#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdl n LEU 2 N 0.00 -5.87 -4.79 1.34 4.32 -1.26 -5.01 117.00 105.73 1sdl n LEU 2 Ca 0.00 0.19 -0.38 0.00 -0.02 0.00 0.00 56.01 55.79 1sdl n LEU 2 Cb 0.00 -2.76 -0.06 0.00 -1.62 0.00 0.00 43.42 38.98 1sdl n LEU 2 CO 0.00 -1.38 0.46 -0.55 -1.22 0.00 0.00 177.39 174.70 1sdl s SER 3 N -2.32 7.26 0.24 -1.43 0.15 -1.26 -4.96 113.70 111.38 1sdl s SER 3 Ca 0.25 1.56 -0.06 0.00 0.70 0.00 0.00 55.95 58.41 1sdl s SER 3 Cb -0.05 -2.47 0.45 0.00 -1.71 0.00 0.00 66.02 62.24 1sdl s SER 3 CO 0.81 0.14 1.68 -0.65 1.20 0.00 0.00 173.24 176.41 1sdl h PRO 4 N 3.95 0.23 0.00 5.44 0.11 -1.95 0.65 132.00 140.43 1sdl h PRO 4 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1sdl h PRO 4 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sdl h PRO 4 CO 0.65 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1sdl h ALA 5 N 1.62 1.00 -0.16 -0.75 0.00 -2.03 -3.22 119.26 115.72 1sdl h ALA 5 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 1sdl h ALA 5 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sdl h ALA 5 CO -0.53 0.00 -0.25 -0.44 0.00 0.00 0.00 179.25 178.03 1sdl h ASP 6 N 0.00 0.49 -3.64 0.00 3.32 -0.08 -3.28 116.42 113.23 1sdl h ASP 6 Ca 0.00 -0.53 -0.51 0.00 0.02 0.00 0.00 57.03 56.01 1sdl h ASP 6 Cb 0.66 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1sdl h ASP 6 CO 0.00 0.93 0.45 -0.54 -1.72 0.00 0.00 179.24 178.36 1sdl s LYS 7 N -4.11 4.64 0.00 3.56 1.02 -1.05 -0.76 119.74 123.04 1sdl s LYS 7 Ca -0.14 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1sdl s LYS 7 Cb 0.06 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1sdl s LYS 7 CO 0.78 0.16 0.00 -2.37 -0.92 0.00 0.00 175.35 173.01 1sdl n THR 8 N 2.05 0.00 0.02 2.17 5.66 -1.26 -4.59 114.28 118.33 1sdl n THR 8 Ca 0.01 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.83 1sdl n THR 8 Cb 0.46 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.10 1sdl n THR 8 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1sdl h ASN 9 N 0.86 0.36 0.68 1.09 -0.26 -1.52 0.12 115.58 116.91 1sdl h ASN 9 Ca 0.00 -0.95 -0.03 0.00 -0.56 0.00 0.00 56.30 54.75 1sdl h ASN 9 Cb 0.00 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1sdl h ASN 9 CO 0.00 1.29 -0.33 0.58 -1.06 0.00 0.00 177.43 177.91 1sdl h VAL 10 N -0.51 0.10 -0.77 2.81 2.07 -1.20 -0.66 116.25 118.11 1sdl h VAL 10 Ca -0.10 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1sdl h VAL 10 Cb 1.47 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 1sdl h VAL 10 CO 0.11 0.01 0.32 0.11 0.02 0.00 0.00 177.57 178.14 1sdl h LYS 11 N -1.19 0.45 -0.33 1.57 1.57 -1.81 0.56 116.57 117.39 1sdl h LYS 11 Ca -0.09 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1sdl h LYS 11 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1sdl h LYS 11 CO 0.15 0.30 0.04 0.00 -0.57 0.00 0.00 179.45 179.37 1sdl h ALA 12 N 1.55 0.44 -0.53 3.86 0.00 -0.71 -0.16 119.26 123.70 1sdl h ALA 12 Ca 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1sdl h ALA 12 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1sdl h ALA 12 CO -0.40 0.15 0.18 0.00 0.00 0.00 0.00 179.25 179.18 1sdl h ALA 13 N 0.88 0.70 -0.27 0.00 0.00 -0.10 -0.62 119.26 119.86 1sdl h ALA 13 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1sdl h ALA 13 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sdl h ALA 13 CO 0.01 0.35 -0.02 2.35 0.00 0.00 0.00 179.25 181.94 1sdl h TRP 14 N 0.73 0.41 -0.71 0.00 2.91 0.17 -2.52 115.95 116.95 1sdl h TRP 14 Ca 0.17 -0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.29 1sdl h TRP 14 Cb 0.26 -0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 28.70 1sdl h TRP 14 CO 0.01 0.43 0.27 0.78 -1.03 0.00 0.00 178.44 178.90 1sdl h GLY 15 N 0.74 1.04 2.00 2.65 0.00 0.55 -0.89 103.07 109.15 1sdl h GLY 15 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sdl h GLY 15 CO 0.01 -0.08 0.00 0.50 0.00 0.00 0.00 176.54 176.97 1sdl h LYS 16 N 0.42 0.00 -0.22 4.80 1.79 -0.98 -3.03 116.57 119.35 