#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d60 s LEU 2 N 0.00 3.95 0.88 1.34 1.02 -1.26 -5.03 118.68 119.58 2d60 s LEU 2 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 54.13 55.50 2d60 s LEU 2 Cb 0.00 -3.54 0.12 0.00 0.02 0.00 0.00 46.19 42.79 2d60 s LEU 2 CO 0.00 -1.08 1.10 -0.94 0.02 0.00 0.00 176.35 175.45 2d60 s SER 3 N 3.15 3.56 0.27 2.29 1.04 -1.26 -4.80 113.70 117.95 2d60 s SER 3 Ca 0.62 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2d60 s SER 3 Cb -0.21 -2.36 0.54 0.00 0.10 0.00 0.00 66.02 64.09 2d60 s SER 3 CO 0.24 -2.62 1.81 -0.65 0.98 0.00 0.00 173.24 173.00 2d60 h PRO 4 N -1.53 0.84 -0.54 4.02 0.11 -1.99 0.67 132.00 133.58 2d60 h PRO 4 Ca -0.47 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2d60 h PRO 4 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2d60 h PRO 4 CO 0.51 0.55 0.16 0.00 -0.21 0.00 0.00 178.00 179.01 2d60 h ALA 5 N 1.54 0.70 -0.29 -0.75 0.00 -1.99 -0.93 119.26 117.54 2d60 h ALA 5 Ca 0.48 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2d60 h ALA 5 Cb 0.54 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2d60 h ALA 5 CO -0.29 0.37 0.11 -0.44 0.00 0.00 0.00 179.25 179.00 2d60 h ASP 6 N 0.74 0.13 -0.75 0.00 3.32 -1.77 0.13 116.42 118.22 2d60 h ASP 6 Ca 0.17 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2d60 h ASP 6 Cb 0.30 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2d60 h ASP 6 CO -0.00 0.11 0.50 0.11 -1.72 0.00 0.00 179.24 178.24 2d60 h LYS 7 N 0.24 0.97 -0.12 3.56 1.57 -0.55 0.88 116.57 123.12 2d60 h LYS 7 Ca 0.13 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2d60 h LYS 7 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2d60 h LYS 7 CO -0.12 0.64 -0.04 1.15 -0.57 0.00 0.00 179.45 180.51 2d60 h THR 8 N 1.00 1.30 -0.61 -0.16 2.02 -0.78 -2.04 112.91 113.64 2d60 h THR 8 Ca 0.28 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.50 2d60 h THR 8 Cb -0.09 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 2d60 h THR 8 CO -0.06 0.29 0.33 0.78 0.37 0.00 0.00 175.52 177.23 2d60 h ASN 9 N -0.08 0.48 -0.29 4.18 2.35 -0.35 -1.67 115.58 120.19 2d60 h ASN 9 Ca 0.03 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2d60 h ASN 9 Cb 0.47 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2d60 h ASN 9 CO 0.01 0.32 0.07 0.58 -1.65 0.00 0.00 177.43 176.76 2d60 h VAL 10 N 0.62 1.22 -0.37 2.81 2.07 -0.79 -1.83 116.25 119.97 2d60 h VAL 10 Ca 0.27 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2d60 h VAL 10 Cb 0.17 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2d60 h VAL 10 CO -0.17 0.24 -0.07 0.11 0.02 0.00 0.00 177.57 177.70 2d60 h LYS 11 N 0.30 0.62 -0.12 1.57 1.57 -1.16 0.11 116.57 119.47 2d60 h LYS 11 Ca 0.09 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 2d60 h LYS 11 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2d60 h LYS 11 CO 0.00 0.69 -0.63 0.00 -0.57 0.00 0.00 179.45 178.95 2d60 h ALA 12 N 1.35 0.70 0.00 3.86 0.00 -1.25 0.68 119.26 124.59 2d60 h ALA 12 Ca 0.11 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2d60 h ALA 12 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2d60 h ALA 12 CO 0.03 0.72 -0.00 0.00 0.00 0.00 0.00 179.25 180.00 2d60 h ALA 13 N 1.01 -0.00 0.00 0.00 0.00 -0.92 -2.34 119.26 117.01 2d60 h ALA 13 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2d60 h ALA 13 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2d60 h ALA 13 CO 0.11 -0.27 -0.33 2.35 0.00 0.00 0.00 179.25 181.11 2d60 h TRP 14 N -0.47 0.00 -0.09 0.00 2.91 -0.83 -1.89 115.95 115.57 2d60 h TRP 14 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2d60 h TRP 14 Cb 0.47 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2d60 h TRP 14 CO 0.09 0.33 0.06 0.78 -1.03 0.00 0.00 178.44 178.67 2d60 h GLY 15 N 1.25 0.14 2.00 2.65 0.00 -0.79 -1.58 103.07 106.73 2d60 h GLY 15 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2d60 h GLY 15 CO 0.04 0.06 -0.25 1.70 0.00 0.00 0.00 176.54 178.09 2d60 h LYS 16 N 0.09 0.00 0.19 4.80 1.63 -0.84 -2.71 116.57 119.72 2d60 h LYS 16 Ca 0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2d60 h LYS 16 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2d60 h LYS 16 CO -0.01 0.25 -0.09 0.28 -3.45 0.00 0.00 179.45 176.43 2d60 h VAL 17 N 0.00 0.85 0.00 2.00 2.07 -1.02 -3.45 116.25 116.70 2d60 h VAL 17 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2d60 h VAL 17 Cb 0.51 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2d60 h VAL 17 CO 0.03 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.27 2d60 n GLY 18 N -1.00 3.58 0.07 2.17 0.00 -0.62 -1.75 105.19 107.63 2d60 n GLY 18 Ca -0.09 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2d60 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d60 n ALA 19 N 11.43 1.67 1.66 4.61 0.00 -1.26 -2.40 120.51 136.22 2d60 n ALA 19 Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.60 2d60 n ALA 