#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a01 s LEU 2 N 0.00 4.09 0.97 7.52 1.43 -1.26 -5.03 118.68 126.39 1a01 s LEU 2 Ca 0.00 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.99 1a01 s LEU 2 Cb 0.00 -3.19 0.18 0.00 0.03 0.00 0.00 46.19 43.21 1a01 s LEU 2 CO 0.00 -0.50 1.21 -0.94 0.23 0.00 0.00 176.35 176.35 1a01 s SER 3 N 1.32 3.04 0.30 2.29 1.04 -1.26 -4.87 113.70 115.56 1a01 s SER 3 Ca 0.35 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.41 1a01 s SER 3 Cb -0.15 -0.92 0.47 0.00 0.10 0.00 0.00 66.02 65.52 1a01 s SER 3 CO 0.08 -2.81 1.83 -0.65 0.98 0.00 0.00 173.24 172.67 1a01 h PRO 4 N -1.68 0.69 -0.09 4.02 0.11 -2.00 -1.80 132.00 131.24 1a01 h PRO 4 Ca -0.47 -0.15 -0.13 0.00 0.11 0.00 0.00 66.00 65.36 1a01 h PRO 4 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1a01 h PRO 4 CO 0.49 0.67 -0.52 0.00 -0.21 0.00 0.00 178.00 178.43 1a01 h ALA 5 N 1.39 0.94 -0.37 -0.75 0.00 -2.00 -2.48 119.26 116.00 1a01 h ALA 5 Ca 0.14 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1a01 h ALA 5 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1a01 h ALA 5 CO 0.01 0.67 0.23 -0.44 0.00 0.00 0.00 179.25 179.73 1a01 h ASP 6 N 0.20 0.40 -0.47 0.00 3.32 -1.70 -1.43 116.42 116.73 1a01 h ASP 6 Ca 0.01 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1a01 h ASP 6 Cb 0.99 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1a01 h ASP 6 CO 0.08 0.29 0.23 0.11 -1.72 0.00 0.00 179.24 178.23 1a01 h LYS 7 N 0.48 0.72 -0.51 3.56 1.57 -1.16 -1.46 116.57 119.78 1a01 h LYS 7 Ca 0.14 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1a01 h LYS 7 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1a01 h LYS 7 CO -0.04 0.58 -0.16 1.15 -0.57 0.00 0.00 179.45 180.41 1a01 h THR 8 N 0.72 1.27 -0.19 -0.16 2.02 -1.18 -1.89 112.91 113.50 1a01 h THR 8 Ca 0.18 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 1a01 h THR 8 Cb 0.11 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1a01 h THR 8 CO -0.02 0.46 0.02 0.78 0.37 0.00 0.00 175.52 177.13 1a01 h ASN 9 N 0.87 0.32 -0.13 4.18 2.35 -0.63 -1.31 115.58 121.23 1a01 h ASN 9 Ca 0.12 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1a01 h ASN 9 Cb 0.73 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1a01 h ASN 9 CO 0.06 0.52 0.09 0.58 -1.65 0.00 0.00 177.43 177.02 1a01 h VAL 10 N 0.11 1.03 -0.95 2.81 2.07 -1.28 0.15 116.25 120.20 1a01 h VAL 10 Ca 0.06 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1a01 h VAL 10 Cb 0.35 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1a01 h VAL 10 CO 0.01 0.03 0.63 0.11 0.02 0.00 0.00 177.57 178.36 1a01 h LYS 11 N 0.18 1.25 -0.03 1.57 1.57 -1.31 0.48 116.57 120.27 1a01 h LYS 11 Ca 0.05 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1a01 h LYS 11 Cb -0.02 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 1a01 h LYS 11 CO -0.01 0.83 -0.02 0.00 -0.57 0.00 0.00 179.45 179.68 1a01 h ALA 12 N 1.35 0.04 -0.64 3.86 0.00 -0.96 -1.78 119.26 121.12 1a01 h ALA 12 Ca 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1a01 h ALA 12 Cb -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1a01 h ALA 12 CO -0.07 -0.22 0.07 0.00 0.00 0.00 0.00 179.25 179.02 1a01 h ALA 13 N 0.57 0.86 -0.29 0.00 0.00 -0.36 -2.92 119.26 117.12 1a01 h ALA 13 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1a01 h ALA 13 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a01 h ALA 13 CO 0.00 0.66 -0.27 2.35 0.00 0.00 0.00 179.25 181.99 1a01 h TRP 14 N 1.00 0.67 -0.54 0.00 2.91 -0.08 -2.61 115.95 117.31 1a01 h TRP 14 Ca 0.19 -0.16 0.06 0.00 1.13 0.00 0.00 58.89 60.12 1a01 h TRP 14 Cb 0.49 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.93 1a01 h TRP 14 CO 0.04 0.80 0.24 0.78 -1.03 0.00 0.00 178.44 179.27 1a01 h GLY 15 N 1.01 0.75 1.46 2.65 0.00 -1.19 -0.91 103.07 106.84 1a01 h GLY 15 Ca 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1a01 h GLY 15 CO 0.06 0.06 0.16 1.70 0.00 0.00 0.00 176.54 178.52 1a01 h LYS 16 N 0.46 0.70 0.08 4.80 3.11 -1.32 -2.33 116.57 122.07 1a01 h LYS 16 Ca 0.25 -0.11 0.02 0.00 -2.81 0.00 0.00 60.65 58.00 1a01 h LYS 16 Cb 0.22 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 1a01 h LYS 16 CO -0.21 0.60 -0.23 0.28 -2.81 0.00 0.00 179.45 177.09 1a01 h VAL 17 N 0.68 0.49 0.00 2.00 2.07 -0.83 -3.44 116.25 117.22 1a01 h VAL 17 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1a01 h VAL 17 Cb 0.19 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1a01 h VAL 17 CO -0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.19 1a01 n GLY 18 N -1.35 3.32 0.16 2.17 0.00 -0.64 -1.88 105.19 106.98 1a01 n GLY 18 Ca -0.06 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1a01 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a01 h ALA 19 N -0.69 1.00 -0.13 4.61 0.00 -1.86 -3.00 119.26 119.19 1a01 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a01 