1sdl h LYS 16 Ca 0.38 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.80 1sdl h LYS 16 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1sdl h LYS 16 CO -0.38 0.00 -0.07 0.28 -1.08 0.00 0.00 179.45 178.20 1sdl h VAL 17 N 0.00 1.29 0.00 0.50 2.07 -0.99 -3.45 116.25 115.67 1sdl h VAL 17 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1sdl h VAL 17 Cb 0.76 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1sdl h VAL 17 CO 0.00 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1sdl n GLY 18 N -0.11 2.09 0.00 2.17 0.00 -0.95 -0.33 105.19 108.06 1sdl n GLY 18 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1sdl n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdl n ALA 19 N 8.84 1.20 0.86 4.61 0.00 -1.26 -1.56 120.51 133.19 1sdl n ALA 19 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1sdl n ALA 19 Cb 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1sdl n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdl n HIS 20 N -1.27 0.00 -0.27 0.00 8.25 0.55 -4.63 115.22 117.85 1sdl n HIS 20 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1sdl n HIS 20 Cb 0.01 -0.08 0.14 0.00 1.12 0.00 0.00 29.99 31.18 1sdl n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sdl n ALA 21 N -1.61 0.25 -0.06 -1.41 0.00 -0.60 -1.14 120.51 115.94 1sdl n ALA 21 Ca 0.03 0.83 -0.12 0.00 0.00 0.00 0.00 53.44 54.18 1sdl n ALA 21 Cb 0.36 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 1sdl n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sdl h GLY 22 N 0.00 0.39 1.81 0.00 0.00 -1.83 -1.30 103.07 102.14 1sdl h GLY 22 Ca 0.39 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1sdl h GLY 22 CO -0.76 0.28 -0.28 -2.09 0.00 0.00 0.00 176.54 173.70 1sdl h GLU 23 N 0.08 0.22 -0.15 4.80 4.81 -1.45 -1.39 114.58 121.51 1sdl h GLU 23 Ca 0.05 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1sdl h GLU 23 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1sdl h GLU 23 CO 0.02 0.49 -0.43 1.88 -0.73 0.00 0.00 179.01 180.23 1sdl h TYR 24 N 0.20 0.43 -0.33 0.92 0.05 -0.99 -2.14 116.97 115.12 1sdl h TYR 24 Ca 0.03 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1sdl h TYR 24 Cb 0.60 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1sdl h TYR 24 CO 0.01 0.74 0.15 0.78 -1.05 0.00 0.00 178.16 178.79 1sdl h GLY 25 N 1.19 0.51 1.10 3.88 0.00 -0.59 -0.93 103.07 108.24 1sdl h GLY 25 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1sdl h GLY 25 CO 0.07 0.25 0.28 0.00 0.00 0.00 0.00 176.54 177.14 1sdl h ALA 26 N 1.00 1.07 -0.42 3.60 0.00 -1.09 -2.01 119.26 121.41 1sdl h ALA 26 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sdl h ALA 26 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sdl h ALA 26 CO -0.01 0.65 0.21 1.49 0.00 0.00 0.00 179.25 181.59 1sdl h GLU 27 N 1.11 0.59 -0.65 0.00 4.81 -1.12 -1.21 114.58 118.11 1sdl h GLU 27 Ca 0.25 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1sdl h GLU 27 Cb 0.24 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1sdl h GLU 27 CO -0.02 0.50 0.39 0.00 -0.73 0.00 0.00 179.01 179.16 1sdl h ALA 28 N 1.06 0.86 -0.23 2.92 0.00 -0.97 0.23 119.26 123.12 1sdl h ALA 28 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sdl h ALA 28 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sdl h ALA 28 CO -0.02 0.11 0.12 -0.07 0.00 0.00 0.00 179.25 179.39 1sdl h LEU 29 N 0.75 0.30 -0.96 0.00 3.38 -1.02 0.29 115.31 118.03 1sdl h LEU 29 Ca 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1sdl h LEU 29 Cb 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1sdl h LEU 29 CO -0.13 0.32 0.46 -0.08 0.09 0.00 0.00 178.44 179.10 1sdl h GLU 30 N 0.25 1.19 -0.38 1.13 4.81 -0.84 -0.26 114.58 120.48 1sdl h GLU 30 Ca 0.08 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1sdl h GLU 30 Cb 0.10 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1sdl h GLU 30 CO -0.01 0.87 0.23 0.00 -0.73 0.00 0.00 179.01 179.38 1sdl h ARG 31 N 1.20 0.51 -0.47 1.92 3.08 -0.16 -2.30 114.38 118.15 1sdl h ARG 