19 Cb 0.00 -1.31 0.68 0.00 0.00 0.00 0.00 19.45 18.82 2d60 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d60 n HIS 20 N -1.87 0.00 -0.16 0.00 8.25 -0.72 -4.41 115.22 116.32 2d60 n HIS 20 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 2d60 n HIS 20 Cb 0.20 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 2d60 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d60 h ALA 21 N 4.13 -0.13 -0.20 -1.41 0.00 -1.62 -0.89 119.26 119.15 2d60 h ALA 21 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2d60 h ALA 21 Cb 0.31 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2d60 h ALA 21 CO 0.00 -0.71 -0.52 0.78 0.00 0.00 0.00 179.25 178.80 2d60 h GLY 22 N -0.21 -0.98 -0.55 0.00 0.00 -1.84 0.12 103.07 99.61 2d60 h GLY 22 Ca 0.20 0.65 0.17 0.00 0.00 0.00 0.00 47.33 48.35 2d60 h GLY 22 CO -0.60 -0.19 -0.11 -2.09 0.00 0.00 0.00 176.54 173.55 2d60 h GLU 23 N -0.52 0.03 -0.29 4.80 4.81 -1.73 -1.32 114.58 120.36 2d60 h GLU 23 Ca 0.05 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2d60 h GLU 23 Cb 0.66 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2d60 h GLU 23 CO -0.47 0.02 -0.43 1.88 -0.73 0.00 0.00 179.01 179.28 2d60 h TYR 24 N 0.03 0.87 -0.21 0.92 0.99 -0.63 0.71 116.97 119.65 2d60 h TYR 24 Ca 0.41 -0.27 0.06 0.00 2.00 0.00 0.00 58.73 60.93 2d60 h TYR 24 Cb 0.69 -0.18 -0.07 0.00 1.00 0.00 0.00 36.73 38.17 2d60 h TYR 24 CO -0.55 1.02 -0.29 0.78 -0.00 0.00 0.00 178.16 179.12 2d60 h GLY 25 N 0.93 -0.31 0.96 3.88 0.00 -0.29 0.80 103.07 109.05 2d60 h GLY 25 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2d60 h GLY 25 CO 0.09 -0.21 0.18 0.00 0.00 0.00 0.00 176.54 176.60 2d60 h ALA 26 N 0.61 0.40 -0.83 3.60 0.00 -0.85 -2.00 119.26 120.18 2d60 h ALA 26 Ca 0.12 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2d60 h ALA 26 Cb 0.51 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2d60 h ALA 26 CO -0.39 -0.08 0.50 1.49 0.00 0.00 0.00 179.25 180.78 2d60 h GLU 27 N 0.39 0.87 -0.53 0.00 4.81 -0.69 -1.65 114.58 117.79 2d60 h GLU 27 Ca 0.11 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2d60 h GLU 27 Cb 0.05 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2d60 h GLU 27 CO -0.02 0.58 0.10 0.00 -0.73 0.00 0.00 179.01 178.94 2d60 h ALA 28 N 1.41 1.18 -0.33 2.92 0.00 -0.39 0.42 119.26 124.48 2d60 h ALA 28 Ca 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2d60 h ALA 28 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2d60 h ALA 28 CO -0.19 0.55 0.01 -0.07 0.00 0.00 0.00 179.25 179.55 2d60 h LEU 29 N 0.79 0.56 -0.18 0.00 3.38 -0.97 0.43 115.31 119.31 2d60 h LEU 29 Ca 0.17 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2d60 h LEU 29 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2d60 h LEU 29 CO 0.00 0.72 -0.01 -0.08 0.09 0.00 0.00 178.44 179.16 2d60 h GLU 30 N 0.38 0.04 -0.53 1.13 4.81 -0.81 0.13 114.58 119.74 2d60 h GLU 30 Ca 0.09 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2d60 h GLU 30 Cb 0.43 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 2d60 h GLU 30 CO 0.01 0.03 0.04 0.00 -0.73 0.00 0.00 179.01 178.36 2d60 h ARG 31 N 0.04 0.15 -0.48 1.92 3.08 -0.75 -2.00 114.38 116.34 2d60 h ARG 31 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2d60 h ARG 31 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2d60 h ARG 31 CO -0.15 0.10 0.31 1.98 -1.07 0.00 0.00 179.97 181.13 2d60 h MET 32 N 0.16 0.64 -0.34 0.04 4.05 -0.10 0.58 114.93 119.96 2d60 h MET 32 Ca 0.27 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 2d60 h MET 32 Cb 0.41 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2d60 h MET 32 CO -0.42 0.44 0.08 0.74 0.23 0.00 0.00 176.91 177.99 2d60 h PHE 33 N 0.65 0.49 0.13 1.39 0.04 -0.47 0.14 116.94 119.31 2d60 h PHE 33 Ca 0.17 -0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.63 2d60 h PHE 33 Cb -0.05 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.95 2d60 h PHE 33 CO -0.04 0.43 -1.45 -0.07 -0.60 0.00 0.00 178.31 176.59 2d60 h LEU 34 N 0.49 0.43 -0.78 1.54 3.38 -1.24 -3.27 115.31 115.85 2d60 h LEU 34 Ca 0.12 -0.87 -0.12 0.00 0.09 0.00 0.00 57.88 57.09 2d60 h LEU 34 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2d60 h LEU 34 CO -0.00 1.64 -0.35 0.28 0.09 0.00 0.00 178.44 180.10 2d60 h SER 35 N -0.23 0.54 -2.47 -0.43 0.02 -0.86 -3.40 113.55 106.72 2d60 h SER 35 Ca -0.30 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 59.84 2d60 h SER 35 Cb 1.82 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 63.82 2d60 h SER 35 CO 0.09 0.84 -0.90 0.49 -1.14 0.00 0.00 176.83 176.21 2d60 n PHE 36 N -4.06 0.04 0.12 3.45 3.01 0.48 -5.00 117.46 115.50 2d60 n PHE 36 Ca -0.01 -3.54 0.17 0.00 1.01 0.00 0.00 57.45 55.07 2d60 n PHE 36 Cb 0.47 0.02 0.73 0.00 -0.01 0.00 0.00 39.48 40.69 2d60 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2d60 h PRO 37 N 5.41 0.00 0.00 -1.08 0.11 -1.75 -0.38 132.00 134.31 2d60 h