#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a00 s LEU 2 N 0.00 4.13 0.69 7.52 1.43 -1.26 -5.02 118.68 126.17 1a00 s LEU 2 Ca 0.00 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 1a00 s LEU 2 Cb 0.00 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 43.05 1a00 s LEU 2 CO 0.00 -0.47 0.99 -0.94 0.23 0.00 0.00 176.35 176.16 1a00 s SER 3 N 1.23 4.76 0.34 2.29 1.04 -1.26 -4.88 113.70 117.22 1a00 s SER 3 Ca 0.37 0.28 0.06 0.00 0.48 0.00 0.00 55.95 57.14 1a00 s SER 3 Cb -0.16 -0.91 0.73 0.00 0.10 0.00 0.00 66.02 65.78 1a00 s SER 3 CO 0.10 -1.60 1.90 -0.65 0.98 0.00 0.00 173.24 173.96 1a00 h PRO 4 N -0.53 0.77 -0.30 4.02 0.11 -1.99 -0.77 132.00 133.31 1a00 h PRO 4 Ca -0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1a00 h PRO 4 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1a00 h PRO 4 CO 0.56 0.51 0.02 0.00 -0.21 0.00 0.00 178.00 178.87 1a00 h ALA 5 N 1.58 0.40 -0.57 -0.75 0.00 -2.00 -2.05 119.26 115.88 1a00 h ALA 5 Ca 0.40 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1a00 h ALA 5 Cb 0.49 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1a00 h ALA 5 CO -0.17 0.12 0.29 -0.44 0.00 0.00 0.00 179.25 179.05 1a00 h ASP 6 N 0.32 0.40 -0.43 0.00 3.32 -1.60 -1.63 116.42 116.80 1a00 h ASP 6 Ca 0.09 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1a00 h ASP 6 Cb 0.40 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1a00 h ASP 6 CO 0.01 0.27 0.02 0.11 -1.72 0.00 0.00 179.24 177.93 1a00 h LYS 7 N 0.54 0.82 -0.40 3.56 1.57 -1.02 -0.63 116.57 121.00 1a00 h LYS 7 Ca 0.26 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1a00 h LYS 7 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1a00 h LYS 7 CO -0.18 0.81 -0.08 1.15 -0.57 0.00 0.00 179.45 180.57 1a00 h THR 8 N 0.77 1.27 -0.42 -0.16 2.02 -1.07 -2.07 112.91 113.26 1a00 h THR 8 Ca 0.15 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1a00 h THR 8 Cb 0.44 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1a00 h THR 8 CO 0.02 0.39 0.28 0.78 0.37 0.00 0.00 175.52 177.35 1a00 h ASN 9 N 0.58 0.48 -0.05 4.18 2.35 -0.95 -1.42 115.58 120.75 1a00 h ASN 9 Ca 0.10 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1a00 h ASN 9 Cb 0.60 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1a00 h ASN 9 CO 0.04 0.35 0.00 0.58 -1.65 0.00 0.00 177.43 176.75 1a00 h VAL 10 N 0.57 1.24 -0.85 2.81 2.07 -1.10 -1.06 116.25 119.92 1a00 h VAL 10 Ca 0.15 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1a00 h VAL 10 Cb -0.06 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1a00 h VAL 10 CO -0.03 0.20 0.53 0.11 0.02 0.00 0.00 177.57 178.40 1a00 h LYS 11 N -0.18 0.95 0.88 1.57 1.57 -1.31 0.37 116.57 120.40 1a00 h LYS 11 Ca 0.02 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1a00 h LYS 11 Cb 0.31 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1a00 h LYS 11 CO 0.00 0.63 -0.42 0.00 -0.57 0.00 0.00 179.45 179.09 1a00 h ALA 12 N 1.40 -1.18 -0.11 3.86 0.00 -1.26 0.56 119.26 122.53 1a00 h ALA 12 Ca 0.37 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1a00 h ALA 12 Cb 0.16 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1a00 h ALA 12 CO -0.17 -1.16 -0.19 0.00 0.00 0.00 0.00 179.25 177.73 1a00 h ALA 13 N -1.06 -0.15 0.00 0.00 0.00 -0.88 -1.48 119.26 115.69 1a00 h ALA 13 Ca -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1a00 h ALA 13 Cb 0.90 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1a00 h ALA 13 CO 0.20 -0.65 -0.20 2.35 0.00 0.00 0.00 179.25 180.94 1a00 h TRP 14 N -0.25 0.00 -0.60 0.00 2.91 -0.19 -1.89 115.95 115.93 1a00 h TRP 14 Ca 0.09 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.03 1a00 h TRP 14 Cb 0.39 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 1a00 h TRP 14 CO -0.29 0.20 0.06 0.78 -1.03 0.00 0.00 178.44 178.16 1a00 h GLY 15 N 1.28 1.08 1.72 2.65 0.00 0.11 -2.18 103.07 107.74 1a00 h GLY 15 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1a00 h GLY 15 CO 0.03 0.68 -0.22 1.70 0.00 0.00 0.00 176.54 178.72 1a00 h LYS 16 N 0.94 0.33 -0.86 4.80 3.11 -0.54 -2.55 116.57 121.80 1a00 h LYS 16 Ca 0.18 -0.11 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1a00 h LYS 16 Cb 0.46 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.62 1a00 h LYS 16 CO 0.02 0.54 0.45 0.28 -2.81 0.00 0.00 179.45 177.92 1a00 h VAL 17 N 0.30 1.25 0.00 2.00 2.07 -0.95 -3.45 116.25 117.48 1a00 h VAL 17 Ca 0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1a00 h VAL 17 Cb 0.56 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1a00 h VAL 17 CO 0.04 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1a00 n GLY 18 N -1.10 2.38 0.00 2.17 0.00 -0.96 -0.53 105.19 107.14 1a00 n GLY 18 Ca 0.09 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.51 1a00 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a00 n ALA 19 N 10.36 2.04 1.27 4.61 0.00 -1.26 -3.29 120.51 134.25 1a00 n ALA 