t n PHE 117 Ca 0.03 -2.45 -0.30 0.00 -0.76 0.00 0.00 57.45 53.97 1y0t n PHE 117 Cb 0.58 -1.97 0.09 0.00 0.35 0.00 0.00 39.48 38.53 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 0.59 3.11 0.26 -2.13 -4.23 -1.26 -4.75 115.64 107.23 1y0t s THR 118 Ca 0.65 0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 1y0t s THR 118 Cb 0.25 -3.08 0.24 0.00 1.34 0.00 0.00 72.50 71.25 1y0t s THR 118 CO -0.07 -0.47 1.81 -0.65 -0.54 0.00 0.00 174.62 174.69 1y0t h PRO 119 N -1.10 0.79 -0.24 3.99 0.11 -1.98 0.17 132.00 133.74 1y0t h PRO 119 Ca -0.47 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 1y0t h PRO 119 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1y0t h PRO 119 CO 0.59 0.52 -0.46 0.00 -0.21 0.00 0.00 178.00 178.44 1y0t h ALA 120 N 1.51 0.73 -0.20 -0.75 0.00 -1.96 -2.42 119.26 116.16 1y0t h ALA 120 Ca 0.45 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1y0t h ALA 120 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1y0t h ALA 120 CO -0.28 0.67 -0.51 0.28 0.00 0.00 0.00 179.25 179.41 1y0t h VAL 121 N 0.51 1.32 -0.12 0.00 2.07 -1.61 -2.67 116.25 115.75 1y0t h VAL 121 Ca 0.03 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1y0t h VAL 121 Cb 1.00 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1y0t h VAL 121 CO 0.09 0.54 0.07 -0.74 0.02 0.00 0.00 177.57 177.56 1y0t h HIS 122 N 0.43 0.15 -0.51 1.57 6.17 -0.63 -1.16 115.15 121.16 1y0t h HIS 122 Ca 0.02 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.13 1y0t h HIS 122 Cb 1.04 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.88 1y0t h HIS 122 CO 0.04 0.10 0.29 0.00 0.71 0.00 0.00 177.93 179.08 1y0t h ALA 123 N 1.03 0.65 0.05 5.26 0.00 -1.38 -1.96 119.26 122.91 1y0t h ALA 123 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y0t h ALA 123 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y0t h ALA 123 CO -0.01 -0.02 -0.02 0.77 0.00 0.00 0.00 179.25 179.97 1y0t h SER 124 N 0.58 -0.05 -0.97 0.00 0.02 -1.31 -2.29 113.55 109.53 1y0t h SER 124 Ca 0.21 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1y0t h SER 124 Cb 0.06 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1y0t h SER 124 CO -0.11 0.17 0.63 -0.07 -1.14 0.00 0.00 176.83 176.31 1y0t h LEU 125 N -0.27 1.06 0.00 5.07 3.38 -1.17 -1.18 115.31 122.21 1y0t h LEU 125 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y0t h LEU 125 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1y0t h LEU 125 CO 0.01 0.73 -0.00 -0.78 0.09 0.00 0.00 178.44 178.49 1y0t h ASP 126 N 1.23 -0.00 -0.97 -0.43 3.58 -1.29 0.10 116.42 118.64 1y0t h ASP 126 Ca 0.38 -0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.84 1y0t h ASP 126 Cb -0.02 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 1y0t h ASP 126 CO -0.12 0.03 0.63 0.11 -2.88 0.00 0.00 179.24 177.02 1y0t h LYS 127 N -0.03 1.18 -0.12 0.28 1.57 -1.12 0.73 116.57 119.05 1y0t h LYS 127 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y0t h LYS 127 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1y0t h LYS 127 CO 0.00 0.78 0.04 0.35 -0.57 0.00 0.00 179.45 180.05 1y0t h PHE 128 N 1.21 0.20 -0.43 -1.35 3.57 -0.93 0.12 116.94 119.33 1y0t h PHE 128 Ca 0.39 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 1y0t h PHE 128 Cb 0.03 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1y0t h PHE 128 CO -0.01 0.33 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.20 1y0t h