31 Ca 0.30 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1sdl h ARG 31 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1sdl h ARG 31 CO -0.05 0.38 0.26 1.98 -1.07 0.00 0.00 179.97 181.47 1sdl h MET 32 N 0.50 0.66 -0.46 0.04 4.05 -0.33 -1.45 114.93 117.94 1sdl h MET 32 Ca 0.14 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1sdl h MET 32 Cb -0.01 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 1sdl h MET 32 CO -0.03 0.53 0.27 0.74 0.23 0.00 0.00 176.91 178.65 1sdl h PHE 33 N 0.63 0.50 -0.29 1.39 0.04 -0.91 0.11 116.94 118.41 1sdl h PHE 33 Ca 0.17 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.77 1sdl h PHE 33 Cb 0.06 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1sdl h PHE 33 CO -0.02 0.28 -0.55 -0.07 -0.60 0.00 0.00 178.31 177.36 1sdl h LEU 34 N 0.54 0.99 0.14 1.54 3.38 -1.33 -3.11 115.31 117.46 1sdl h LEU 34 Ca 0.19 -0.53 -0.29 0.00 0.09 0.00 0.00 57.88 57.34 1sdl h LEU 34 Cb 0.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.50 1sdl h LEU 34 CO -0.09 1.34 -1.30 0.28 0.09 0.00 0.00 178.44 178.75 1sdl h SER 35 N 0.68 0.47 -2.36 -0.43 0.02 -1.14 -3.39 113.55 107.39 1sdl h SER 35 Ca 0.01 -0.52 -0.60 0.00 -0.84 0.00 0.00 61.79 59.85 1sdl h SER 35 Cb 1.16 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.14 1sdl h SER 35 CO 0.12 1.41 -0.73 0.49 -1.14 0.00 0.00 176.83 176.98 1sdl n PHE 36 N -3.55 2.30 0.11 3.45 3.72 0.36 -4.98 117.46 118.88 1sdl n PHE 36 Ca -0.10 -3.99 0.19 0.00 -0.05 0.00 0.00 57.45 53.50 1sdl n PHE 36 Cb 1.04 -0.45 0.66 0.00 -0.94 0.00 0.00 39.48 39.78 1sdl n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sdl h PRO 37 N 4.54 0.00 0.00 -1.08 0.11 -1.72 0.26 132.00 134.11 1sdl h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1sdl h PRO 37 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1sdl h PRO 37 CO 0.69 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 180.20 1sdl h THR 38 N 0.00 0.50 0.00 -1.15 1.35 -1.91 -2.03 112.91 109.67 1sdl h THR 38 Ca 0.19 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.70 1sdl h THR 38 Cb 1.38 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1sdl h THR 38 CO -0.00 0.07 -0.17 0.71 -0.25 0.00 0.00 175.52 175.88 1sdl h THR 39 N 0.00 0.54 0.00 6.82 1.35 -1.27 -2.95 112.91 117.40 1sdl h THR 39 Ca -0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1sdl h THR 39 Cb 0.20 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1sdl h THR 39 CO 0.01 0.16 0.00 0.11 -0.25 0.00 0.00 175.52 175.55 1sdl h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.55 -2.98 116.57 118.34 1sdl h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sdl h LYS 40 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1sdl h LYS 40 CO 0.02 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.69 1sdl h THR 41 N 0.00 0.35 0.00 -0.16 1.35 -1.71 -1.73 112.91 111.01 1sdl h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sdl h THR 41 Cb 0.30 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1sdl h THR 41 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1sdl n TYR 42 N -3.59 0.00 -2.48 4.73 4.01 -1.13 -3.89 117.16 114.81 1sdl n TYR 42 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 1sdl n TYR 42 Cb 0.08 -0.38 0.01 0.00 -0.31 0.00 0.00 39.34 38.73 1sdl n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1sdl n PHE 43 N -1.38 2.96 -0.23 -0.72 3.01 -0.65 -4.88 117.46 115.56 1sdl n PHE 43 Ca 0.11 -2.99 0.02 0.00 1.01 0.00 0.00 57.45 55.60 1sdl n PHE 43 Cb 0.28 -0.15 0.10 0.00 -0.01 0.00 0.00 39.48 39.70 1sdl n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1sdl h PRO 44 N 2.62 0.04 -0.10 -1.08 0.13 -1.71 -1.56 132.00 130.33 1sdl h PRO 44 Ca 0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1sdl h PRO 44 Cb 1.