19 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1a00 n ALA 19 Cb 0.00 -1.32 0.39 0.00 0.00 0.00 0.00 19.45 18.53 1a00 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a00 n HIS 20 N -1.27 0.08 -0.24 0.00 -0.00 0.31 -4.57 115.22 109.52 1a00 n HIS 20 Ca 0.09 -0.04 0.01 0.00 -0.00 0.00 0.00 57.72 57.79 1a00 n HIS 20 Cb 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.22 1a00 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a00 h ALA 21 N 4.37 0.49 -0.02 -1.41 0.00 -1.66 0.13 119.26 121.15 1a00 h ALA 21 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1a00 h ALA 21 Cb 0.62 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1a00 h ALA 21 CO 0.00 -0.42 -0.43 0.78 0.00 0.00 0.00 179.25 179.18 1a00 h GLY 22 N 0.01 0.05 1.36 0.00 0.00 -1.83 0.22 103.07 102.88 1a00 h GLY 22 Ca 0.34 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.42 1a00 h GLY 22 CO -0.71 0.04 -0.72 -2.09 0.00 0.00 0.00 176.54 173.07 1a00 h GLU 23 N 0.04 0.64 -0.22 4.80 4.81 -1.46 -1.69 114.58 121.50 1a00 h GLU 23 Ca 0.00 -0.50 -0.21 0.00 -0.13 0.00 0.00 59.36 58.53 1a00 h GLU 23 Cb 0.78 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1a00 h GLU 23 CO 0.06 1.12 -0.66 1.88 -0.73 0.00 0.00 179.01 180.67 1a00 h TYR 24 N 0.45 1.10 -0.61 0.92 -1.99 -0.56 -2.44 116.97 113.84 1a00 h TYR 24 Ca -0.03 -0.44 -0.03 0.00 2.00 0.00 0.00 58.73 60.23 1a00 h TYR 24 Cb 1.32 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 1a00 h TYR 24 CO 0.07 1.27 0.26 0.78 -0.00 0.00 0.00 178.16 180.54 1a00 h GLY 25 N 0.61 0.95 1.02 3.88 0.00 -0.94 -0.02 103.07 108.57 1a00 h GLY 25 Ca -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1a00 h GLY 25 CO 0.14 0.47 0.45 0.00 0.00 0.00 0.00 176.54 177.61 1a00 h ALA 26 N 1.10 1.04 -0.35 3.60 0.00 -1.27 -2.19 119.26 121.20 1a00 h ALA 26 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a00 h ALA 26 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a00 h ALA 26 CO -0.02 0.55 0.01 1.49 0.00 0.00 0.00 179.25 181.28 1a00 h GLU 27 N 1.13 0.61 -0.65 0.00 4.81 -1.11 -1.31 114.58 118.06 1a00 h GLU 27 Ca 0.29 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1a00 h GLU 27 Cb 0.02 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 1a00 h GLU 27 CO -0.05 0.72 0.33 0.00 -0.73 0.00 0.00 179.01 179.28 1a00 h ALA 28 N 0.87 0.87 -0.26 2.92 0.00 -0.93 0.11 119.26 122.84 1a00 h ALA 28 Ca 0.10 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a00 h ALA 28 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1a00 h ALA 28 CO 0.02 -0.04 0.02 -0.07 0.00 0.00 0.00 179.25 179.17 1a00 h LEU 29 N 0.59 0.43 -0.99 0.00 3.38 -1.01 -0.90 115.31 116.81 1a00 h LEU 29 Ca 0.31 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1a00 h LEU 29 Cb 0.27 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1a00 h LEU 29 CO -0.22 0.61 0.65 -0.08 0.09 0.00 0.00 178.44 179.49 1a00 h GLU 30 N 0.23 1.29 -0.61 1.13 4.81 -0.91 0.88 114.58 121.41 1a00 h GLU 30 Ca 0.08 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1a00 h GLU 30 Cb 0.38 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1a00 h GLU 30 CO 0.01 0.85 0.23 0.00 -0.73 0.00 0.00 179.01 179.38 1a00 h ARG 31 N 1.33 0.89 -0.19 1.92 3.08 -0.49 -2.38 114.38 118.54 1a00 h ARG 31 Ca 0.36 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 1a00 h ARG 31 Cb -0.15 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 1a00 h ARG 31 CO -0.08 0.74 -0.20 1.98 -1.07 0.00 0.00 179.97 181.34 1a00 h MET 32 N 0.88 0.48 -0.41 0.04 4.05 0.14 -1.95 114.93 118.16 1a00 h MET 32 Ca 0.21 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1a00 h MET 32 Cb 0.19 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1a00 h MET 32 CO -0.02 0.83 0.15 0.74 0.23 0.00 0.00 176.91 178.84 1a00 h PHE 33 N 0.14 0.58 0.18 1.39 0.04 -0.70 0.00 116.94 118.57 1a00 h PHE 33 Ca 0.03 -0.02 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 1a00 h PHE 33 Cb 0.74 -0.18 0.03 0.00 2.20 0.00 0.00 35.95 38.74 1a00 h PHE 33 CO 0.08 0.46 -1.15 -0.07 -0.60 0.00 0.00 178.31 177.04 1a00 h LEU 34 N 0.58 0.70 0.11 1.54 3.38 -1.41 -3.28 115.31 116.93 1a00 h LEU 34 Ca 0.14 -0.91 -0.28 0.00 0.09 0.00 0.00 57.88 56.93 1a00 h LEU 34 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1a00 h LEU 34 CO -0.01 1.55 -1.32 0.28 0.09 0.00 0.00 178.44 179.03 1a00 h SER 35 N -0.04 0.35 -2.69 -0.43 0.02 -1.28 -3.40 113.55 106.08 1a00 h SER 35 Ca -0.19 -0.41 -0.60 0.00 -0.84 0.00 0.00 61.79 59.74 1a00 h SER 35 Cb 1.89 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.91 1a00 h SER 35 CO 0.22 1.33 -0.76 0.49 -1.14 0.00 0.00 176.83 176.97 1a00 n PHE 36 N -3.47 1.42 0.19 3.45 3.72 -0.02 -4.99 117.46 117.76 1a00 n PHE 36 Ca -0.10 -3.86 0.18 0.00 -0.05 0.00 0.00 57.45 53.62 1a00 n PHE 36 Cb 1.02 -0.25 0.81 0.00 -0.94 0.00 0.00 39.48 40.12 1a00 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a00 h