PRO 37 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 2d60 h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2d60 h PRO 37 CO 0.46 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.02 2d60 h THR 38 N 0.00 0.38 0.00 -1.15 1.35 -1.91 0.18 112.91 111.75 2d60 h THR 38 Ca 0.14 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2d60 h THR 38 Cb 0.64 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2d60 h THR 38 CO -0.00 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 176.00 2d60 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.37 -2.37 112.91 117.34 2d60 h THR 39 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2d60 h THR 39 Cb 0.08 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2d60 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 2d60 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -0.81 -2.88 116.57 119.17 2d60 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d60 h LYS 40 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2d60 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2d60 h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.60 0.32 112.91 112.82 2d60 h THR 41 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2d60 h THR 41 Cb 0.30 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2d60 h THR 41 CO 0.00 0.00 -0.15 -1.22 -0.25 0.00 0.00 175.52 173.90 2d60 n TYR 42 N -2.60 0.00 -2.48 4.73 4.01 -1.09 -4.37 117.16 115.36 2d60 n TYR 42 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 2d60 n TYR 42 Cb 0.20 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2d60 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2d60 n PHE 43 N -1.04 2.38 0.29 -0.72 3.01 0.11 -4.86 117.46 116.64 2d60 n PHE 43 Ca 0.12 -2.71 0.16 0.00 1.01 0.00 0.00 57.45 56.04 2d60 n PHE 43 Cb 0.30 -0.23 0.59 0.00 -0.01 0.00 0.00 39.48 40.12 2d60 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d60 h PRO 44 N 2.61 0.00 0.00 -1.08 0.13 -1.76 -2.01 132.00 129.89 2d60 h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2d60 h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2d60 h PRO 44 CO 0.65 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.03 2d60 n HIS 45 N -3.00 0.47 -3.74 1.56 1.44 -1.26 -4.86 115.22 105.82 2d60 n HIS 45 Ca 0.01 0.14 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 2d60 n HIS 45 Cb 0.34 -0.72 -0.05 0.00 0.12 0.00 0.00 29.99 29.68 2d60 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d60 s PHE 46 N -3.05 3.52 -0.28 -1.40 2.99 -0.76 -5.05 117.98 113.95 2d60 s PHE 46 Ca 0.12 0.52 -0.29 0.00 0.00 0.00 0.00 56.93 57.28 2d60 s PHE 46 Cb 0.16 -1.97 0.00 0.00 0.00 0.00 0.00 43.02 41.21 2d60 s PHE 46 CO 0.56 0.52 1.24 0.34 -0.00 0.00 0.00 175.22 177.89 2d60 s ASP 47 N -2.17 6.78 -0.02 1.36 -1.08 -1.26 -4.94 116.67 115.34 2d60 s ASP 47 Ca 0.35 1.25 0.20 0.00 -0.52 0.00 0.00 52.55 53.84 2d60 s ASP 47 Cb -0.13 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.41 2d60 s ASP 47 CO 0.22 -0.98 1.52 0.18 0.52 0.00 0.00 175.17 176.63 2d60 n LEU 48 N 7.28 3.83 -4.76 -1.34 4.77 -1.26 -4.58 117.00 120.94 2d60 n LEU 48 Ca 0.14 -1.92 -0.32 0.00 -0.03 0.00 0.00 56.01 53.88 2d60 n LEU 48 Cb 0.46 -0.48 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2d60 n LEU 48 CO 0.61 0.89 0.72 -0.94 -1.33 0.00 0.00 177.39 177.35 2d60 s SER 49 N -0.98 4.61 0.06 -1.43 1.04 -1.26 -4.91 113.70 110.84 2d60 s SER 49 Ca 0.46 1.98 -0.36 0.00 0.48 0.00 0.00 55.95 58.51 2d60 s SER 49 Cb 0.25 -2.54 -0.16 0.00 0.10 0.00 0.00 66.02 63.67 2d60 s SER 49 CO 0.30 -1.97 1.43 1.57 0.98 0.00 0.00 173.24 175.55 2d60 n HIS 50 N -3.03 1.72 -0.19 5.02 -0.00 -1.26 -1.67 115.22 115.81 2d60 n HIS 50 Ca 0.10 0.55 0.00 0.00 0.46 0.00 0.00 57.72 58.83 2d60 n HIS 50 Cb 0.52 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.00 2d60 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d60 n GLY 51 N 2.87 0.70 3.69 1.57 0.00 -1.26 -5.00 105.19 107.76 2d60 n GLY 51 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 2d60 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d60 n SER 52 N 0.00 3.72 0.28 1.61 2.88 -0.67 -4.87 113.62 116.58 2d60 n SER 52 Ca 0.00 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.69 2d60 n SER 52 Cb 0.00 -1.50 0.80 0.00 -0.75 0.00 0.00 64.21 62.76 2d60 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d60 h ALA 53 N 7.53 1.63 -0.37 -1.46 0.00 -1.90 -1.30 119.26 123.38 2d60 h ALA 53 Ca -0.45 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 2d60 h ALA 53 Cb 1.