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1sdl h PRO 44 CO 0.78 0.03 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1sdl n HIS 45 N -5.40 0.00 -4.39 1.56 1.44 -1.26 -4.85 115.22 102.32 1sdl n HIS 45 Ca 0.10 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.57 1sdl n HIS 45 Cb 0.39 -0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 1sdl n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1sdl s PHE 46 N -1.83 2.49 -0.51 -1.40 0.40 -0.59 -5.06 117.98 111.48 1sdl s PHE 46 Ca 0.00 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 1sdl s PHE 46 Cb 0.00 -1.32 0.08 0.00 0.51 0.00 0.00 43.02 42.29 1sdl s PHE 46 CO 0.00 0.57 0.55 0.34 0.70 0.00 0.00 175.22 177.38 1sdl s ASP 47 N -3.65 6.19 0.00 1.36 2.15 -1.26 -4.90 116.67 116.56 1sdl s ASP 47 Ca 0.33 -1.23 0.13 0.00 0.43 0.00 0.00 52.55 52.20 1sdl s ASP 47 Cb -0.02 -2.25 0.60 0.00 -0.30 0.00 0.00 42.92 40.95 1sdl s ASP 47 CO 0.18 -0.85 1.41 0.18 -0.17 0.00 0.00 175.17 175.92 1sdl n LEU 48 N 5.78 0.64 -4.74 -1.34 4.32 -1.26 -4.44 117.00 115.95 1sdl n LEU 48 Ca -0.10 -0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 55.27 1sdl n LEU 48 Cb 0.44 -0.06 0.08 0.00 -1.62 0.00 0.00 43.42 42.26 1sdl n LEU 48 CO 0.52 0.14 0.75 -0.94 -1.22 0.00 0.00 177.39 176.65 1sdl s SER 49 N -1.32 4.51 0.88 -1.43 1.04 -1.26 -4.93 113.70 111.18 1sdl s SER 49 Ca 0.20 2.11 -0.13 0.00 0.48 0.00 0.00 55.95 58.62 1sdl s SER 49 Cb 0.10 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.71 1sdl s SER 49 CO 0.16 -2.04 0.70 1.57 0.98 0.00 0.00 173.24 174.61 1sdl n HIS 50 N -2.85 -0.45 0.00 5.02 -0.00 -1.26 -1.22 115.22 114.46 1sdl n HIS 50 Ca 0.11 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.61 1sdl n HIS 50 Cb 0.52 -1.90 0.00 0.00 -0.12 0.00 0.00 29.99 28.48 1sdl n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sdl n GLY 51 N 1.13 0.25 1.29 1.57 0.00 -1.26 -4.88 105.19 103.29 1sdl n GLY 51 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1sdl n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sdl n SER 52 N 0.00 -0.14 0.09 1.61 2.88 -0.36 -4.80 113.62 112.90 1sdl n SER 52 Ca 0.00 0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 57.83 1sdl n SER 52 Cb 0.00 -0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1sdl n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sdl h ALA 53 N 0.90 0.22 -0.83 -1.46 0.00 -1.88 -2.09 119.26 114.11 1sdl h ALA 53 Ca -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 1sdl h ALA 53 Cb 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1sdl h ALA 53 CO 0.23 0.92 0.42 1.96 0.00 0.00 0.00 179.25 182.78 1sdl h GLN 54 N 0.12 1.18 -0.24 0.00 4.20 -1.90 0.62 115.11 119.10 1sdl h GLN 54 Ca -0.11 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.32 1sdl h GLN 54 Cb 1.80 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 1sdl h GLN 54 CO 0.18 0.89 -0.38 0.28 -0.67 0.00 0.00 178.83 179.14 1sdl h VAL 55 N 1.17 1.30 -0.41 -0.54 2.07 -1.77 1.00 116.25 119.07 1sdl h VAL 55 Ca 0.29 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1sdl h VAL 55 Cb 0.09 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1sdl h VAL 55 CO -0.04 0.48 0.11 0.50 0.02 0.00 0.00 177.57 178.64 1sdl h LYS 56 N 0.45 0.65 -0.48 1.57 3.64 -0.45 -0.00 116.57 121.93 1sdl h LYS 56 Ca 0.04 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1sdl h LYS 56 Cb 0.86 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1sdl h LYS 56 CO 0.07 0.66 -0.01 0.78 -2.27 0.00 0.00 179.45 178.68 1sdl h GLY 57 N 0.52 0.87 1.44 5.01 0.00 0.49 -2.66 103.07 108.74 1sdl h GLY 57 Ca 0.13 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1sdl h GLY 57 CO -0.00 0.55 -0.30 0.84 0.00 0.00 0.00 176.54 177.63 1sdl h HIS 58 N 0.75 0.73 -0.69 5.60 -0.00 -0.57 -2.89 115.15 118.08 1sdl h HIS 58 Ca 0.14 -0.18 0.05 0.00 -0.00 0.00 0.00 60.37 60.38 1sdl h HIS 58 Cb 0.47 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.66 1sdl h HIS 58 CO 0.03 0.86 0.41 0.78 -0.00 0.00 0.00 177.93 180.01 1sdl h GLY 59 N 1.01 1.02 0.99 5.26 0.00 -0.68 -0.11 103.07 110.55 1sdl h GLY 59 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1sdl h GLY 59 CO 0.06 0.22 0.29 1.70 0.00 0.00 0.00 176.54 178.81 1sdl h LYS 60 N 0.78 0.66 -0.52 