PRO 37 N 5.35 0.00 0.00 -1.08 0.11 -1.73 -1.57 132.00 133.08 1a00 h PRO 37 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1a00 h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1a00 h PRO 37 CO 0.57 0.00 -0.03 1.79 -0.21 0.00 0.00 178.00 180.13 1a00 h THR 38 N 0.00 0.09 0.00 -1.15 1.35 -1.91 -2.32 112.91 108.97 1a00 h THR 38 Ca 0.11 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1a00 h THR 38 Cb 0.75 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1a00 h THR 38 CO -0.00 0.03 0.00 0.71 -0.25 0.00 0.00 175.52 176.00 1a00 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.61 -2.57 112.91 116.91 1a00 h THR 39 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1a00 h THR 39 Cb 0.42 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1a00 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1a00 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.60 -3.07 116.57 118.19 1a00 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a00 h LYS 40 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1a00 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1a00 h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.64 -1.10 112.91 111.35 1a00 h THR 41 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1a00 h THR 41 Cb 0.45 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1a00 h THR 41 CO 0.00 0.00 -0.57 -1.22 -0.25 0.00 0.00 175.52 173.48 1a00 n TYR 42 N -2.90 0.24 -2.72 4.73 4.01 -1.16 -4.39 117.16 114.96 1a00 n TYR 42 Ca -0.02 0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1a00 n TYR 42 Cb 0.12 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 38.71 1a00 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a00 n PHE 43 N -1.78 2.74 0.27 -0.72 3.01 -0.42 -4.86 117.46 115.71 1a00 n PHE 43 Ca 0.04 -3.36 0.15 0.00 1.01 0.00 0.00 57.45 55.29 1a00 n PHE 43 Cb 0.38 -0.29 0.65 0.00 -0.01 0.00 0.00 39.48 40.22 1a00 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a00 h PRO 44 N 2.82 0.00 -0.01 -1.08 0.13 -1.77 -2.80 132.00 129.29 1a00 h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1a00 h PRO 44 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a00 h PRO 44 CO 0.73 0.07 -0.01 -2.39 -0.23 0.00 0.00 178.00 176.17 1a00 n HIS 45 N -3.22 0.00 -4.05 1.56 1.44 -1.26 -4.92 115.22 104.78 1a00 n HIS 45 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1a00 n HIS 45 Cb 0.32 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.36 1a00 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a00 s PHE 46 N -2.03 3.22 -0.39 -1.40 0.40 -1.06 -5.08 117.98 111.66 1a00 s PHE 46 Ca 0.38 0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.61 1a00 s PHE 46 Cb 0.21 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1a00 s PHE 46 CO 0.35 0.53 0.63 0.34 0.70 0.00 0.00 175.22 177.77 1a00 s ASP 47 N -2.32 6.38 0.00 1.36 2.15 -1.26 -4.91 116.67 118.07 1a00 s ASP 47 Ca 0.29 -0.06 0.20 0.00 0.43 0.00 0.00 52.55 53.41 1a00 s ASP 47 Cb -0.12 -2.32 0.55 0.00 -0.30 0.00 0.00 42.92 40.72 1a00 s ASP 47 CO 0.21 -0.66 1.46 0.18 -0.17 0.00 0.00 175.17 176.19 1a00 n LEU 48 N 6.12 3.28 -4.74 -1.34 4.77 -1.26 -4.50 117.00 119.33 1a00 n LEU 48 Ca -0.02 -1.61 -0.36 0.00 -0.03 0.00 0.00 56.01 54.00 1a00 n LEU 48 Cb 0.48 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1a00 n LEU 48 CO 0.51 0.80 0.84 -0.94 -1.33 0.00 0.00 177.39 177.27 1a00 s SER 49 N -1.08 4.72 0.03 -1.43 1.04 -1.26 -4.84 113.70 110.89 1a00 s SER 49 Ca 0.41 2.42 -0.36 0.00 0.48 0.00 0.00 55.95 58.90 1a00 s SER 49 Cb 0.22 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.59 1a00 s SER 49 CO 0.29 -1.91 1.55 1.57 0.98 0.00 0.00 173.24 175.71 1a00 n HIS 50 N -2.06 1.95 -0.97 5.02 -0.00 -1.26 -1.09 115.22 116.80 1a00 n HIS 50 Ca 0.14 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.74 1a00 n HIS 50 Cb 0.49 -2.46 0.00 0.00 -0.12 0.00 0.00 29.99 27.90 1a00 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a00 n GLY 51 N 3.31 0.56 3.54 1.57 0.00 -1.26 -4.98 105.19 107.92 1a00 n GLY 51 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1a00 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a00 n SER 52 N -0.12 0.41 -0.12 1.61 3.41 -0.25 -4.83 113.62 113.73 1a00 n SER 52 Ca 0.00 1.01 -0.05 0.00 -0.26 0.00 0.00 58.87 59.57 1a00 n SER 52 Cb 0.06 -1.24 0.14 0.00 -0.26 0.00 0.00 64.21 62.90 1a00 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a00 h ALA 53 N 1.31 1.05 -0.55 7.33 0.00 -1.89 -2.17 119.26 124.34 1a00 h ALA 53 Ca -0.42 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1a00 h ALA 53 Cb 1.