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2d60 h ALA 53 CO 0.93 0.03 -0.38 1.96 0.00 0.00 0.00 179.25 181.80 2d60 h GLN 54 N 0.00 0.91 -0.45 0.00 4.20 -1.89 -0.43 115.11 117.45 2d60 h GLN 54 Ca -0.00 -0.49 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 2d60 h GLN 54 Cb 0.06 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2d60 h GLN 54 CO 0.00 1.14 -0.06 0.28 -0.67 0.00 0.00 178.83 179.52 2d60 h VAL 55 N 0.73 1.25 -0.27 -0.54 2.07 -1.70 -0.51 116.25 117.28 2d60 h VAL 55 Ca 0.06 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 2d60 h VAL 55 Cb 0.97 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2d60 h VAL 55 CO 0.09 0.38 -0.04 0.11 0.02 0.00 0.00 177.57 178.13 2d60 h LYS 56 N 0.72 0.50 -0.69 1.57 1.57 -1.17 0.29 116.57 119.35 2d60 h LYS 56 Ca 0.13 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2d60 h LYS 56 Cb 0.53 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2d60 h LYS 56 CO 0.03 0.70 0.24 0.78 -0.57 0.00 0.00 179.45 180.63 2d60 h GLY 57 N 0.26 1.13 1.19 3.86 0.00 -0.94 -1.48 103.07 107.08 2d60 h GLY 57 Ca 0.07 -0.65 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 2d60 h GLY 57 CO 0.02 0.61 -0.31 0.84 0.00 0.00 0.00 176.54 177.70 2d60 h HIS 58 N 0.99 1.06 -0.72 5.60 -0.00 -0.91 -2.54 115.15 118.64 2d60 h HIS 58 Ca 0.23 -0.29 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 2d60 h HIS 58 Cb 0.26 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 2d60 h HIS 58 CO 0.02 1.09 0.39 0.78 -0.00 0.00 0.00 177.93 180.21 2d60 h GLY 59 N 0.86 1.06 1.07 5.26 0.00 -0.05 0.42 103.07 111.70 2d60 h GLY 59 Ca 0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2d60 h GLY 59 CO 0.08 0.46 0.02 1.70 0.00 0.00 0.00 176.54 178.80 2d60 h LYS 60 N 1.00 1.07 -0.26 4.80 3.64 -1.18 0.10 116.57 125.74 2d60 h LYS 60 Ca 0.25 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2d60 h LYS 60 Cb 0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2d60 h LYS 60 CO -0.04 1.03 -0.01 0.87 -2.27 0.00 0.00 179.45 179.03 2d60 h LYS 61 N 0.97 0.47 -0.09 1.90 1.57 -0.83 -1.17 116.57 119.39 2d60 h LYS 61 Ca 0.18 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2d60 h LYS 61 Cb 0.53 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2d60 h LYS 61 CO 0.03 0.64 -0.08 0.28 -0.57 0.00 0.00 179.45 179.74 2d60 h VAL 62 N 0.24 0.76 -0.76 0.50 2.07 -0.79 -1.50 116.25 116.76 2d60 h VAL 62 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2d60 h VAL 62 Cb 0.43 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2d60 h VAL 62 CO 0.01 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.07 2d60 h ALA 63 N 0.97 1.03 -0.33 1.67 0.00 -0.90 -1.51 119.26 120.18 2d60 h ALA 63 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2d60 h ALA 63 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2d60 h ALA 63 CO -0.15 0.21 -0.02 -0.44 0.00 0.00 0.00 179.25 178.85 2d60 h ASP 64 N 0.87 0.49 -0.53 0.00 3.32 -0.94 0.15 116.42 119.78 2d60 h ASP 64 Ca 0.33 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2d60 h ASP 64 Cb 0.12 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2d60 h ASP 64 CO -0.15 0.57 0.24 0.00 -1.72 0.00 0.00 179.24 178.18 2d60 h ALA 65 N 1.49 0.68 -0.46 3.45 0.00 -0.54 -0.44 119.26 123.44 2d60 h ALA 65 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2d60 h ALA 65 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2d60 h ALA 65 CO 0.01 0.26 -0.10 -0.07 0.00 0.00 0.00 179.25 179.35 2d60 h LEU 66 N 0.71 0.81 -0.62 0.00 3.38 -0.70 0.75 115.31 119.64 2d60 h LEU 66 Ca 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2d60 h LEU 66 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2d60 h LEU 66 CO -0.02 0.93 0.20 0.74 0.09 0.00 0.00 178.44 180.39 2d60 h THR 67 N 0.74 1.24 -0.67 0.22 2.02 -0.54 0.13 112.91 116.05 2d60 h THR 67 Ca 0.13 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 2d60 h THR 67 Cb 0.59 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2d60 h THR 67 CO 0.04 0.31 0.11 -1.13 0.37 0.00 0.00 175.52 175.22 2d60 h ASN 68 N 0.87 1.05 -0.29 4.18 -1.24 -0.23 -1.30 115.58 118.62 2d60 h ASN 68 Ca 0.20 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 2d60 h ASN 68 Cb 0.27 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2d60 h ASN 68 CO -0.01 1.03 0.13 0.00 -1.29 0.00 0.00 177.43 177.30 2d60 h ALA 69 N 1.09 0.38 -0.83 1.57 0.00 0.13 -2.13 119.26 119.46 2d60 h ALA 69 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2d60 h ALA 69 Cb 0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2d60 h ALA 69 CO 0.01 -0.05 0.54 0.28 0.00 0.00 0.00 179.25 180.02 2d60 h VAL 70 N 0.33 1.15 0.00 0.00 2.07 -0.59 -1.47 116.25 117.74 2d60 h VAL 70 Ca 0.10 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2d60 h VAL 70 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2d60 h VAL 70 CO -0.01 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.77 2d60 h ALA 71 N 1.33 1.00 -0.90 1.67 0.00 -1.05 -2.92 119.26 118.39 2d60 h ALA 71 Ca 0.32 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.76 2d60 h ALA 71 Cb -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.34 2d60 h ALA 71 CO -0.10 0.00 -0.90 0.72 0.00 0.00 0.00 179.25 178.97 2d60 n HIS 72 N -2.69 2.44 0.26 0.00 8.25 -0.82 -4.89 115.22 117.78 2d60 n HIS 72 Ca 