4.80 3.11 -1.32 0.44 116.57 124.51 1sdl h LYS 60 Ca 0.30 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 58.06 1sdl h LYS 60 Cb 0.11 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1sdl h LYS 60 CO -0.15 0.49 0.25 0.87 -2.81 0.00 0.00 179.45 178.10 1sdl h LYS 61 N 0.64 0.74 -0.22 1.90 1.57 -1.17 0.14 116.57 120.18 1sdl h LYS 61 Ca 0.17 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1sdl h LYS 61 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1sdl h LYS 61 CO -0.03 0.61 0.11 0.28 -0.57 0.00 0.00 179.45 179.85 1sdl h VAL 62 N 0.69 1.14 -0.44 0.50 2.07 -0.68 -1.54 116.25 117.99 1sdl h VAL 62 Ca 0.18 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1sdl h VAL 62 Cb 0.11 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1sdl h VAL 62 CO -0.02 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.79 1sdl h ALA 63 N 0.97 1.35 -0.39 1.67 0.00 -0.75 -2.15 119.26 119.96 1sdl h ALA 63 Ca 0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1sdl h ALA 63 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sdl h ALA 63 CO -0.01 0.46 -0.24 -0.44 0.00 0.00 0.00 179.25 179.03 1sdl h ASP 64 N 0.64 0.79 -0.34 0.00 3.32 -0.34 -1.26 116.42 119.24 1sdl h ASP 64 Ca 0.14 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1sdl h ASP 64 Cb 0.26 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1sdl h ASP 64 CO -0.00 1.00 -0.02 0.00 -1.72 0.00 0.00 179.24 178.49 1sdl h ALA 65 N 1.06 1.15 -0.52 3.45 0.00 -0.71 -1.75 119.26 121.93 1sdl h ALA 65 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1sdl h ALA 65 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sdl h ALA 65 CO 0.06 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.63 1sdl h LEU 66 N 0.67 1.04 -0.60 0.00 3.38 -1.10 -0.71 115.31 118.00 1sdl h LEU 66 Ca 0.13 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1sdl h LEU 66 Cb 0.45 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1sdl h LEU 66 CO 0.02 1.18 0.30 0.74 0.09 0.00 0.00 178.44 180.77 1sdl h THR 67 N 0.90 1.21 -0.31 0.22 2.02 -1.01 -0.05 112.91 115.89 1sdl h THR 67 Ca 0.13 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 1sdl h THR 67 Cb 0.73 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1sdl h THR 67 CO 0.06 0.23 -0.15 -1.13 0.37 0.00 0.00 175.52 174.90 1sdl h ASN 68 N 0.82 0.52 -0.70 4.18 -1.24 -1.09 -1.33 115.58 116.75 1sdl h ASN 68 Ca 0.21 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 1sdl h ASN 68 Cb 0.09 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1sdl h ASN 68 CO -0.03 0.70 0.16 0.00 -1.29 0.00 0.00 177.43 176.97 1sdl h ALA 69 N 1.35 0.92 -0.43 1.57 0.00 -0.19 -1.53 119.26 120.96 1sdl h ALA 69 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1sdl h ALA 69 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sdl h ALA 69 CO 0.03 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.27 1sdl h VAL 70 N 1.06 1.25 0.00 0.00 2.07 -0.76 0.20 116.25 120.07 1sdl h VAL 70 Ca 0.22 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1sdl h VAL 70 Cb 0.38 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1sdl h VAL 70 CO 0.00 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1sdl h ALA 71 N 0.92 1.00 -0.09 1.67 0.00 -1.01 -2.98 119.26 118.77 1sdl h ALA 71 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1sdl h ALA 71 Cb 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.97 1sdl h ALA 71 CO 0.01 0.00 -0.81 0.72 0.00 0.00 0.00 179.25 179.17 1sdl n HIS 72 N -2.51 0.31 -0.32 0.00 8.25 -0.60 -4.89 115.22 115.47 1sdl n HIS 72 Ca 0.00 -1.18 0.22 0.00 -0.26 0.00 0.00 57.72 56.50 1sdl n HIS 72 Cb 0.16 -0.21 0.44 0.00 1.12 0.00 0.00 29.99 31.50 1sdl n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sdl h VAL 73 N 4.06 0.23 0.00 1.59 2.07 -0.48 0.49 116.25 124.21 1sdl h VAL 73 Ca -0.08 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1sdl h VAL 73 Cb 1.45 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1sdl h VAL 73 CO 0.12 0.04 0.00 0.44 0.02 0.00 0.00 