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1a00 h ALA 53 CO 0.55 0.59 0.13 1.96 0.00 0.00 0.00 179.25 182.49 1a00 h GLN 54 N 0.77 0.86 -0.31 0.00 4.20 -1.91 -1.82 115.11 116.90 1a00 h GLN 54 Ca 0.15 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1a00 h GLN 54 Cb 0.49 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1a00 h GLN 54 CO 0.02 0.77 -0.09 0.28 -0.67 0.00 0.00 178.83 179.14 1a00 h VAL 55 N 0.82 1.28 -0.29 -0.54 2.07 -1.71 -0.25 116.25 117.64 1a00 h VAL 55 Ca 0.18 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1a00 h VAL 55 Cb 0.31 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1a00 h VAL 55 CO -0.00 0.37 0.19 0.11 0.02 0.00 0.00 177.57 178.26 1a00 h LYS 56 N 0.37 0.39 0.36 1.57 1.57 -1.32 0.21 116.57 119.72 1a00 h LYS 56 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1a00 h LYS 56 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1a00 h LYS 56 CO 0.03 0.27 -0.19 0.78 -0.57 0.00 0.00 179.45 179.78 1a00 h GLY 57 N 0.39 -0.53 0.85 3.86 0.00 -1.24 -1.87 103.07 104.54 1a00 h GLY 57 Ca 0.11 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.67 1a00 h GLY 57 CO -0.02 -0.19 0.49 0.84 0.00 0.00 0.00 176.54 177.65 1a00 h HIS 58 N -0.51 0.92 -0.80 5.60 -0.00 -0.94 -2.16 115.15 117.26 1a00 h HIS 58 Ca -0.05 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1a00 h HIS 58 Cb 0.40 -0.30 -0.07 0.00 -0.00 0.00 0.00 27.41 27.43 1a00 h HIS 58 CO -0.06 0.52 0.45 0.78 -0.00 0.00 0.00 177.93 179.62 1a00 h GLY 59 N 0.95 1.22 1.04 5.26 0.00 -0.35 -0.96 103.07 110.23 1a00 h GLY 59 Ca 0.31 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1a00 h GLY 59 CO -0.12 0.13 0.07 1.70 0.00 0.00 0.00 176.54 178.32 1a00 h LYS 60 N 0.77 0.99 -0.71 4.80 3.64 -0.73 -2.30 116.57 123.03 1a00 h LYS 60 Ca 0.38 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1a00 h LYS 60 Cb 0.33 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1a00 h LYS 60 CO -0.24 0.95 0.34 0.87 -2.27 0.00 0.00 179.45 179.10 1a00 h LYS 61 N 0.89 1.03 -0.53 1.90 1.57 -0.68 -0.32 116.57 120.44 1a00 h LYS 61 Ca 0.18 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1a00 h LYS 61 Cb 0.46 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1a00 h LYS 61 CO 0.02 0.82 0.17 0.28 -0.57 0.00 0.00 179.45 180.16 1a00 h VAL 62 N 1.00 1.23 -0.24 0.50 2.07 -1.27 -1.99 116.25 117.55 1a00 h VAL 62 Ca 0.24 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1a00 h VAL 62 Cb 0.13 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1a00 h VAL 62 CO -0.03 0.29 0.12 0.00 0.02 0.00 0.00 177.57 177.97 1a00 h ALA 63 N 1.03 0.31 -0.76 1.67 0.00 -1.05 -1.73 119.26 118.73 1a00 h ALA 63 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a00 h ALA 63 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1a00 h ALA 63 CO -0.01 -0.14 0.43 -0.44 0.00 0.00 0.00 179.25 179.10 1a00 h ASP 64 N 0.26 0.93 -0.55 0.00 3.32 -0.97 0.12 116.42 119.53 1a00 h ASP 64 Ca 0.08 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1a00 h ASP 64 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1a00 h ASP 64 CO -0.01 0.74 -0.03 0.00 -1.72 0.00 0.00 179.24 178.22 1a00 h ALA 65 N 1.42 0.86 -0.30 3.45 0.00 -0.90 -1.70 119.26 122.09 1a00 h ALA 65 Ca 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1a00 h ALA 65 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a00 h ALA 65 CO -0.05 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 1a00 h LEU 66 N 0.93 0.44 -0.43 0.00 3.38 -0.73 -0.32 115.31 118.58 1a00 h LEU 66 Ca 0.16 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1a00 h LEU 66 Cb 0.57 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1a00 h LEU 66 CO 0.03 0.52 0.03 0.74 0.09 0.00 0.00 178.44 179.85 1a00 h THR 67 N 0.33 0.70 -0.52 0.22 2.02 -0.77 0.13 112.91 115.02 1a00 h THR 67 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1a00 h THR 67 Cb 0.23 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1a00 h THR 67 CO -0.00 0.03 0.34 -1.13 0.37 0.00 0.00 175.52 175.12 1a00 h ASN 68 N 0.14 0.61 -0.54 4.18 -1.24 -1.10 -1.32 115.58 116.30 1a00 h ASN 68 Ca 0.21 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.21 1a00 h ASN 68 Cb 0.30 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1a00 h ASN 68 CO -0.33 0.46 0.34 0.00 -1.29 0.00 0.00 177.43 176.61 1a00 h ALA 69 N 1.18 0.69 -0.62 1.57 0.00 0.29 0.29 119.26 122.67 1a00 h ALA 69 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a00 h ALA 69 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1a00 h ALA 69 CO -0.04 0.08 0.38 0.28 0.00 0.00 0.00 179.25 179.95 1a00 h VAL 70 N 0.68 1.18 0.00 0.00 2.07 -0.35 -0.53 116.25 119.30 1a00 h VAL 70 Ca 0.21 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1a00 h VAL 70 Cb -0.02 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1a00 h VAL 70 CO -0.08 0.18 -0.14 0.00 0.02 0.00 0.00 177.57 177.56 1a00 h ALA 71 N 1.20 1.55 -0.70 1.67 0.00 -0.69 -3.09 119.26 119.20 1a00 h ALA 71 Ca 0.22 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 54.50 1a00 h ALA 71 Cb -0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.32 1a00 h ALA 71 CO -0.04 0.17 -0.83 0.72 0.00 0.00 0.00 179.25 179.27 1a00 n HIS 72 N -4.06 2.54 0.03 0.00 