LEU 129 N 0.01 0.80 -0.32 0.59 3.38 -0.45 -0.75 115.31 118.58 1y0t h LEU 129 Ca 0.04 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1y0t h LEU 129 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1y0t h LEU 129 CO -0.00 0.95 0.18 0.00 0.09 0.00 0.00 178.44 179.66 1y0t h ALA 130 N 1.12 0.40 -0.71 1.53 0.00 -0.49 0.70 119.26 121.80 1y0t h ALA 130 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y0t h ALA 130 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1y0t h ALA 130 CO 0.04 -0.18 0.36 0.77 0.00 0.00 0.00 179.25 180.24 1y0t h SER 131 N 0.38 0.92 -0.86 0.00 0.02 -0.35 -0.44 113.55 113.22 1y0t h SER 131 Ca 0.13 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1y0t h SER 131 Cb 0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1y0t h SER 131 CO -0.06 0.78 0.49 0.58 -1.14 0.00 0.00 176.83 177.48 1y0t h VAL 132 N 0.99 1.25 -0.44 2.27 2.07 -0.77 -1.11 116.25 120.52 1y0t h VAL 132 Ca 0.25 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1y0t h VAL 132 Cb 0.10 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1y0t h VAL 132 CO -0.03 0.27 -0.07 0.28 0.02 0.00 0.00 177.57 178.04 1y0t h SER 133 N 1.20 0.82 -0.40 0.57 0.02 -0.01 -1.39 113.55 114.36 1y0t h SER 133 Ca 0.31 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1y0t h SER 133 Cb 0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1y0t h SER 133 CO -0.05 0.97 0.20 0.74 -1.14 0.00 0.00 176.83 177.55 1y0t h THR 134 N 0.65 1.17 -0.18 -2.27 2.02 -0.84 -2.33 112.91 111.14 1y0t h THR 134 Ca 0.11 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1y0t h THR 134 Cb 0.59 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1y0t h THR 134 CO 0.04 0.18 0.10 0.58 0.37 0.00 0.00 175.52 176.78 1y0t h VAL 135 N 0.51 1.10 0.00 3.16 2.07 -1.03 -1.13 116.25 120.93 1y0t h VAL 135 Ca 0.14 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1y0t h VAL 135 Cb 0.10 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1y0t h VAL 135 CO -0.02 0.10 -0.03 -0.07 0.02 0.00 0.00 177.57 177.57 1y0t h LEU 136 N 0.18 0.00 -2.96 2.57 3.38 -1.09 -2.90 115.31 114.50 1y0t h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y0t h LEU 136 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1y0t h LEU 136 CO -0.01 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1y0t n THR 137 N -3.20 1.12 0.20 0.22 -2.24 -0.89 -4.46 114.28 105.03 1y0t n THR 137 Ca -0.01 -1.11 0.06 0.00 -2.27 0.00 0.00 64.05 60.72 1y0t n THR 137 Cb 0.20 0.42 0.40 0.00 -2.10 0.00 0.00 70.33 69.25 1y0t n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y0t h SER 138 N 1.13 0.00 -0.52 3.42 4.64 -0.99 -3.18 113.55 118.04 1y0t h SER 138 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1y0t h SER 138 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1y0t h SER 138 CO 0.01 0.34 0.02 0.29 -0.87 0.00 0.00 176.83 176.62 1y0t n LYS 139 N -3.65 4.44 -0.07 4.77 5.02 -1.26 -4.60 118.16 122.80 1y0t n LYS 139 Ca -0.01 -3.11 -0.02 0.00 -2.02 0.00 0.00 58.31 53.16 1y0t n LYS 139 Cb 0.45 -2.18 0.24 0.00 -0.02 0.00 0.00 35.03 33.51 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 3.47 0.71 0.00 2.13 0.99 -1.87 -3.46 116.97 118.94 1y0t h TYR 140 Ca 0.02 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1y0t h TYR 140 Cb 1.90 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 39.43 1y0t h TYR 140 CO 0.99 0.63 0.00 2.89 -0.00 0.00 0.00 178.16 182.68