0.02 -2.48 0.08 0.00 -0.26 0.00 0.00 57.72 55.08 2d60 n HIS 72 Cb 0.29 -0.26 0.65 0.00 1.12 0.00 0.00 29.99 31.79 2d60 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2d60 h VAL 73 N 3.05 0.97 0.00 1.59 3.04 -1.09 0.20 116.25 124.02 2d60 h VAL 73 Ca 0.20 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 2d60 h VAL 73 Cb 1.30 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2d60 h VAL 73 CO 0.64 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.67 2d60 n ASP 74 N -4.49 0.00 -2.78 3.17 8.00 -1.26 -4.15 116.55 115.03 2d60 n ASP 74 Ca -0.03 0.27 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 2d60 n ASP 74 Cb 0.10 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2d60 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2d60 n ASP 75 N -1.42 1.07 -0.12 -2.24 -0.08 0.68 -4.98 116.55 109.46 2d60 n ASP 75 Ca 0.08 -2.17 -0.10 0.00 -1.51 0.00 0.00 54.79 51.09 2d60 n ASP 75 Cb 0.26 -0.30 -0.02 0.00 2.34 0.00 0.00 41.12 43.40 2d60 n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2d60 h MET 76 N 2.46 0.58 -0.83 -0.67 2.86 -1.60 -2.83 114.93 114.90 2d60 h MET 76 Ca -0.18 -0.14 0.18 0.00 -2.06 0.00 0.00 59.70 57.50 2d60 h MET 76 Cb 1.26 -0.07 -0.16 0.00 0.06 0.00 0.00 31.60 32.69 2d60 h MET 76 CO 0.18 0.63 -0.14 -1.35 1.06 0.00 0.00 176.91 177.29 2d60 h PRO 77 N 0.43 0.02 0.39 -0.22 0.11 -1.94 -0.59 132.00 130.20 2d60 h PRO 77 Ca 0.11 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2d60 h PRO 77 Cb 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2d60 h PRO 77 CO 0.00 0.01 -0.19 -0.91 -0.21 0.00 0.00 178.00 176.71 2d60 h ASN 78 N 0.02 -0.44 -1.08 -2.05 -0.26 -1.95 -2.64 115.58 107.18 2d60 h ASN 78 Ca 0.42 -0.13 0.29 0.00 -0.56 0.00 0.00 56.30 56.32 2d60 h ASN 78 Cb 0.69 0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 37.96 2d60 h ASN 78 CO -0.83 -0.04 0.69 0.00 -1.06 0.00 0.00 177.43 176.19 2d60 h ALA 79 N -0.56 2.28 -0.66 -0.83 0.00 -1.18 -1.06 119.26 117.25 2d60 h ALA 79 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2d60 h ALA 79 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2d60 h ALA 79 CO 0.09 -0.72 0.00 1.28 0.00 0.00 0.00 179.25 179.89 2d60 n LEU 80 N -4.66 4.77 -0.18 0.00 4.77 -0.28 -4.64 117.00 116.79 2d60 n LEU 80 Ca 0.27 -2.41 -0.10 0.00 -0.03 0.00 0.00 56.01 53.74 2d60 n LEU 80 Cb 0.95 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2d60 n LEU 80 CO 0.24 0.81 0.76 -1.28 -1.33 0.00 0.00 177.39 176.59 2d60 h SER 81 N 4.13 0.95 -0.38 -1.43 0.87 -0.81 0.43 113.55 117.32 2d60 h SER 81 Ca 0.00 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.11 2d60 h SER 81 Cb 1.45 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2d60 h SER 81 CO 0.23 1.07 -0.18 0.00 -0.53 0.00 0.00 176.83 177.42 2d60 h ALA 82 N 0.92 0.84 -0.10 6.23 0.00 -1.82 0.76 119.26 126.10 2d60 h ALA 82 Ca 0.14 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2d60 h ALA 82 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2d60 h ALA 82 CO 0.04 0.64 -0.63 -0.07 0.00 0.00 0.00 179.25 179.23 2d60 h LEU 83 N 0.76 0.41 -0.88 0.00 4.07 -1.57 -1.65 115.31 116.45 2d60 h LEU 83 Ca 0.11 -0.24 -0.11 0.00 0.08 0.00 0.00 57.88 57.72 2d60 h LEU 83 Cb 0.71 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2d60 h LEU 83 CO 0.05 0.94 -0.36 0.77 -1.08 0.00 0.00 178.44 178.76 2d60 h SER 84 N 0.26 0.41 -0.31 -0.43 4.64 0.39 -0.88 113.55 117.63 2d60 h SER 84 Ca -0.01 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2d60 h SER 84 Cb 1.16 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2d60 h SER 84 CO 0.11 0.74 0.13 0.44 -0.87 0.00 0.00 176.83 177.38 2d60 h ASP 85 N 0.34 0.41 -0.67 4.97 3.32 -0.67 -0.68 116.42 123.43 2d60 h ASP 85 Ca 0.04 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2d60 h ASP 85 Cb 0.79 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2d60 h ASP 85 CO 0.06 0.44 0.28 0.25 -1.72 0.00 0.00 179.24 178.55 2d60 h LEU 86 N 0.35 0.91 -0.24 1.55 5.85 -1.24 -0.98 115.31 121.51 2d60 h LEU 86 Ca 0.10 -0.16 -0.21 0.00 0.84 0.00 0.00 57.88 58.45 2d60 h LEU 86 Cb 0.15 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2d60 h LEU 86 CO -0.01 0.82 -0.85 0.45 -0.34 0.00 0.00 178.44 178.51 2d60 h HIS 87 N 0.94 0.70 -0.56 1.25 3.86 -1.09 -1.52 115.15 118.72 2d60 h HIS 87 Ca 0.22 -0.34 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 2d60 h HIS 87 Cb 0.19 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2d60 h HIS 87 CO 0.01 1.14 -0.09 0.00 0.86 0.00 0.00 177.93 179.86 2d60 h ALA 88 N 0.75 0.78 0.00 2.45 0.00 -0.77 0.16 119.26 122.63 2d60 h ALA 88 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2d60 h ALA 88 Cb 1.46 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2d60 h ALA 88 CO 0.15 0.68 -0.48 0.72 0.00 0.00 0.00 179.25 180.32 2d60 n HIS 89 N -4.15 0.00 0.02 0.00 8.25 -0.40 -4.56 115.22 114.38 2d60 n HIS 89 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2d60 