8.25 0.04 -4.84 115.22 117.19 1a00 n HIS 72 Ca -0.02 -2.18 0.20 0.00 -0.26 0.00 0.00 57.72 55.45 1a00 n HIS 72 Cb 0.22 -0.33 0.70 0.00 1.12 0.00 0.00 29.99 31.70 1a00 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a00 h VAL 73 N 2.35 0.69 -0.00 1.59 3.04 -1.05 0.18 116.25 123.06 1a00 h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1a00 h VAL 73 Cb 1.50 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1a00 h VAL 73 CO 0.69 0.00 -0.41 0.47 -1.01 0.00 0.00 177.57 177.31 1a00 n ASP 74 N -4.29 0.44 -2.62 3.17 8.00 -1.26 -4.14 116.55 115.85 1a00 n ASP 74 Ca 0.08 -0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 1a00 n ASP 74 Cb 0.57 0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.82 1a00 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a00 n ASP 75 N -1.47 2.21 -0.15 -2.24 2.03 0.57 -4.99 116.55 112.52 1a00 n ASP 75 Ca 0.06 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 1a00 n ASP 75 Cb 0.34 -0.51 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1a00 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a00 h MET 76 N 2.89 0.69 -0.61 -0.67 2.86 -1.56 -0.40 114.93 118.12 1a00 h MET 76 Ca -0.01 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1a00 h MET 76 Cb 1.13 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 1a00 h MET 76 CO 0.57 0.68 0.29 -1.35 1.06 0.00 0.00 176.91 178.16 1a00 h PRO 77 N 0.57 0.51 -0.09 -0.22 0.11 -1.94 0.16 132.00 131.10 1a00 h PRO 77 Ca 0.14 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1a00 h PRO 77 Cb 0.29 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1a00 h PRO 77 CO -0.00 0.34 -0.10 -0.97 -0.21 0.00 0.00 178.00 177.06 1a00 h ASN 78 N 0.53 0.24 -0.99 -2.05 -1.24 -1.94 -2.68 115.58 107.46 1a00 h ASN 78 Ca 0.29 -0.49 0.04 0.00 0.71 0.00 0.00 56.30 56.85 1a00 h ASN 78 Cb 0.27 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.19 1a00 h ASN 78 CO -0.23 0.69 0.64 0.00 -1.29 0.00 0.00 177.43 177.24 1a00 h ALA 79 N 0.56 1.33 -0.73 1.57 0.00 -0.37 -2.45 119.26 119.17 1a00 h ALA 79 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1a00 h ALA 79 Cb 0.62 -0.34 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1a00 h ALA 79 CO 0.02 0.51 0.24 1.28 0.00 0.00 0.00 179.25 181.30 1a00 n LEU 80 N -4.47 6.14 -0.16 0.00 4.77 0.49 -4.64 117.00 119.14 1a00 n LEU 80 Ca 0.14 -3.19 -0.02 0.00 -0.03 0.00 0.00 56.01 52.91 1a00 n LEU 80 Cb 0.12 -0.74 0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1a00 n LEU 80 CO 0.34 0.78 0.85 -1.28 -1.33 0.00 0.00 177.39 176.75 1a00 h SER 81 N 2.91 -0.18 -0.78 -1.43 0.87 -1.07 -1.44 113.55 112.42 1a00 h SER 81 Ca 0.24 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1a00 h SER 81 Cb 2.32 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 64.44 1a00 h SER 81 CO 0.72 -0.06 0.44 0.00 -0.53 0.00 0.00 176.83 177.41 1a00 h ALA 82 N 1.43 1.28 -0.20 6.23 0.00 -1.84 -2.54 119.26 123.62 1a00 h ALA 82 Ca 0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1a00 h ALA 82 Cb 0.37 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a00 h ALA 82 CO -0.40 0.59 -0.66 -0.07 0.00 0.00 0.00 179.25 178.71 1a00 h LEU 83 N 1.10 0.92 -0.56 0.00 3.38 -1.66 -1.95 115.31 116.54 1a00 h LEU 83 Ca 0.28 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1a00 h LEU 83 Cb 0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1a00 h LEU 83 CO -0.05 1.35 0.27 0.28 0.09 0.00 0.00 178.44 180.39 1a00 h SER 84 N 0.53 0.36 0.27 -0.43 0.02 -1.26 0.29 113.55 113.33 1a00 h SER 84 Ca -0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1a00 h SER 84 Cb 1.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1a00 h SER 84 CO 0.14 0.24 -0.13 -0.78 -1.14 0.00 0.00 176.83 175.16 1a00 h ASP 85 N 0.51 -0.31 -0.31 3.07 3.58 -1.43 -0.01 116.42 121.53 1a00 h ASP 85 Ca 0.26 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.68 1a00 h ASP 85 Cb 0.20 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1a00 h ASP 85 CO -0.20 -0.10 -0.02 0.25 -2.88 0.00 0.00 179.24 176.29 1a00 h LEU 86 N -0.50 -0.17 -0.33 2.28 5.85 -1.02 0.49 115.31 121.91 1a00 h LEU 86 Ca -0.04 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1a00 h LEU 86 Cb 0.37 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1a00 h LEU 86 CO 0.06 -0.05 -0.17 0.45 -0.34 0.00 0.00 178.44 178.39 1a00 h HIS 87 N 0.06 0.80 -0.57 1.25 3.86 -0.39 -0.43 115.15 119.73 1a00 h HIS 87 Ca 0.15 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1a00 h HIS 87 Cb 0.21 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1a00 h HIS 87 CO -0.24 0.91 0.03 0.00 0.86 0.00 0.00 177.93 179.49 1a00 h ALA 88 N 0.77 0.77 0.00 2.45 0.00 -0.72 0.30 119.26 122.82 1a00 h ALA 88 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a00 h ALA 88 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a00 h ALA 88 CO 0.05 0.57 -1.13 0.72 0.00 0.00 0.00 179.25 179.47 1a00 n HIS 89 N -4.26 0.00 0.02 0.00 8.25 0.17 -4.57 115.22 114.83 1a00 n HIS 89 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1a00 n HIS 89 Cb 0.32 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 1a00 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a00 n LYS 90 N -1.63 0.06 0.07 -0.41 4.76 -0.24 -4.85 118.16 115.92 1a00 n LYS 90 Ca 0.01 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1a00 n LYS 90 Cb 0.33 -0.