177.57 178.19 1sdl h ASP 74 N 0.22 0.00 -1.12 0.57 3.32 -1.89 -3.29 116.42 114.23 1sdl h ASP 74 Ca 0.70 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 57.28 1sdl h ASP 74 Cb 1.60 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.74 1sdl h ASP 74 CO -0.67 0.00 -0.95 -0.67 -1.72 0.00 0.00 179.24 175.23 1sdl n ASP 75 N -2.63 3.28 0.18 6.45 2.03 0.17 -4.94 116.55 121.09 1sdl n ASP 75 Ca 0.04 -3.19 -0.15 0.00 0.52 0.00 0.00 54.79 52.01 1sdl n ASP 75 Cb 0.42 -0.47 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 1sdl n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1sdl h MET 76 N 2.67 -0.39 -0.84 -0.67 2.86 -1.45 -2.63 114.93 114.48 1sdl h MET 76 Ca 0.12 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.96 1sdl h MET 76 Cb 1.13 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 1sdl h MET 76 CO 0.64 -0.24 0.56 -1.35 1.06 0.00 0.00 176.91 177.58 1sdl h PRO 77 N -0.43 0.47 0.06 -0.22 0.11 -1.92 0.29 132.00 130.37 1sdl h PRO 77 Ca -0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1sdl h PRO 77 Cb 0.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1sdl h PRO 77 CO 0.07 0.31 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.17 1sdl h ASN 78 N 0.49 -0.07 -0.71 -2.05 -1.24 -1.94 -2.08 115.58 107.98 1sdl h ASN 78 Ca 0.43 -0.51 0.13 0.00 0.71 0.00 0.00 56.30 57.06 1sdl h ASN 78 Cb 0.93 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.95 1sdl h ASN 78 CO -0.17 0.51 0.47 0.00 -1.29 0.00 0.00 177.43 176.96 1sdl h ALA 79 N 0.16 2.08 -0.34 1.57 0.00 -1.06 -2.60 119.26 119.07 1sdl h ALA 79 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sdl h ALA 79 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sdl h ALA 79 CO 0.01 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1sdl n LEU 80 N -4.47 2.94 -0.20 0.00 4.77 0.04 -4.74 117.00 115.35 1sdl n LEU 80 Ca 0.13 -1.72 0.01 0.00 -0.03 0.00 0.00 56.01 54.40 1sdl n LEU 80 Cb 0.48 -0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1sdl n LEU 80 CO 0.33 0.69 0.86 -1.28 -1.33 0.00 0.00 177.39 176.66 1sdl h SER 81 N 2.73 -0.19 -0.43 -1.43 0.87 -0.96 -1.10 113.55 113.04 1sdl h SER 81 Ca 0.00 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1sdl h SER 81 Cb 0.75 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1sdl h SER 81 CO 0.00 -0.08 0.24 0.00 -0.53 0.00 0.00 176.83 176.46 1sdl h ALA 82 N 1.53 0.55 -0.22 6.23 0.00 -1.85 -1.47 119.26 124.03 1sdl h ALA 82 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1sdl h ALA 82 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sdl h ALA 82 CO -0.48 -0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 178.58 1sdl h LEU 83 N 0.48 0.31 -0.50 0.00 3.38 -1.70 -1.67 115.31 115.61 1sdl h LEU 83 Ca 0.18 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1sdl h LEU 83 Cb 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1sdl h LEU 83 CO -0.10 0.38 -0.07 -1.28 0.09 0.00 0.00 178.44 177.46 1sdl h SER 84 N 0.32 0.93 -0.30 -0.43 0.87 -0.57 -0.28 113.55 114.09 1sdl h SER 84 Ca 0.07 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1sdl h SER 84 Cb 0.25 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1sdl h SER 84 CO 0.01 1.05 0.10 0.44 -0.53 0.00 0.00 176.83 177.89 1sdl h ASP 85 N 0.79 0.44 0.38 6.23 3.32 -0.68 -0.95 116.42 125.94 1sdl h ASP 85 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1sdl h ASP 85 Cb 0.62 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1sdl h ASP 85 CO 0.04 0.52 -0.31 0.25 -1.72 0.00 0.00 179.24 178.02 1sdl h LEU 86 N 0.33 -0.82 -0.52 1.55 5.85 -1.19 0.25 115.31 120.77 1sdl h LEU 86 Ca 0.10 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1sdl h LEU 86 Cb 0.24 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1sdl h LEU 86 CO -0.00 -0.46 0.14 0.45 -0.34 0.00 0.00 178.44 178.23 1sdl h HIS 87 N -0.70 0.86 0.00 1.25 3.86 -1.02 0.98 115.15 120.39 1sdl h HIS 87 Ca -0.03 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 1sdl h HIS 87 Cb 0.61 