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a01 h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1a01 n HIS 20 N -2.43 0.16 -0.22 0.00 -0.00 -0.79 -4.42 115.22 107.53 1a01 n HIS 20 Ca 0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.72 57.65 1a01 n HIS 20 Cb 0.25 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.30 1a01 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a01 h ALA 21 N 4.10 0.41 -0.49 -1.41 0.00 -1.69 0.12 119.26 120.31 1a01 h ALA 21 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1a01 h ALA 21 Cb 0.47 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1a01 h ALA 21 CO 0.00 -0.43 0.00 0.78 0.00 0.00 0.00 179.25 179.60 1a01 h GLY 22 N -0.01 0.87 1.72 0.00 0.00 -1.84 0.18 103.07 103.99 1a01 h GLY 22 Ca 0.31 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 1a01 h GLY 22 CO -0.66 0.54 -0.71 -2.09 0.00 0.00 0.00 176.54 173.62 1a01 h GLU 23 N 0.75 0.27 -0.51 4.80 4.81 -1.58 -2.27 114.58 120.86 1a01 h GLU 23 Ca 0.15 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1a01 h GLU 23 Cb 0.46 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1a01 h GLU 23 CO 0.02 0.87 -0.07 1.88 -0.73 0.00 0.00 179.01 180.98 1a01 h TYR 24 N 0.18 1.05 -0.57 0.92 0.05 -0.51 -1.51 116.97 116.59 1a01 h TYR 24 Ca -0.02 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.56 1a01 h TYR 24 Cb 1.27 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1a01 h TYR 24 CO 0.03 0.99 0.37 0.78 -1.05 0.00 0.00 178.16 179.28 1a01 h GLY 25 N 0.81 0.81 1.02 3.88 0.00 -0.84 -0.36 103.07 108.38 1a01 h GLY 25 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1a01 h GLY 25 CO 0.04 0.27 0.24 0.00 0.00 0.00 0.00 176.54 177.10 1a01 h ALA 26 N 1.22 0.86 -0.50 3.60 0.00 -1.19 -2.06 119.26 121.18 1a01 h ALA 26 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1a01 h ALA 26 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1a01 h ALA 26 CO -0.06 0.50 0.15 1.49 0.00 0.00 0.00 179.25 181.33 1a01 h GLU 27 N 0.94 0.79 -0.82 0.00 4.81 -0.85 -1.02 114.58 118.41 1a01 h GLU 27 Ca 0.22 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1a01 h GLU 27 Cb 0.24 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1a01 h GLU 27 CO -0.01 0.74 0.54 0.00 -0.73 0.00 0.00 179.01 179.54 1a01 h ALA 28 N 1.01 1.04 -0.30 2.92 0.00 -0.86 0.96 119.26 124.04 1a01 h ALA 28 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1a01 h ALA 28 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a01 h ALA 28 CO -0.00 0.46 0.12 -0.07 0.00 0.00 0.00 179.25 179.75 1a01 h LEU 29 N 1.12 0.41 -0.90 0.00 3.38 -1.15 -1.53 115.31 116.65 1a01 h LEU 29 Ca 0.30 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1a01 h LEU 29 Cb -0.12 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1a01 h LEU 29 CO -0.06 0.47 0.59 -0.08 0.09 0.00 0.00 178.44 179.45 1a01 h GLU 30 N 0.33 1.16 -0.91 1.13 4.81 -0.72 -0.99 114.58 119.40 1a01 h GLU 30 Ca 0.10 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1a01 h GLU 30 Cb 0.19 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1a01 h GLU 30 CO -0.01 0.77 0.57 0.00 -0.73 0.00 0.00 179.01 179.60 1a01 h ARG 31 N 1.19 1.22 -0.22 1.92 3.08 -0.60 -2.59 114.38 118.38 1a01 h ARG 31 Ca 0.34 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1a01 h ARG 31 Cb -0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 1a01 h ARG 31 CO -0.08 0.84 0.09 1.98 -1.07 0.00 0.00 179.97 181.72 1a01 h MET 32 N 1.25 0.33 -0.66 0.04 4.05 -0.55 -0.30 114.93 119.08 1a01 h MET 32 Ca 0.33 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1a01 h MET 32 Cb -0.08 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 1a01 h MET 32 CO -0.06 0.38 0.39 0.74 0.23 0.00 0.00 176.91 178.58 1a01 h PHE 33 N 0.20 0.87 0.05 1.39 0.04 -1.10 0.98 116.94 119.37 1a01 h PHE 33 Ca 0.07 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 1a01 h PHE 33 Cb 0.17 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.05 1a01 h PHE 33 CO -0.01 0.59 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.85 1a01 h LEU 34 N 0.92 0.24 -0.16 1.54 3.38 -1.41 -3.29 115.31 116.53 1a01 h LEU 34 Ca 0.24 -0.91 -0.23 0.00 0.09 0.00 0.00 57.88 57.07 1a01 h LEU 34 Cb -0.02 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1a01 h LEU 34 CO -0.04 1.13 -0.89 0.28 0.09 0.00 0.00 178.44 179.01 1a01 h SER 35 N -0.61 0.77 -2.56 -0.43 0.02 -0.91 -3.39 113.55 106.44 1a01 h SER 35 Ca -0.06 -0.56 -0.60 0.00 -0.84 0.00 0.00 61.79 59.73 1a01 h SER 35 Cb 1.23 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.13 1a01 h SER 35 CO 0.07 1.35 -0.75 0.49 -1.14 0.00 0.00 176.83 176.85 1a01 n PHE 36 N -3.85 1.82 0.23 3.45 3.72 0.33 -4.99 117.46 118.16 1a01 n PHE 36 Ca -0.08 -3.93 0.17 0.00 -0.05 0.00 0.00 57.45 53.57 1a01 n PHE 36 Cb 0.80 -0.35 0.86 0.00 -0.94 0.00 0.00 39.48 39.85 1a01 n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a01 h PRO 37 N 4.99 0.00 0.00 -1.08 0.13 -1.72 -0.87 132.00 133.45 1a01 h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1a01 h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1a01 h PRO 37 CO 0.62 0.00 -0.01 1.79 -0.23 0.00 0.00 178.00 180.17 1a01 h THR 38 N 0.00 0.19 0.00 1.56 1.35 -1.91 -0.48 112.91 113.62 1a01 h THR 38 Ca 0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1a01 h THR 38 Cb 0.44 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1a01 h THR 38 CO -0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1a01 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.47 -2.59 112.91 117.01 1a01 h THR 39 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1a01 h THR 39 Cb 0.07 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1a01 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1a01 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.26 -2.80 116.57 118.80 1a01 h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a01 h LYS 40 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1a01 h LYS 40 CO 0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1a01 h THR 41 N 0.00 0.05 -0.00 -0.16 1.35 -1.63 -0.81 112.91 111.71 1a01 h THR 41 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1a01 h THR 41 Cb 0.38 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1a01 h THR 41 CO 0.00 0.00 -0.48 -1.22 -0.25 0.00 0.00 175.52 173.57 1a01 n TYR 42 N -3.15 0.00 -2.51 4.73 4.01 -1.05 -4.38 117.16 114.80 1a01 n TYR 42 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 1a01 n TYR 42 Cb 0.09 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1a01 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a01 n PHE 43 N -1.23 2.93 0.27 -0.72 3.01 -0.31 -4.84 117.46 116.57 1a01 n PHE 43 Ca 0.07 -3.04 0.16 0.00 1.01 0.00 0.00 57.45 55.65 1a01 n PHE 43 Cb 0.34 -0.15 0.62 0.00 -0.01 0.00 0.00 39.48 40.29 1a01 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a01 h PRO 44 N 2.66 0.00 -0.07 -1.08 0.13 -1.76 -2.89 132.00 128.99 1a01 h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1a01 h PRO 44 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1a01 h PRO 44 CO 0.77 0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 1a01 n HIS 45 N -3.15 0.08 -4.19 1.56 1.44 -1.26 -4.91 115.22 104.79 1a01 n HIS 45 Ca 0.01 -0.04 -0.26 0.00 -2.01 0.00 0.00 57.72 55.42 1a01 n HIS 45 Cb 0.34 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.38 1a01 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a01 s PHE 46 N -1.92 2.90 -0.47 -1.40 0.40 -1.09 -5.07 117.98 111.32 1a01 s PHE 46 Ca 0.35 -0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 56.34 1a01 s PHE 46 Cb 0.18 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.36 1a01 s PHE 46 CO 0.29 0.53 0.75 0.34 0.70 0.00 0.00 175.22 177.83 1a01 s ASP 47 N -3.10 6.35 -0.15 1.36 2.15 -1.26 -4.89 116.67 117.13 1a01 s ASP 47 Ca 0.29 -0.32 0.13 0.00 0.43 0.00 0.00 52.55 53.08 1a01 s ASP 47 Cb -0.09 -2.36 0.65 0.00 -0.30 0.00 0.00 42.92 40.81 1a01 s ASP 47 CO 0.20 -0.93 1.52 0.18 -0.17 0.00 0.00 175.17 175.96 1a01 n LEU 48 N 6.66 4.51 -4.76 -1.34 4.77 -1.26 -4.47 117.00 121.11 1a01 n LEU 48 Ca 0.00 -2.28 -0.35 0.00 -0.03 0.00 0.00 56.01 53.35 1a01 n LEU 48 Cb 0.48 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1a01 n LEU 48 CO 0.58 0.63 0.80 -0.94 -1.33 0.00 0.00 177.39 177.13 1a01 s SER 49 N -0.74 5.28 0.07 -1.43 1.04 -1.26 -4.89 113.70 111.76 1a01 s SER 49 Ca 0.44 2.26 -0.35 0.00 0.48 0.00 0.00 55.95 58.79 1a01 s SER 49 Cb 0.31 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.71 1a01 s SER 49 CO 0.17 -1.53 1.64 1.57 0.98 0.00 0.00 173.24 176.07 1a01 n HIS 50 N -1.69 2.19 -1.00 5.02 -0.00 -1.26 -1.69 115.22 116.79 1a01 n HIS 50 Ca 0.12 0.25 -0.00 0.00 0.46 0.00 0.00 57.72 58.55 1a01 n HIS 50 Cb 0.50 -2.55 -0.00 0.00 -0.12 0.00 0.00 29.99 27.83 1a01 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a01 n GLY 51 N 3.61 0.40 3.65 1.57 0.00 -1.26 -5.01 105.19 108.15 1a01 n GLY 51 Ca 0.19 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1a01 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a01 n SER 52 N -0.19 1.80 0.23 1.61 3.41 -0.68 -4.81 113.62 114.99 1a01 n SER 52 Ca -0.00 1.05 0.06 0.00 -0.26 0.00 0.00 58.87 59.72 1a01 n SER 52 Cb 0.10 -1.42 0.53 0.00 -0.26 0.00 0.00 64.21 63.16 1a01 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a01 h ALA 53 N 1.71 1.69 -0.28 7.33 0.00 -1.91 -1.46 119.26 126.34 1a01 h ALA 53 Ca -0.46 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1a01 h ALA 53 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1a01 h ALA 53 CO 0.58 0.21 0.16 1.96 0.00 0.00 0.00 179.25 182.16 1a01 h GLN 54 N 0.00 0.38 -0.33 0.00 4.20 -1.89 0.50 115.11 117.97 1a01 h GLN 54 Ca -0.00 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 1a01 h GLN 54 Cb 0.30 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1a01 h GLN 54 CO 0.02 0.32 -0.45 0.28 -0.67 