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.94 1a00 n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a00 h LEU 91 N -0.11 -0.11 -1.89 -0.35 3.38 -1.43 -3.47 115.31 111.32 1a00 h LEU 91 Ca 0.00 -0.13 -0.41 0.00 0.09 0.00 0.00 57.88 57.43 1a00 h LEU 91 Cb 0.11 0.03 0.07 0.00 0.09 0.00 0.00 40.66 40.95 1a00 h LEU 91 CO 0.00 0.06 -0.84 0.54 0.09 0.00 0.00 178.44 178.30 1a00 n ARG 92 N -5.08 -4.65 -2.71 1.13 3.00 0.11 -4.94 116.66 103.52 1a00 n ARG 92 Ca -0.08 0.63 -0.42 0.00 -0.01 0.00 0.00 57.85 57.97 1a00 n ARG 92 Cb 0.14 -5.18 -0.03 0.00 0.00 0.00 0.00 32.46 27.39 1a00 n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1a00 s VAL 93 N -3.63 4.85 0.27 1.55 1.01 -1.26 -4.99 120.40 118.19 1a00 s VAL 93 Ca 0.05 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.77 1a00 s VAL 93 Cb -0.01 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1a00 s VAL 93 CO 0.81 0.11 1.42 -0.67 0.00 0.00 0.00 175.10 176.77 1a00 n ASP 94 N 4.26 2.98 -0.21 3.32 -0.08 -1.26 -4.86 116.55 120.70 1a00 n ASP 94 Ca 0.07 1.16 0.31 0.00 -1.51 0.00 0.00 54.79 54.81 1a00 n ASP 94 Cb 0.50 -1.47 0.71 0.00 2.34 0.00 0.00 41.12 43.20 1a00 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a00 h PRO 95 N 4.00 0.00 -0.07 -0.67 0.11 -2.00 -2.34 132.00 131.03 1a00 h PRO 95 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1a00 h PRO 95 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1a00 h PRO 95 CO 0.74 0.00 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.10 1a00 h VAL 96 N 0.00 1.08 -0.57 3.15 -1.51 -2.02 -2.76 116.25 113.62 1a00 h VAL 96 Ca 0.47 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.60 1a00 h VAL 96 Cb 2.08 1.07 -0.03 0.00 -2.13 0.00 0.00 31.29 32.28 1a00 h VAL 96 CO -0.00 0.10 0.33 0.78 -1.23 0.00 0.00 177.57 177.55 1a00 h ASN 97 N 0.10 0.68 -0.62 4.19 2.35 -1.78 -1.07 115.58 119.45 1a00 h ASN 97 Ca 0.02 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1a00 h ASN 97 Cb 0.15 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1a00 h ASN 97 CO 0.01 0.54 0.40 -0.26 -1.65 0.00 0.00 177.43 176.46 1a00 h PHE 98 N 0.79 0.79 -0.18 1.19 -1.00 -1.67 -0.68 116.94 116.18 1a00 h PHE 98 Ca 0.20 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.86 1a00 h PHE 98 Cb -0.00 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 1a00 h PHE 98 CO 0.00 0.51 -0.46 -0.22 -1.61 0.00 0.00 178.31 176.54 1a00 h LYS 99 N 0.85 0.46 -0.21 1.51 3.11 -1.31 -1.33 116.57 119.64 1a00 h LYS 99 Ca 0.23 -0.25 -0.05 0.00 -2.81 0.00 0.00 60.65 57.76 1a00 h LYS 99 Cb -0.07 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1a00 h LYS 99 CO -0.05 0.82 -0.08 -0.07 -2.81 0.00 0.00 179.45 177.27 1a00 h LEU 100 N 0.37 0.43 -0.60 5.20 3.38 -1.05 -2.46 115.31 120.58 1a00 h LEU 100 Ca 0.02 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1a00 h LEU 100 Cb 0.95 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1a00 h LEU 100 CO 0.08 0.73 0.07 0.25 0.09 0.00 0.00 178.44 179.66 1a00 h LEU 101 N 0.13 0.98 -0.62 1.67 5.85 -1.07 -2.46 115.31 119.79 1a00 h LEU 101 Ca 0.05 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1a00 h LEU 101 Cb 0.55 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1a00 h LEU 101 CO 0.03 1.01 0.36 0.28 -0.34 0.00 0.00 178.44 179.77 1a00 h SER 102 N 0.91 0.56 -0.05 1.25 0.02 -1.16 -0.78 113.55 114.30 1a00 h SER 102 Ca 0.18 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1a00 h SER 102 Cb 0.46 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1a00 h SER 102 CO 0.02 0.38 -0.08 -0.74 -1.14 0.00 0.00 176.83 175.26 1a00 h HIS 103 N 0.69 -0.20 0.00 3.45 -0.00 -1.31 -1.72 115.15 116.06 1a00 h HIS 103 Ca 0.26 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.62 1a00 h HIS 103 Cb 0.10 0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1a00 h HIS 103 CO -0.07 -0.13 -0.14 0.00 -0.00 0.00 0.00 177.93 177.60 1a00 h LEU 105 N 0.00 0.67 -0.65 0.00 5.85 -0.59 -2.47 115.31 118.12 1a00 h LEU 105 Ca -0.00 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1a00 h LEU 105 Cb 0.