n HIS 89 Cb 0.39 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2d60 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d60 n LYS 90 N -1.25 0.00 -0.06 -0.41 4.76 -0.97 -4.90 118.16 115.33 2d60 n LYS 90 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 2d60 n LYS 90 Cb 0.08 -0.21 -0.04 0.00 -1.84 0.00 0.00 35.03 33.02 2d60 n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2d60 h LEU 91 N 0.00 0.28 -0.58 -0.35 3.38 -1.43 -3.47 115.31 113.15 2d60 h LEU 91 Ca 0.00 -0.18 -0.40 0.00 0.09 0.00 0.00 57.88 57.39 2d60 h LEU 91 Cb 0.00 -0.07 0.13 0.00 0.09 0.00 0.00 40.66 40.80 2d60 h LEU 91 CO 0.00 0.38 -0.67 0.54 0.09 0.00 0.00 178.44 178.79 2d60 n ARG 92 N -4.82 -7.50 -1.79 1.13 1.74 0.04 -4.93 116.66 100.53 2d60 n ARG 92 Ca -0.04 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 2d60 n ARG 92 Cb 0.13 -5.85 -0.03 0.00 -1.02 0.00 0.00 32.46 25.69 2d60 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2d60 s VAL 93 N -3.30 2.79 0.27 1.55 1.01 -1.26 -4.94 120.40 116.53 2d60 s VAL 93 Ca 0.54 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 2d60 s VAL 93 Cb -0.24 -3.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 2d60 s VAL 93 CO 0.67 -0.00 1.58 -0.67 0.00 0.00 0.00 175.10 176.68 2d60 n ASP 94 N 5.93 3.68 -0.15 3.32 2.03 -1.26 -4.83 116.55 125.27 2d60 n ASP 94 Ca 0.17 1.14 0.28 0.00 0.52 0.00 0.00 54.79 56.90 2d60 n ASP 94 Cb 0.39 -1.56 0.72 0.00 -0.72 0.00 0.00 41.12 39.96 2d60 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2d60 h PRO 95 N 4.93 0.00 -0.96 -0.67 0.11 -2.00 -1.81 132.00 131.61 2d60 h PRO 95 Ca -0.46 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.86 2d60 h PRO 95 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2d60 h PRO 95 CO 0.81 0.00 0.62 -0.24 -0.21 0.00 0.00 178.00 178.98 2d60 h VAL 96 N 0.00 0.66 0.00 3.15 3.04 -2.03 -2.32 116.25 118.75 2d60 h VAL 96 Ca 0.40 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.87 2d60 h VAL 96 Cb 1.67 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2d60 h VAL 96 CO -0.00 0.09 -0.22 0.78 -1.01 0.00 0.00 177.57 177.20 2d60 h ASN 97 N 0.50 0.00 0.13 3.17 2.35 -1.67 -2.56 115.58 117.49 2d60 h ASN 97 Ca 0.52 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.26 2d60 h ASN 97 Cb 1.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 2d60 h ASN 97 CO -0.25 0.22 -0.07 -0.26 -1.65 0.00 0.00 177.43 175.43 2d60 h PHE 98 N 0.00 0.00 -0.09 1.19 0.04 -1.59 -1.75 116.94 114.73 2d60 h PHE 98 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.54 2d60 h PHE 98 Cb 0.41 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.57 2d60 h PHE 98 CO 0.00 0.07 -0.83 0.87 -0.60 0.00 0.00 178.31 177.82 2d60 h LYS 99 N 0.00 0.65 -0.25 1.51 1.57 -1.62 -0.78 116.57 117.66 2d60 h LYS 99 Ca -0.00 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2d60 h LYS 99 Cb 0.15 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2d60 h LYS 99 CO 0.01 1.19 0.10 -0.07 -0.57 0.00 0.00 179.45 180.11 2d60 h LEU 100 N 0.43 0.34 -0.46 2.94 3.38 -1.41 -1.44 115.31 119.09 2d60 h LEU 100 Ca -0.06 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2d60 h LEU 100 Cb 1.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2d60 h LEU 100 CO 0.16 0.41 -0.23 0.25 0.09 0.00 0.00 178.44 179.11 2d60 h LEU 101 N 0.25 1.00 -0.34 1.67 5.85 -1.35 -1.96 115.31 120.43 2d60 h LEU 101 Ca 0.08 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2d60 h LEU 101 Cb 0.17 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2d60 h LEU 101 CO -0.01 1.19 -0.04 0.28 -0.34 0.00 0.00 178.44 179.52 2d60 h SER 102 N 0.82 -0.22 -0.63 1.25 0.02 -1.12 0.39 113.55 114.06 2d60 h SER 102 Ca 0.10 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2d60 h SER 102 Cb 0.82 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2d60 h SER 102 CO 0.07 -0.07 0.41 -0.74 -1.14 0.00 0.00 176.83 175.36 2d60 h HIS 103 N 0.05 0.77 -0.08 3.45 -0.00 -1.10 0.35 115.15 118.59 2d60 h HIS 103 Ca 0.17 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.44 2d60 h HIS 103 Cb 0.24 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2d60 h HIS 103 CO -0.27 0.47 -0.45 0.00 -0.00 0.00 0.00 177.93 177.68 2d60 h LEU 105 N 0.16 0.33 -0.56 0.00 3.38 0.58 -1.87 115.31 117.33 2d60 h LEU 105 Ca 0.01 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.73 2d60 h LEU 105 Cb 0.87 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 2d60 h LEU 105 CO 0.07 0.61 0.08 -0.07 0.09 0.00 0.00 178.44 179.22 2d60 h LEU 106 N 0.04 -0.08 -0.46 1.67 3.38 -0.71 -0.57 115.31 118.59 2d60 h LEU 106 Ca 0.04 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2d60 h LEU 106 Cb 0.46 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2d60 h LEU 106 CO 0.02 -0.02 0.24 0.58 0.09 0.00 0.00 178.44 179.34 2d60 h VAL 107 N 0.20 0.98 -0.11 1.22 2.07 -0.90 0.00 116.25 119.71 2d60 h VAL 107 Ca 0.29 