0.00 0.00 178.83 178.33 1a01 h VAL 55 N 0.34 1.27 -0.39 -0.54 2.07 -1.66 -1.07 116.25 116.27 1a01 h VAL 55 Ca 0.10 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1a01 h VAL 55 Cb 0.04 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1a01 h VAL 55 CO -0.02 0.54 0.16 0.11 0.02 0.00 0.00 177.57 178.38 1a01 h LYS 56 N 0.69 0.59 -0.36 1.57 1.57 -1.08 0.12 116.57 119.67 1a01 h LYS 56 Ca 0.04 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a01 h LYS 56 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1a01 h LYS 56 CO 0.11 0.55 0.22 0.78 -0.57 0.00 0.00 179.45 180.54 1a01 h GLY 57 N 0.49 0.52 1.01 3.86 0.00 0.04 -1.86 103.07 107.13 1a01 h GLY 57 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1a01 h GLY 57 CO -0.01 0.21 0.17 0.84 0.00 0.00 0.00 176.54 177.75 1a01 h HIS 58 N 0.47 0.97 -0.89 5.60 -0.00 -1.01 -2.27 115.15 118.02 1a01 h HIS 58 Ca 0.13 -0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.45 1a01 h HIS 58 Cb 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.08 1a01 h HIS 58 CO -0.04 0.81 0.58 0.78 -0.00 0.00 0.00 177.93 180.06 1a01 h GLY 59 N 0.85 1.28 1.25 5.26 0.00 -0.57 0.24 103.07 111.38 1a01 h GLY 59 Ca 0.19 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 1a01 h GLY 59 CO -0.00 0.30 -0.55 1.70 0.00 0.00 0.00 176.54 178.00 1a01 h LYS 60 N 1.02 0.79 -0.63 4.80 1.63 -0.99 -1.68 116.57 121.51 1a01 h LYS 60 Ca 0.38 -0.50 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 1a01 h LYS 60 Cb 0.18 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1a01 h LYS 60 CO -0.14 1.12 0.03 0.87 -3.45 0.00 0.00 179.45 177.89 1a01 h LYS 61 N 0.60 1.08 -0.34 1.90 1.57 -0.81 -0.51 116.57 120.06 1a01 h LYS 61 Ca 0.01 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1a01 h LYS 61 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1a01 h LYS 61 CO 0.12 1.03 0.12 0.28 -0.57 0.00 0.00 179.45 180.42 1a01 h VAL 62 N 0.99 1.20 -0.66 0.50 2.07 -0.86 -2.20 116.25 117.30 1a01 h VAL 62 Ca 0.18 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1a01 h VAL 62 Cb 0.52 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1a01 h VAL 62 CO 0.03 0.22 0.20 0.00 0.02 0.00 0.00 177.57 178.03 1a01 h ALA 63 N 0.96 0.86 -0.46 1.67 0.00 -1.10 -2.01 119.26 119.17 1a01 h ALA 63 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a01 h ALA 63 Cb 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1a01 h ALA 63 CO -0.01 0.55 0.25 -0.44 0.00 0.00 0.00 179.25 179.60 1a01 h ASP 64 N 0.96 0.38 -0.78 0.00 5.19 -0.99 0.30 116.42 121.48 1a01 h ASP 64 Ca 0.21 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1a01 h ASP 64 Cb 0.31 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.71 1a01 h ASP 64 CO -0.00 0.27 0.50 0.00 -3.12 0.00 0.00 179.24 176.88 1a01 h ALA 65 N 1.23 1.01 -0.64 3.45 0.00 -1.14 -0.10 119.26 123.08 1a01 h ALA 65 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a01 h ALA 65 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1a01 h ALA 65 CO -0.12 0.32 0.17 -0.07 0.00 0.00 0.00 179.25 179.55 1a01 h LEU 66 N 0.98 0.96 -0.63 0.00 4.07 -0.76 -0.69 115.31 119.23 1a01 h LEU 66 Ca 0.31 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1a01 h LEU 66 Cb -0.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1a01 h LEU 66 CO -0.10 0.94 0.32 0.74 -1.08 0.00 0.00 178.44 179.26 1a01 h THR 67 N 0.94 1.21 -0.66 0.22 2.02 0.16 -0.32 112.91 116.48 1a01 h THR 67 Ca 0.20 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1a01 h THR 67 Cb 0.34 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1a01 h THR 67 CO -0.00 0.23 0.40 -1.13 0.37 0.00 0.00 175.52 175.40 1a01 h ASN 68 N 0.86 0.79 -0.61 4.18 -1.24 -0.60 -1.30 115.58 117.66 1a01 h ASN 68 Ca 0.22 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 1a01 h ASN 68 Cb 0.08 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1a01 h ASN 68 CO -0.03 0.61 0.04 0.00 -1.29 0.00 0.00 177.43 176.76 1a01 h ALA 69 N 1.21 0.82 -0.48 1.57 0.00 -0.68 -0.99 119.26 120.71 1a01 h ALA 69 Ca 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a01 h ALA 69 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1a01 h ALA 69 CO -0.05 0.64 0.19 0.28 0.00 0.00 0.00 179.25 180.31 1a01 h VAL 70 N 0.96 1.21 -0.53 0.00 2.07 -0.75 -0.30 116.25 118.92 1a01 h VAL 70 Ca 0.18 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1a01 h VAL 70 Cb 0.52 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1a01 h VAL 70 CO 0.02 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.21 1a01 h ALA 71 N 1.04 1.85 -1.09 1.67 0.00 -1.05 -2.68 119.26 119.00 1a01 h ALA 71 Ca 0.16 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.48 1a01 h ALA 71 Cb 0.20 -0.13 -0.42 0.00 0.00 0.00 0.00 17.79 17.43 1a01 h ALA 71 CO -0.01 0.07 -0.74 0.72 0.00 0.00 0.00 179.25 179.29 1a01 n HIS 72 N -4.47 3.05 0.27 0.00 8.25 -0.39 -4.81 115.22 117.12 1a01 n HIS 72 Ca 0.07 -2.62 0.17 