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1a00 h LEU 105 CO 0.02 1.00 0.19 -0.07 -0.34 0.00 0.00 178.44 179.24 1a00 h LEU 106 N 0.34 0.96 -0.29 2.25 3.38 -1.01 -1.26 115.31 119.68 1a00 h LEU 106 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1a00 h LEU 106 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1a00 h LEU 106 CO 0.06 0.92 0.09 0.58 0.09 0.00 0.00 178.44 180.18 1a00 h VAL 107 N 0.95 1.20 -0.20 1.22 2.07 -1.31 -0.57 116.25 119.60 1a00 h VAL 107 Ca 0.21 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1a00 h VAL 107 Cb 0.31 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1a00 h VAL 107 CO -0.00 0.22 0.10 0.74 0.02 0.00 0.00 177.57 178.65 1a00 h THR 108 N 0.31 1.00 -0.59 2.57 2.02 -1.22 -1.58 112.91 115.43 1a00 h THR 108 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1a00 h THR 108 Cb 0.25 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1a00 h THR 108 CO -0.00 0.04 0.37 -0.07 0.37 0.00 0.00 175.52 176.23 1a00 h LEU 109 N 0.22 0.68 -0.69 2.58 3.38 -1.09 -2.61 115.31 117.79 1a00 h LEU 109 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1a00 h LEU 109 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1a00 h LEU 109 CO -0.06 0.51 0.39 0.00 0.09 0.00 0.00 178.44 179.38 1a00 h ALA 110 N 1.20 0.88 0.00 1.53 0.00 -0.83 0.14 119.26 122.17 1a00 h ALA 110 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a00 h ALA 110 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1a00 h ALA 110 CO -0.04 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1a00 h ALA 111 N 1.20 1.00 0.00 0.00 0.00 -1.03 -3.31 119.26 117.12 1a00 h ALA 111 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a00 h ALA 111 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a00 h ALA 111 CO -0.04 0.00 -1.30 0.72 0.00 0.00 0.00 179.25 178.62 1a00 n HIS 112 N -2.97 0.00 -3.29 0.00 -0.00 -0.99 -4.81 115.22 103.16 1a00 n HIS 112 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1a00 n HIS 112 Cb 0.27 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 1a00 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a00 n LEU 113 N -1.74 4.41 -0.07 2.41 4.77 0.45 -4.92 117.00 122.32 1a00 n LEU 113 Ca -0.01 -5.42 -0.07 0.00 -0.03 0.00 0.00 56.01 50.47 1a00 n LEU 113 Cb 0.19 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1a00 n LEU 113 CO 0.14 2.01 0.84 1.55 -1.33 0.00 0.00 177.39 180.60 1a00 h PRO 114 N 4.32 0.04 -0.31 3.23 0.13 -1.84 -2.01 132.00 135.57 1a00 h PRO 114 Ca 0.20 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1a00 h PRO 114 Cb 0.63 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1a00 h PRO 114 CO 0.94 0.03 -0.13 0.00 -0.23 0.00 0.00 178.00 178.61 1a00 h ALA 115 N 1.25 0.43 0.00 -0.56 0.00 -1.95 -3.34 119.26 115.09 1a00 h ALA 115 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1a00 h ALA 115 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1a00 h ALA 115 CO -0.25 0.31 -0.59 0.93 0.00 0.00 0.00 179.25 179.65 1a00 h GLU 116 N 0.39 0.00 -3.82 0.00 3.07 -1.96 -3.41 114.58 108.85 1a00 h GLU 116 Ca 0.07 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.26 1a00 h GLU 116 Cb 0.65 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1a00 h GLU 116 CO 0.04 0.46 3.12 0.34 -1.40 0.00 0.00 179.01 181.57 1a00 n PHE 117 N -3.18 2.84 -2.11 4.33 7.35 -0.76 -4.75 117.46 121.18 1a00 n PHE 117 Ca 0.01 -2.73 -0.28 0.00 -0.76 0.00 0.00 57.45 53.69 1a00 n PHE 117 Cb 0.74 -2.33 0.05 0.00 0.35 0.00 0.00 39.48 38.29 1a00 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a00 s THR 118 N 3.30 3.01 0.30 -2.13 -4.23 -1.26 -4.80 115.64 109.83 1a00 s THR 118 Ca 0.53 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1a00 s THR 118 Cb 0.15 -3.28 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1a00 s THR 118 CO -0.04 -0.33 1.91 -0.65 -0.54 0.00 0.00 174.62 174.97 1a00 h PRO 119 N -0.57 0.99 -0.36 3.99 0.11 -1.98 0.37 132.00 134.55 1a00 h PRO 119 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1a00 h PRO 119 Cb 1.28 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1a00 h PRO 119 CO 0.62 0.65 0.03 0.00 -0.21 0.00 0.00 178.00 179.10 1a00 h ALA 120 N 1.51 0.48 -0.42 -0.75 0.00 -1.96 -0.58 119.26 117.55 1a00 h ALA 120 Ca 0.38 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1a00 h ALA 120 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a00 h ALA 120 CO -0.14 0.22 -0.32 0.28 0.00 0.00 0.00 179.25 179.29 1a00 h VAL 121 N 0.44 1.27 -0.38 0.00 2.07 -1.65 -1.97 116.25 116.04 1a00 h VAL 121 Ca 0.11 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1a00 h VAL 121 Cb 0.41 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1a00 h VAL 121 CO 0.01 0.50 0.17 -0.74 0.02 0.00 0.00 177.57 177.54 1a00 h HIS 122 N 0.79 0.31 -0.69 1.57 6.17 -0.15 0.15 115.15 123.30 1a00 h HIS 122 Ca 0.08 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 1a00 h HIS 122 Cb 0.91 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.72 1a00 h HIS 122 CO 0.06 0.16 0.28 0.00 0.71 0.00 0.00 177.93 179.14 1a00 h ALA 123 N 1.21 0.90 -0.18 5.26 0.00 -0.94 -1.70 119.26 123.81 1a00 h ALA 123 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a00 h ALA 123 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1a00 h ALA 123 CO -0.13 0.52 0.07 0.77 0.00 0.00 0.00 179.25 180.48 1a00 