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1sdl h HIS 87 CO -0.15 0.75 -0.70 0.00 0.86 0.00 0.00 177.93 178.68 1sdl h ALA 88 N 1.01 0.13 0.07 2.45 0.00 -1.18 -1.40 119.26 120.33 1sdl h ALA 88 Ca 0.17 -0.79 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1sdl h ALA 88 Cb 0.31 0.46 0.02 0.00 0.00 0.00 0.00 17.79 18.58 1sdl h ALA 88 CO -0.00 0.44 -0.80 0.45 0.00 0.00 0.00 179.25 179.34 1sdl h HIS 89 N -1.00 0.68 0.00 0.00 3.86 -1.10 -2.89 115.15 114.69 1sdl h HIS 89 Ca -0.17 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 58.61 1sdl h HIS 89 Cb 0.95 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 1sdl h HIS 89 CO 0.07 1.27 -0.15 0.87 0.86 0.00 0.00 177.93 180.84 1sdl h LYS 90 N -0.10 0.00 0.00 2.45 6.56 -1.24 -3.40 116.57 120.84 1sdl h LYS 90 Ca -0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 1sdl h LYS 90 Cb 1.54 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1sdl h LYS 90 CO 0.15 0.51 -1.05 1.28 -2.06 0.00 0.00 179.45 178.28 1sdl n LEU 91 N -4.66 0.83 -3.76 2.94 4.77 0.31 -4.98 117.00 112.44 1sdl n LEU 91 Ca -0.08 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 1sdl n LEU 91 Cb 0.28 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1sdl n LEU 91 CO 0.17 -0.17 0.04 0.54 -1.33 0.00 0.00 177.39 176.64 1sdl n ARG 92 N -2.68 -5.50 -2.06 3.23 1.74 -0.76 -4.89 116.66 105.75 1sdl n ARG 92 Ca -0.01 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1sdl n ARG 92 Cb 0.57 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.58 1sdl n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sdl s VAL 93 N -3.48 3.02 0.13 1.55 1.01 -0.60 -4.92 120.40 117.09 1sdl s VAL 93 Ca 0.30 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1sdl s VAL 93 Cb -0.15 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1sdl s VAL 93 CO 0.81 0.05 1.73 -0.62 0.00 0.00 0.00 175.10 177.07 1sdl s ASP 94 N 1.24 6.49 0.48 3.32 -1.08 -1.26 -4.86 116.67 120.99 1sdl s ASP 94 Ca 0.67 2.68 0.29 0.00 -0.52 0.00 0.00 52.55 55.67 1sdl s ASP 94 Cb -0.40 -2.57 1.37 0.00 -1.46 0.00 0.00 42.92 39.85 1sdl s ASP 94 CO 0.31 -0.94 1.79 -0.65 0.52 0.00 0.00 175.17 176.19 1sdl h PRO 95 N 8.03 0.15 -0.85 4.34 0.11 -1.99 -0.55 132.00 141.24 1sdl h PRO 95 Ca -0.44 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1sdl h PRO 95 Cb 1.21 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1sdl h PRO 95 CO 0.94 0.10 0.56 -0.24 -0.21 0.00 0.00 178.00 179.15 1sdl h VAL 96 N 0.16 1.04 -0.10 3.15 3.04 -2.02 -2.13 116.25 119.39 1sdl h VAL 96 Ca 0.58 -0.32 0.03 0.00 -1.01 0.00 0.00 66.70 65.98 1sdl h VAL 96 Cb 1.94 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1sdl h VAL 96 CO -0.14 0.17 0.10 0.78 -1.01 0.00 0.00 177.57 177.48 1sdl h ASN 97 N 0.93 0.00 0.00 3.17 -0.26 -1.46 -0.16 115.58 117.80 1sdl h ASN 97 Ca 0.37 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.99 1sdl h ASN 97 Cb 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1sdl h ASN 97 CO -0.14 0.00 -0.36 -0.26 -1.06 0.00 0.00 177.43 175.61 1sdl h PHE 98 N 0.00 0.57 -0.40 1.19 0.04 -1.52 -1.01 116.94 115.81 1sdl h PHE 98 Ca 0.05 -0.15 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 1sdl h PHE 98 Cb 0.25 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1sdl h PHE 98 CO 0.00 0.78 -0.28 0.87 -0.60 0.00 0.00 178.31 179.08 1sdl h LYS 99 N 0.41 0.86 -0.59 1.51 1.57 -1.13 -0.53 116.57 118.66 1sdl h LYS 99 Ca 0.04 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1sdl h LYS 99 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1sdl h LYS 99 CO 0.07 1.03 0.09 -0.07 -0.57 0.00 0.00 179.45 179.99 1sdl h LEU 100 N 0.73 0.94 -0.43 2.94 3.38 -1.09 -1.01 115.31 120.77 1sdl h LEU 100 Ca 0.08 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1sdl h LEU 100 Cb 0.83 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1sdl h LEU 100 CO 0.07 0.97 -0.01 0.25 0.09 0.00 0.00 178.44 179.81 1sdl h LEU 101 N 0.88 0.75 -0.47 1.67 5.85 -1.05 -1.09 115.31 121.85 1sdl h LEU 101 Ca 0.18 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1sdl