0.00 -0.26 0.00 0.00 57.72 55.08 1a01 n HIS 72 Cb 0.22 -0.25 0.92 0.00 1.12 0.00 0.00 29.99 31.99 1a01 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a01 h VAL 73 N 2.33 0.43 0.00 1.59 3.04 -0.71 -0.91 116.25 122.02 1a01 h VAL 73 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1a01 h VAL 73 Cb 1.25 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1a01 h VAL 73 CO 0.82 0.00 -0.27 0.44 -1.01 0.00 0.00 177.57 177.55 1a01 h ASP 74 N 0.00 0.00 -1.40 3.17 3.32 -1.87 -3.39 116.42 116.26 1a01 h ASP 74 Ca 0.03 -0.08 -0.41 0.00 0.02 0.00 0.00 57.03 56.58 1a01 h ASP 74 Cb 0.20 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.42 1a01 h ASP 74 CO -0.00 0.04 -0.96 -0.67 -1.72 0.00 0.00 179.24 175.93 1a01 n ASP 75 N -2.28 -0.22 -0.14 6.45 2.03 -0.38 -4.96 116.55 117.04 1a01 n ASP 75 Ca 0.04 -3.17 -0.08 0.00 0.52 0.00 0.00 54.79 52.10 1a01 n ASP 75 Cb 0.45 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1a01 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a01 h MET 76 N 3.15 0.56 -0.67 -0.67 2.86 -1.67 -0.67 114.93 117.82 1a01 h MET 76 Ca 0.03 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1a01 h MET 76 Cb 1.00 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.44 1a01 h MET 76 CO 0.39 0.42 0.14 -1.35 1.06 0.00 0.00 176.91 177.57 1a01 h PRO 77 N 0.55 0.24 0.00 -0.22 0.11 -1.93 0.50 132.00 131.25 1a01 h PRO 77 Ca 0.15 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.99 1a01 h PRO 77 Cb -0.00 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 31.07 1a01 h PRO 77 CO -0.03 0.16 -1.02 -0.91 -0.21 0.00 0.00 178.00 175.99 1a01 h ASN 78 N 0.25 0.81 -0.43 -2.05 4.21 -1.90 -2.95 115.58 113.53 1a01 h ASN 78 Ca 0.37 -0.65 -0.07 0.00 1.21 0.00 0.00 56.30 57.16 1a01 h ASN 78 Cb 0.59 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1a01 h ASN 78 CO -0.47 1.45 0.04 0.00 -1.29 0.00 0.00 177.43 177.16 1a01 h ALA 79 N 0.49 1.13 -0.54 -0.83 0.00 0.26 -3.04 119.26 116.74 1a01 h ALA 79 Ca -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1a01 h ALA 79 Cb 1.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1a01 h ALA 79 CO 0.19 0.56 0.03 1.28 0.00 0.00 0.00 179.25 181.32 1a01 n LEU 80 N -4.23 5.45 -0.14 0.00 4.77 0.16 -4.70 117.00 118.30 1a01 n LEU 80 Ca 0.03 -3.00 -0.08 0.00 -0.03 0.00 0.00 56.01 52.93 1a01 n LEU 80 Cb 0.28 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1a01 n LEU 80 CO 0.41 0.67 0.61 -1.28 -1.33 0.00 0.00 177.39 176.47 1a01 h SER 81 N 3.40 -1.24 -0.75 -1.43 0.87 -1.39 0.38 113.55 113.39 1a01 h SER 81 Ca 0.04 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1a01 h SER 81 Cb 1.93 0.57 -0.04 0.00 -0.44 0.00 0.00 62.40 64.43 1a01 h SER 81 CO 0.48 -0.34 0.43 0.00 -0.53 0.00 0.00 176.83 176.87 1a01 h ALA 82 N 0.67 0.95 -0.52 6.23 0.00 -1.84 -1.30 119.26 123.45 1a01 h ALA 82 Ca 0.17 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1a01 h ALA 82 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1a01 h ALA 82 CO -0.58 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.30 1a01 h LEU 83 N 1.03 0.92 -0.81 0.00 5.85 -1.58 -2.08 115.31 118.64 1a01 h LEU 83 Ca 0.27 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1a01 h LEU 83 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1a01 h LEU 83 CO -0.05 1.01 0.16 -1.28 -0.34 0.00 0.00 178.44 177.95 1a01 h SER 84 N 0.84 1.00 -0.31 1.25 0.87 0.13 -2.19 113.55 115.14 1a01 h SER 84 Ca 0.14 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1a01 h SER 84 Cb 0.59 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1a01 h SER 84 CO 0.04 0.96 -0.10 0.44 -0.53 0.00 0.00 176.83 177.63 1a01 h ASP 85 N 1.01 0.63 -0.97 6.23 3.32 -0.94 -2.17 116.42 123.53 1a01 h ASP 85 Ca 0.21 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1a01 h ASP 85 Cb 0.35 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1a01 h ASP 85 CO 0.00 0.87 0.64 0.25 -1.72 0.00 0.00 179.24 179.28 1a01 h LEU 86 N 0.38 1.08 -0.12 1.55 5.85 -1.24 0.17 115.31 122.99 1a01 h LEU 86 Ca 0.08 -0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 1a01 h LEU 86 Cb 0.61 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1a01 h LEU 86 CO 0.04 0.76 -0.92 0.45 -0.34 0.00 0.00 178.44 178.43 1a01 h HIS 87 N 1.26 0.94 -0.28 1.25 3.86 -1.38 -0.04 115.15 120.77 1a01 h HIS 87 Ca 0.37 -0.47 -0.15 0.00 -1.16 0.00 0.00 60.37 58.95 1a01 h HIS 87 Cb -0.07 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1a01 h HIS 87 CO -0.00 1.30 -0.43 0.00 0.86 0.00 0.00 177.93 179.66 1a01 h ALA 88 N 0.55 0.43 0.00 2.45 0.00 -1.18 0.50 119.26 122.01 1a01 h ALA 88 Ca -0.09 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1a01 h ALA 88 Cb 1.