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2d60 h VAL 107 Cb 0.43 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2d60 h VAL 107 CO -0.40 0.09 -0.04 0.74 0.02 0.00 0.00 177.57 177.97 2d60 h THR 108 N 0.48 0.85 0.04 2.57 2.02 -1.11 -0.84 112.91 116.92 2d60 h THR 108 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.40 2d60 h THR 108 Cb 0.08 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2d60 h THR 108 CO -0.13 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.51 2d60 h LEU 109 N -0.03 -0.52 -0.78 2.58 3.38 -0.93 -2.50 115.31 116.51 2d60 h LEU 109 Ca 0.06 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.28 2d60 h LEU 109 Cb 0.11 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 2d60 h LEU 109 CO -0.13 -0.25 0.11 0.00 0.09 0.00 0.00 178.44 178.27 2d60 h ALA 110 N 0.56 0.96 0.00 1.53 0.00 -0.84 0.51 119.26 121.98 2d60 h ALA 110 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2d60 h ALA 110 Cb 0.37 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2d60 h ALA 110 CO -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.70 2d60 n ALA 111 N -2.80 1.76 -0.05 0.00 0.00 -0.33 -3.00 120.51 116.10 2d60 n ALA 111 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2d60 n ALA 111 Cb 0.52 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2d60 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d60 n HIS 112 N -1.49 0.00 -3.25 0.00 -0.00 -0.29 -4.86 115.22 105.33 2d60 n HIS 112 Ca 0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.50 2d60 n HIS 112 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 2d60 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2d60 n LEU 113 N -0.57 3.11 -0.24 2.41 4.77 0.01 -4.94 117.00 121.56 2d60 n LEU 113 Ca 0.00 -5.35 -0.06 0.00 -0.03 0.00 0.00 56.01 50.58 2d60 n LEU 113 Cb 0.01 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2d60 n LEU 113 CO 0.00 2.15 1.13 1.55 -1.33 0.00 0.00 177.39 180.90 2d60 h PRO 114 N 3.76 0.89 -0.06 3.23 0.13 -1.86 -1.20 132.00 136.89 2d60 h PRO 114 Ca 0.15 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2d60 h PRO 114 Cb 0.68 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2d60 h PRO 114 CO 0.74 0.62 -0.20 0.00 -0.23 0.00 0.00 178.00 178.93 2d60 h ALA 115 N 1.22 0.11 0.00 -0.56 0.00 -1.95 -3.36 119.26 114.71 2d60 h ALA 115 Ca 0.24 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2d60 h ALA 115 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2d60 h ALA 115 CO -0.05 0.07 -0.34 0.93 0.00 0.00 0.00 179.25 179.86 2d60 h GLU 116 N -0.27 0.00 -2.96 0.00 3.07 -1.95 -3.37 114.58 109.09 2d60 h GLU 116 Ca -0.01 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.20 2d60 h GLU 116 Cb 0.83 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2d60 h GLU 116 CO 0.04 0.34 3.71 0.34 -1.40 0.00 0.00 179.01 182.04 2d60 n PHE 117 N -3.26 2.33 -1.68 4.33 7.35 -0.46 -4.71 117.46 121.36 2d60 n PHE 117 Ca 0.02 -3.04 -0.30 0.00 -0.76 0.00 0.00 57.45 53.37 2d60 n PHE 117 Cb 0.61 -2.47 0.09 0.00 0.35 0.00 0.00 39.48 38.06 2d60 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d60 s THR 118 N 2.12 2.91 0.23 -2.13 -4.23 -1.26 -4.74 115.64 108.54 2d60 s THR 118 Ca 0.70 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 61.44 2d60 s THR 118 Cb 0.19 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 71.08 2d60 s THR 118 CO -0.06 -0.39 1.72 -0.65 -0.54 0.00 0.00 174.62 174.70 2d60 h PRO 119 N -1.03 0.35 -0.36 3.99 0.11 -1.98 0.05 132.00 133.12 2d60 h PRO 119 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2d60 h PRO 119 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2d60 h PRO 119 CO 0.62 0.23 0.20 0.00 -0.21 0.00 0.00 178.00 178.83 2d60 h ALA 120 N 1.52 0.46 -0.53 -0.75 0.00 -1.96 -0.70 119.26 117.30 2d60 h ALA 120 Ca 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2d60 h ALA 120 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2d60 h ALA 120 CO -0.40 -0.01 0.16 0.28 0.00 0.00 0.00 179.25 179.27 2d60 h VAL 121 N 0.46 1.24 -0.71 0.00 2.07 -1.70 -0.62 116.25 116.98 2d60 h VAL 121 Ca 0.13 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.93 2d60 h VAL 121 Cb 0.06 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 2d60 h VAL 121 CO -0.02 0.30 0.37 -0.74 0.02 0.00 0.00 177.57 177.50 2d60 h HIS 122 N 0.73 0.67 -0.29 1.57 6.17 -0.90 -0.72 115.15 122.38 2d60 h HIS 122 Ca 0.17 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.28 2d60 h HIS 122 Cb 0.29 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.01 2d60 h HIS 122 CO 0.02 0.26 0.18 0.00 0.71 0.00 0.00 177.93 179.11 2d60 h ALA 123 N 1.41 0.36 -0.58 5.26 0.00 -0.58 -1.58 119.26 123.56 2d60 h ALA 123 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2d60 h ALA 123 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2d60 h ALA 123 CO -0.25 -0.18 0.11 0.77 0.00 0.00 0.00 179.25 179.70 2d60 h SER 124 N 0.38 0.92 -0.44 0.00 