h SER 124 N 0.98 0.25 -0.57 0.00 0.02 -0.88 -1.35 113.55 112.00 1a00 h SER 124 Ca 0.23 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1a00 h SER 124 Cb 0.20 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1a00 h SER 124 CO -0.02 0.36 0.21 -0.07 -1.14 0.00 0.00 176.83 176.17 1a00 h LEU 125 N 0.13 0.81 -0.25 5.07 3.38 -0.61 0.19 115.31 124.02 1a00 h LEU 125 Ca 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1a00 h LEU 125 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1a00 h LEU 125 CO -0.00 0.77 0.16 -0.78 0.09 0.00 0.00 178.44 178.68 1a00 h ASP 126 N 0.79 0.28 -0.73 -0.43 3.58 -1.18 -0.98 116.42 117.76 1a00 h ASP 126 Ca 0.19 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1a00 h ASP 126 Cb 0.23 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1a00 h ASP 126 CO -0.01 0.20 0.28 0.11 -2.88 0.00 0.00 179.24 176.94 1a00 h LYS 127 N 0.34 1.09 -0.75 0.28 1.57 -1.02 -1.99 116.57 116.09 1a00 h LYS 127 Ca 0.09 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a00 h LYS 127 Cb -0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1a00 h LYS 127 CO -0.03 0.91 0.42 0.35 -0.57 0.00 0.00 179.45 180.53 1a00 h PHE 128 N 1.05 1.03 -0.05 -1.35 3.57 -0.25 -2.17 116.94 118.76 1a00 h PHE 128 Ca 0.24 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 1a00 h PHE 128 Cb 0.23 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1a00 h PHE 128 CO 0.02 0.72 -0.60 -0.07 -2.23 0.00 0.00 178.31 176.14 1a00 h LEU 129 N 1.04 0.20 -0.64 0.59 3.38 -1.04 -1.65 115.31 117.20 1a00 h LEU 129 Ca 0.27 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1a00 h LEU 129 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1a00 h LEU 129 CO -0.04 0.76 -0.36 0.00 0.09 0.00 0.00 178.44 178.89 1a00 h ALA 130 N 1.25 0.82 -0.45 1.53 0.00 -1.21 -1.05 119.26 120.15 1a00 h ALA 130 Ca -0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1a00 h ALA 130 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1a00 h ALA 130 CO 0.09 0.64 0.02 0.77 0.00 0.00 0.00 179.25 180.77 1a00 h SER 131 N 0.56 0.77 -0.48 0.00 0.02 -1.13 -1.60 113.55 111.69 1a00 h SER 131 Ca 0.06 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1a00 h SER 131 Cb 0.87 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1a00 h SER 131 CO 0.08 0.88 0.29 0.58 -1.14 0.00 0.00 176.83 177.51 1a00 h VAL 132 N 0.64 1.15 -0.90 2.27 2.07 -1.22 -1.86 116.25 118.40 1a00 h VAL 132 Ca 0.13 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1a00 h VAL 132 Cb 0.47 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1a00 h VAL 132 CO 0.02 0.15 0.58 0.28 0.02 0.00 0.00 177.57 178.62 1a00 h SER 133 N 0.64 0.96 -0.31 0.57 0.02 -0.96 -0.36 113.55 114.11 1a00 h SER 133 Ca 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1a00 h SER 133 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1a00 h SER 133 CO -0.03 0.66 0.11 0.74 -1.14 0.00 0.00 176.83 177.17 1a00 h THR 134 N 1.13 1.19 0.14 -2.27 2.02 -1.09 -1.90 112.91 112.13 1a00 h THR 134 Ca 0.36 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1a00 h THR 134 Cb 0.01 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1a00 h THR 134 CO -0.12 0.21 -0.07 0.58 0.37 0.00 0.00 175.52 176.49 1a00 h VAL 135 N 0.35 0.90 -0.10 3.16 2.07 -1.00 -1.54 116.25 120.10 1a00 h VAL 135 Ca 0.10 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1a00 h VAL 135 Cb 0.22 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1a00 h VAL 135 CO -0.01 0.04 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1a00 h LEU 136 N -0.25 0.00 -2.95 2.57 3.38 -0.89 -1.93 115.31 115.24 1a00 h LEU 136 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a00 h LEU 136 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1a00 h LEU 136 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1a00 n THR 137 N -3.98 1.25 0.33 0.22 -2.24 -0.73 -4.46 114.28 104.67 1a00 n THR 137 Ca -0.00 -1.16 0.15 0.00 -2.27 0.00 0.00 64.05 60.77 1a00 n THR 137 Cb 0.21 0.36 0.63 0.00 -2.10 0.00 0.00 70.33 69.43 1a00 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a00 h SER 138 N 2.14 0.00 -0.44 3.42 4.64 -0.44 -2.81 113.55 120.06 1a00 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a00 h SER 138 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1a00 h SER 138 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1a00 n LYS 139 N -2.71 3.33 -0.32 4.77 5.02 -1.26 -4.66 118.16 122.33 1a00 n LYS 139 Ca 0.01 -2.68 -0.02 0.00 -2.02 0.00 0.00 58.31 53.60 1a00 n LYS 139 Cb 0.25 -1.74 0.13 0.00 -0.02 0.00 0.00 35.03 33.65 1a00 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a00 h TYR 140 N 2.80 1.17 0.00 2.13 -1.99 -1.81 -3.46 116.97 115.81 1a00 h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a00 h TYR 140 Cb 1.30 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 39.65 1a00 h TYR 140 CO 0.56 0.78 0.00 2.89 -0.00 0.00 0.00 178.16 182.40