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1a01 h ALA 88 CO 0.18 0.55 -2.06 0.72 0.00 0.00 0.00 179.25 178.64 1a01 n HIS 89 N -4.14 0.00 0.00 0.00 8.25 0.56 -4.57 115.22 115.33 1a01 n HIS 89 Ca -0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 1a01 n HIS 89 Cb 0.56 -0.64 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 1a01 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a01 n LYS 90 N -2.39 0.17 0.05 -0.41 4.76 -0.35 -4.83 118.16 115.16 1a01 n LYS 90 Ca -0.14 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 1a01 n LYS 90 Cb 0.75 -0.79 -0.08 0.00 -1.84 0.00 0.00 35.03 33.06 1a01 n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a01 h LEU 91 N -0.32 -0.08 -2.02 -0.35 3.38 -1.18 -3.48 115.31 111.26 1a01 h LEU 91 Ca -0.02 -0.21 -0.41 0.00 0.09 0.00 0.00 57.88 57.34 1a01 h LEU 91 Cb 0.38 0.02 0.07 0.00 0.09 0.00 0.00 40.66 41.22 1a01 h LEU 91 CO -0.01 0.16 -0.85 0.54 0.09 0.00 0.00 178.44 178.37 1a01 n ARG 92 N -5.03 -4.19 -2.61 1.13 1.74 0.17 -4.95 116.66 102.93 1a01 n ARG 92 Ca -0.08 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1a01 n ARG 92 Cb 0.16 -5.08 -0.03 0.00 -1.02 0.00 0.00 32.46 26.49 1a01 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a01 s VAL 93 N -3.63 4.42 0.31 1.55 1.01 -1.26 -4.99 120.40 117.81 1a01 s VAL 93 Ca 0.10 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1a01 s VAL 93 Cb -0.03 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 1a01 s VAL 93 CO 0.81 0.20 1.59 -0.67 0.00 0.00 0.00 175.10 177.04 1a01 n ASP 94 N 3.41 3.92 0.12 3.32 -0.08 -1.26 -4.84 116.55 121.14 1a01 n ASP 94 Ca 0.05 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.69 1a01 n ASP 94 Cb 0.49 -1.61 0.77 0.00 2.34 0.00 0.00 41.12 43.10 1a01 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a01 h PRO 95 N 4.49 0.00 -0.80 -0.67 0.11 -1.99 -1.60 132.00 131.55 1a01 h PRO 95 Ca -0.48 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1a01 h PRO 95 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1a01 h PRO 95 CO 0.77 0.00 0.52 0.28 -0.21 0.00 0.00 178.00 179.36 1a01 h VAL 96 N 0.00 0.94 0.00 3.15 2.07 -2.03 -1.82 116.25 118.56 1a01 h VAL 96 Ca 0.17 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1a01 h VAL 96 Cb 0.89 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1a01 h VAL 96 CO -0.00 0.13 -0.12 0.78 0.02 0.00 0.00 177.57 178.38 1a01 h ASN 97 N 0.72 0.00 -0.37 0.57 4.21 -1.65 -2.47 115.58 116.59 1a01 h ASN 97 Ca 0.37 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.83 1a01 h ASN 97 Cb 0.47 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1a01 h ASN 97 CO -0.14 0.12 0.09 -0.26 -1.29 0.00 0.00 177.43 175.94 1a01 h PHE 98 N 0.00 0.69 -0.14 1.19 -1.00 -1.50 -1.80 116.94 114.39 1a01 h PHE 98 Ca -0.00 -0.06 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 1a01 h PHE 98 Cb 0.25 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1a01 h PHE 98 CO 0.00 0.61 -0.45 1.57 -1.61 0.00 0.00 178.31 178.43 1a01 h LYS 99 N 0.65 0.33 -0.14 1.51 5.09 -1.54 -0.76 116.57 121.72 1a01 h LYS 99 Ca 0.15 -0.17 -0.18 0.00 0.09 0.00 0.00 60.65 60.53 1a01 h LYS 99 Cb 0.28 0.01 0.01 0.00 0.10 0.00 0.00 32.23 32.62 1a01 h LYS 99 CO 0.00 0.72 -0.61 -0.07 -2.09 0.00 0.00 179.45 177.40 1a01 h LEU 100 N 0.27 0.78 -0.45 7.07 3.38 -1.38 -2.41 115.31 122.58 1a01 h LEU 100 Ca 0.02 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1a01 h LEU 100 Cb 0.90 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1a01 h LEU 100 CO 0.07 1.27 0.14 0.25 0.09 0.00 0.00 178.44 180.27 1a01 h LEU 101 N 0.33 0.65 -0.58 1.67 6.46 -1.25 -1.96 115.31 120.64 1a01 h LEU 101 Ca -0.04 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1a01 h LEU 101 Cb 1.24 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 1a01 h LEU 101 CO 0.13 0.68 0.20 0.28 -0.62 0.00 0.00 178.44 179.11 1a01 h SER 102 N 0.58 0.18 -0.27 1.25 0.02 -1.12 0.95 113.55 115.14 1a01 h SER 102 Ca 0.14 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1a01 h SER 102 Cb 0.27 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1a01 h SER 102 CO -0.00 0.12 0.16 -0.74 -1.14 0.00 0.00 176.83 175.22 1a01 h HIS 103 N 0.37 0.30 -0.06 3.45 -0.00 -1.29 -0.82 115.15 117.10 1a01 h HIS 103 Ca 0.29 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.57 1a01 h HIS 103 Cb 0.36 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1a01 h HIS 103 CO -0.18 0.18 -0.40 0.00 -0.00 0.00 0.00 177.93 177.53 1a01 h LEU 105 N 0.12 0.73 -0.69 0.00 4.07 -0.48 -1.98 115.31 117.08 1a01 h LEU 105 Ca 0.01 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1a01 h LEU 105 Cb 0.77 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1a01 h LEU 105 CO 0.06 0.86 0.38 -0.07 -1.08 0.00 0.00 178.44 178.58 1a01 h LEU 106 N 0.59 0.86 -0.75 1.67 4.07 -0.72 -1.14 115.31 119.90 1a01 h LEU 106 Ca 0.12 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1a01 h LEU 106 Cb 0.48 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 1a01 h LEU 106 CO 0.02 0.71 0.47 0.58 -1.08 0.00 0.00 178.44 179.14 1a01 h VAL 107 N 0.95 1.21 0.27 1.22 2.07 -1.13 -0.16 116.25 120.67 1a01 h VAL 107 Ca 