0.02 -0.77 -2.13 113.55 111.53 2d60 h SER 124 Ca 0.11 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2d60 h SER 124 Cb -0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2d60 h SER 124 CO -0.03 0.94 0.17 -0.07 -1.14 0.00 0.00 176.83 176.70 2d60 h LEU 125 N 0.86 0.60 -0.50 5.07 3.38 -1.05 0.21 115.31 123.88 2d60 h LEU 125 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2d60 h LEU 125 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2d60 h LEU 125 CO 0.01 0.61 0.30 -0.78 0.09 0.00 0.00 178.44 178.67 2d60 h ASP 126 N 0.56 0.59 -0.85 -0.43 3.58 -1.16 0.50 116.42 119.22 2d60 h ASP 126 Ca 0.15 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.61 2d60 h ASP 126 Cb 0.19 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.03 2d60 h ASP 126 CO -0.01 0.47 0.53 0.11 -2.88 0.00 0.00 179.24 177.45 2d60 h LYS 127 N 0.67 0.93 -0.25 0.28 1.57 -1.04 -0.42 116.57 118.30 2d60 h LYS 127 Ca 0.18 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2d60 h LYS 127 Cb -0.02 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2d60 h LYS 127 CO -0.03 0.61 -0.23 0.35 -0.57 0.00 0.00 179.45 179.58 2d60 h PHE 128 N 0.96 0.71 -0.41 -1.35 3.57 -0.04 -1.13 116.94 119.24 2d60 h PHE 128 Ca 0.37 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2d60 h PHE 128 Cb 0.17 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2d60 h PHE 128 CO -0.03 0.91 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.79 2d60 h LEU 129 N 0.31 0.72 -1.30 0.59 3.38 -0.76 -0.56 115.31 117.69 2d60 h LEU 129 Ca 0.04 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2d60 h LEU 129 Cb 0.79 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2d60 h LEU 129 CO 0.06 0.85 0.48 0.00 0.09 0.00 0.00 178.44 179.92 2d60 h ALA 130 N 1.22 1.50 -0.05 1.53 0.00 -0.91 -0.27 119.26 122.28 2d60 h ALA 130 Ca 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2d60 h ALA 130 Cb 0.56 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2d60 h ALA 130 CO 0.03 0.45 -0.58 1.03 0.00 0.00 0.00 179.25 180.19 2d60 h SER 131 N 0.96 0.60 -0.55 0.00 0.87 -0.64 -0.37 113.55 114.42 2d60 h SER 131 Ca 0.27 -0.70 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2d60 h SER 131 Cb -0.08 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 2d60 h SER 131 CO -0.06 1.21 0.32 0.58 -0.53 0.00 0.00 176.83 178.35 2d60 h VAL 132 N 0.04 1.04 -0.35 2.23 2.07 -1.02 -1.50 116.25 118.77 2d60 h VAL 132 Ca -0.06 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2d60 h VAL 132 Cb 1.25 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2d60 h VAL 132 CO 0.12 0.12 0.18 0.28 0.02 0.00 0.00 177.57 178.28 2d60 h SER 133 N 0.64 0.28 -0.31 0.57 0.02 -0.89 -0.14 113.55 113.71 2d60 h SER 133 Ca 0.23 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2d60 h SER 133 Cb 0.05 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2d60 h SER 133 CO -0.11 0.20 0.06 0.74 -1.14 0.00 0.00 176.83 176.58 2d60 h THR 134 N 0.37 0.84 -0.85 -2.27 2.02 -0.78 -1.52 112.91 110.73 2d60 h THR 134 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2d60 h THR 134 Cb 0.04 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2d60 h THR 134 CO -0.09 0.03 0.48 0.58 0.37 0.00 0.00 175.52 176.89 2d60 h VAL 135 N 0.17 1.24 0.00 3.16 2.07 -0.90 -1.76 116.25 120.24 2d60 h VAL 135 Ca 0.15 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2d60 h VAL 135 Cb 0.16 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2d60 h VAL 135 CO -0.20 0.27 -0.15 -0.07 0.02 0.00 0.00 177.57 177.44 2d60 h LEU 136 N 1.17 0.00 -2.21 2.57 3.38 -0.33 -2.05 115.31 117.84 2d60 h LEU 136 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2d60 h LEU 136 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2d60 h LEU 136 CO -0.05 0.15 0.00 0.35 0.09 0.00 0.00 178.44 178.98 2d60 n THR 137 N -3.41 0.47 0.44 0.22 -2.24 -0.64 -4.54 114.28 104.59 2d60 n THR 137 Ca -0.01 -0.74 0.11 0.00 -2.27 0.00 0.00 64.05 61.14 2d60 n THR 137 Cb 0.34 0.95 0.44 0.00 -2.10 0.00 0.00 70.33 69.96 2d60 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2d60 n SER 138 N 1.02 0.48 -1.09 3.42 3.41 -0.69 -2.11 113.62 118.07 2d60 n SER 138 Ca 0.14 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 2d60 n SER 138 Cb 0.48 -0.72 0.26 0.00 -0.26 0.00 0.00 64.21 63.97 2d60 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2d60 n LYS 139 N -2.02 3.23 0.16 4.33 5.02 -1.26 -4.67 118.16 122.95 2d60 n LYS 139 Ca 0.03 -2.60 0.01 0.00 -2.02 0.00 0.00 58.31 53.73 2d60 n LYS 139 Cb 0.22 -1.67 0.32 0.00 -0.02 0.00 0.00 35.03 33.87 2d60 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2d60 h TYR 140 N 2.79 0.05 0.00 2.13 0.99 -1.75 -3.46 116.97 117.72 2d60 h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2d60 h TYR 140 Cb 1.21 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.93 2d60 h TYR 140 CO 0.52 0.44 0.00 2.89 -0.00 0.00 0.00 178.16 182.00