0.24 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1a01 h VAL 107 Cb 0.04 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1a01 h VAL 107 CO -0.04 0.21 -0.13 0.74 0.02 0.00 0.00 177.57 178.37 1a01 h THR 108 N 1.02 0.75 -0.36 2.57 2.02 -1.02 -1.05 112.91 116.84 1a01 h THR 108 Ca 0.27 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1a01 h THR 108 Cb -0.06 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1a01 h THR 108 CO -0.05 0.02 0.13 -0.07 0.37 0.00 0.00 175.52 175.92 1a01 h LEU 109 N -0.40 0.15 -0.47 2.58 4.07 -1.08 -2.20 115.31 117.96 1a01 h LEU 109 Ca -0.04 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.03 1a01 h LEU 109 Cb 0.30 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 1a01 h LEU 109 CO 0.06 0.12 0.14 0.00 -1.08 0.00 0.00 178.44 177.68 1a01 h ALA 110 N 1.23 0.55 0.00 1.53 0.00 -0.80 0.14 119.26 121.91 1a01 h ALA 110 Ca 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a01 h ALA 110 Cb 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a01 h ALA 110 CO -0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 179.25 178.72 1a01 h ALA 111 N 1.33 1.17 0.00 0.00 0.00 -0.82 -3.28 119.26 117.66 1a01 h ALA 111 Ca 0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1a01 h ALA 111 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a01 h ALA 111 CO -0.26 0.13 -1.70 0.72 0.00 0.00 0.00 179.25 178.13 1a01 n HIS 112 N -3.46 0.00 -3.18 0.00 -0.00 -0.86 -4.78 115.22 102.94 1a01 n HIS 112 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.40 1a01 n HIS 112 Cb 0.25 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.99 29.79 1a01 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a01 n LEU 113 N -2.13 4.63 -0.20 2.41 4.77 0.45 -4.93 117.00 122.00 1a01 n LEU 113 Ca -0.08 -5.47 -0.00 0.00 -0.03 0.00 0.00 56.01 50.43 1a01 n LEU 113 Cb 0.52 -0.77 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1a01 n LEU 113 CO 0.28 2.08 0.98 1.55 -1.33 0.00 0.00 177.39 180.95 1a01 h PRO 114 N 4.06 0.37 -0.25 3.23 0.13 -1.84 -2.33 132.00 135.37 1a01 h PRO 114 Ca 0.21 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.16 1a01 h PRO 114 Cb 0.59 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1a01 h PRO 114 CO 0.94 0.25 -0.46 0.00 -0.23 0.00 0.00 178.00 178.49 1a01 h ALA 115 N 1.42 0.71 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.55 1a01 h ALA 115 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a01 h ALA 115 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a01 h ALA 115 CO -0.31 0.67 -0.89 0.93 0.00 0.00 0.00 179.25 179.65 1a01 h GLU 116 N 0.52 0.00 -3.02 0.00 3.07 -1.92 -3.41 114.58 109.82 1a01 h GLU 116 Ca 0.03 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.18 1a01 h GLU 116 Cb 1.01 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.87 1a01 h GLU 116 CO 0.09 0.00 3.14 0.34 -1.40 0.00 0.00 179.01 181.19 1a01 n PHE 117 N -2.46 2.65 -2.03 4.33 7.35 -0.90 -4.76 117.46 121.64 1a01 n PHE 117 Ca 0.01 -2.97 -0.28 0.00 -0.76 0.00 0.00 57.45 53.45 1a01 n PHE 117 Cb 0.51 -2.23 0.06 0.00 0.35 0.00 0.00 39.48 38.17 1a01 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a01 s THR 118 N 1.01 2.81 0.26 -2.13 -4.23 -1.26 -4.79 115.64 107.31 1a01 s THR 118 Ca 0.59 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1a01 s THR 118 Cb 0.17 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 71.02 1a01 s THR 118 CO -0.07 -0.29 1.79 -0.65 -0.54 0.00 0.00 174.62 174.86 1a01 h PRO 119 N -0.70 0.71 -0.30 3.99 0.11 -1.99 0.41 132.00 134.23 1a01 h PRO 119 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1a01 h PRO 119 Cb 1.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1a01 h PRO 119 CO 0.63 0.47 -0.09 0.00 -0.21 0.00 0.00 178.00 178.81 1a01 h ALA 120 N 1.53 0.42 -0.49 -0.75 0.00 -1.96 -1.31 119.26 116.69 1a01 h ALA 120 Ca 0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1a01 h ALA 120 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1a01 h ALA 120 CO -0.31 0.26 0.10 0.28 0.00 0.00 0.00 179.25 179.58 1a01 h VAL 121 N 0.36 1.24 -0.41 0.00 2.07 -1.77 -1.82 116.25 115.92 1a01 h VAL 121 Ca 0.07 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.79 1a01 h VAL 121 Cb 0.58 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1a01 h VAL 121 CO 0.03 0.31 0.08 -0.74 0.02 0.00 0.00 177.57 177.27 1a01 h HIS 122 N 0.67 0.13 -0.61 1.57 6.17 -0.77 0.16 115.15 122.47 1a01 h HIS 122 Ca 0.15 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 1a01 h HIS 122 Cb 0.35 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 1a01 h HIS 122 CO 0.02 0.01 0.32 0.00 0.71 0.00 0.00 177.93 179.00 1a01 h ALA 123 N 1.31 0.79 -0.44 5.26 0.00 -0.96 -0.91 119.26 124.32 1a01 h ALA 123 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1a01 h ALA 123 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1a01 h ALA 123 CO -0.26 0.32 0.09 0.77 0.00 0.00 0.00 179.25 180.17 1a01 h SER 124 N 0.84 0.67 -0.73 0.00 0.02 -0.62 -2.38 113.55 111.35 1a01 h SER 124 Ca 0.21 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1a01 h SER 124 Cb 0.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1a01 h SER 124 CO -0.03 0.74 0.20 -0.07 -1.14 0.00 0.00 176.83 176.53 1a01 h LEU 125 N 0.57 1.09 -0.49 5.07 3.38 -0.49 0.45 115.31 124.90 1a01 h LEU 125 Ca 0.14 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1a01 h LEU 125 Cb 0.34 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1a01 h LEU 125 CO 0.00 1.03 0.30 -0.78 0.09 0.00 0.00 178.44 179.08 1a01 h ASP 126 N 1.10 0.49 -0.32 -0.43 3.58 -0.96 -0.12 116.42 119.75 1a01 h ASP 126 Ca 0.23 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1a01 h ASP 126 Cb 0.35 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1a01 h ASP 126 CO -0.00 0.35 0.08 0.11 -2.88 0.00 0.00 179.24 176.90 1a01 h LYS 127 N 0.60 0.51 -0.16 0.28 1.57 -1.23 -1.68 116.57 116.46 1a01 h LYS 127 Ca 0.19 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1a01 h LYS 127 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1a01 h LYS 127 CO -0.08 0.57 0.08 0.35 -0.57 0.00 0.00 179.45 179.80 1a01 h PHE 128 N 0.36 0.15 -0.69 -1.35 3.57 -0.49 -0.71 116.94 117.78 1a01 h PHE 128 Ca 0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1a01 h PHE 128 Cb 0.29 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1a01 h PHE 128 CO 0.01 0.09 0.43 -0.07 -2.23 0.00 0.00 178.31 176.54 1a01 h LEU 129 N 0.17 0.81 -0.83 0.59 3.38 -0.93 0.38 115.31 118.88 1a01 h LEU 129 Ca 0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1a01 h LEU 129 Cb 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1a01 h LEU 129 CO -0.04 0.60 0.33 0.00 0.09 0.00 0.00 178.44 179.42 1a01 h ALA 130 N 1.54 1.07 -0.18 1.53 0.00 -0.81 -0.67 119.26 121.74 1a01 h ALA 130 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a01 h ALA 130 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1a01 h ALA 130 CO -0.05 0.67 0.05 0.77 0.00 0.00 0.00 179.25 180.69 1a01 h SER 131 N 1.17 0.26 -0.09 0.00 0.02 0.08 -1.61 113.55 113.38 1a01 h SER 131 Ca 0.27 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1a01 h SER 131 Cb 0.20 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1a01 h SER 131 CO -0.02 0.40 -0.04 0.58 -1.14 0.00 0.00 176.83 176.61 1a01 h VAL 132 N 0.11 0.87 -0.76 2.27 2.07 -0.80 -1.20 116.25 118.81 1a01 h VAL 132 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 1a01 h VAL 132 Cb 0.23 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1a01 h VAL 132 CO -0.00 0.00 0.39 0.28 0.02 0.00 0.00 177.57 178.26 1a01 h SER 133 N -0.03 0.52 -0.36 0.57 0.02 -0.92 -0.54 113.55 112.81 1a01 h SER 133 Ca 0.05 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1a01 h SER 133 Cb 0.10 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1a01 h SER 133 CO -0.11 0.29 0.17 0.74 -1.14 0.00 0.00 176.83 176.78 1a01 h THR 134 N 0.65 1.17 -0.48 -2.27 2.02 -0.98 -1.76 112.91 111.26 1a01 h THR 134 Ca 0.38 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1a01 h THR 134 Cb 0.40 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1a01 h THR 134 CO -0.28 0.18 0.22 0.58 0.37 0.00 0.00 175.52 176.60 1a01 h VAL 135 N 0.44 1.19 0.00 3.16 2.07 -0.55 -1.62 116.25 120.94 1a01 h VAL 135 Ca 0.12 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1a01 h VAL 135 Cb 0.13 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1a01 h VAL 135 CO -0.01 0.21 -0.13 -0.07 0.02 0.00 0.00 177.57 177.59 1a01 h LEU 136 N 0.63 0.00 -2.14 2.57 3.38 -0.83 -2.86 115.31 116.06 1a01 h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a01 h LEU 136 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a01 h LEU 136 CO -0.02 0.13 0.00 0.35 0.09 0.00 0.00 178.44 178.99 1a01 n THR 137 N -3.51 0.42 0.25 0.22 -2.24 -0.69 -4.46 114.28 104.28 1a01 n THR 137 Ca -0.01 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1a01 n THR 137 Cb 0.28 0.99 0.66 0.00 -2.10 0.00 0.00 70.33 70.17 1a01 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a01 h SER 138 N 3.16 0.00 -0.50 3.42 4.64 -1.06 -3.10 113.55 120.12 1a01 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a01 h SER 138 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1a01 h SER 138 CO 0.00 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 1a01 n LYS 139 N -3.71 3.71 -0.36 4.77 5.02 -1.26 -4.58 118.16 121.75 1a01 n LYS 139 Ca -0.02 -2.85 -0.01 0.00 -2.02 0.00 0.00 58.31 53.42 1a01 n LYS 139 Cb 0.27 -1.90 0.13 0.00 -0.02 0.00 0.00 35.03 33.51 1a01 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a01 h TYR 140 N 3.25 1.21 0.00 2.13 -1.99 -1.84 -3.46 116.97 116.26 1a01 h TYR 140 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1a01 h TYR 140 Cb 1.49 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1a01 h TYR 140 CO 0.72 0.71 0.00 2.89 -0.00 0.00 0.00 178.16 182.47