h LEU 101 Cb 0.43 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1sdl h LEU 101 CO 0.01 0.88 0.24 0.28 -0.34 0.00 0.00 178.44 179.51 1sdl h SER 102 N 0.60 0.35 -0.24 1.25 0.02 -0.95 0.64 113.55 115.23 1sdl h SER 102 Ca 0.12 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1sdl h SER 102 Cb 0.50 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1sdl h SER 102 CO 0.02 0.25 0.09 -0.74 -1.14 0.00 0.00 176.83 175.32 1sdl h HIS 103 N 0.48 0.17 0.00 3.45 -0.00 -0.94 -1.80 115.15 116.51 1sdl h HIS 103 Ca 0.20 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 1sdl h HIS 103 Cb 0.10 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1sdl h HIS 103 CO -0.10 0.09 -0.20 0.00 -0.00 0.00 0.00 177.93 177.73 1sdl h LEU 105 N 0.00 0.67 -0.54 0.00 7.12 -0.27 -1.80 115.31 120.49 1sdl h LEU 105 Ca -0.00 -0.35 -0.00 0.00 0.13 0.00 0.00 57.88 57.65 1sdl h LEU 105 Cb 0.36 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.28 1sdl h LEU 105 CO 0.03 0.87 0.33 -0.07 -0.13 0.00 0.00 178.44 179.47 1sdl h LEU 106 N 0.46 0.65 -0.89 2.25 3.38 -0.64 -0.46 115.31 120.06 1sdl h LEU 106 Ca 0.09 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1sdl h LEU 106 Cb 0.57 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1sdl h LEU 106 CO 0.03 0.51 0.57 0.58 0.09 0.00 0.00 178.44 180.23 1sdl h VAL 107 N 0.73 1.14 -0.38 1.22 2.07 -1.21 0.11 116.25 119.94 1sdl h VAL 107 Ca 0.20 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1sdl h VAL 107 Cb -0.02 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1sdl h VAL 107 CO -0.04 0.20 0.12 0.74 0.02 0.00 0.00 177.57 178.62 1sdl h THR 108 N 1.11 1.21 -0.09 2.57 2.02 -0.67 -2.08 112.91 116.98 1sdl h THR 108 Ca 0.35 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1sdl h THR 108 Cb 0.01 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1sdl h THR 108 CO -0.12 0.24 0.04 -0.07 0.37 0.00 0.00 175.52 175.98 1sdl h LEU 109 N 0.46 0.11 -1.01 2.58 3.38 -0.64 -1.69 115.31 118.50 1sdl h LEU 109 Ca 0.12 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1sdl h LEU 109 Cb 0.25 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1sdl h LEU 109 CO -0.00 0.18 0.65 0.00 0.09 0.00 0.00 178.44 179.35 1sdl h ALA 110 N 0.94 1.43 0.00 1.53 0.00 -0.72 0.41 119.26 122.85 1sdl h ALA 110 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1sdl h ALA 110 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1sdl h ALA 110 CO -0.00 0.40 -0.57 0.00 0.00 0.00 0.00 179.25 179.07 1sdl h ALA 111 N 1.47 1.03 0.00 0.00 0.00 -1.08 -3.28 119.26 117.40 1sdl h ALA 111 Ca 0.45 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1sdl h ALA 111 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sdl h ALA 111 CO -0.19 0.72 -2.18 0.72 0.00 0.00 0.00 179.25 178.32 1sdl n HIS 112 N -3.82 0.10 -3.02 0.00 8.25 -0.66 -4.68 115.22 111.39 1sdl n HIS 112 Ca -0.01 0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 1sdl n HIS 112 Cb 0.58 -0.86 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 1sdl n HIS 112 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1sdl n LEU 113 N -2.62 3.28 -0.19 2.41 -0.00 0.14 -4.93 117.00 115.09 1sdl n LEU 113 Ca -0.22 -5.45 -0.11 0.00 -0.00 0.00 0.00 56.01 50.23 1sdl n LEU 113 Cb 0.95 -0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 44.17 1sdl n LEU 113 CO 0.44 2.33 0.53 1.55 -0.00 0.00 0.00 177.39 182.24 1sdl h PRO 114 N 2.98 -0.28 -0.43 1.47 0.13 -1.76 0.21 132.00 134.32 1sdl h PRO 114 Ca 0.12 0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.36 1sdl h PRO 114 Cb 0.66 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1sdl h PRO 114 CO 0.71 -0.19 0.30 0.00 -0.23 0.00 0.00 178.00 178.60 1sdl h ALA 115 N 0.31 2.15 0.00 -0.56 0.00 -1.92 -2.82 119.26 116.42 1sdl h ALA 115 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 1sdl h ALA 115 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1sdl h ALA 115 CO -0.66 -0.25 -1.46 0.93 0.00 0.00 0.00 179.25 177.81 1sdl h GLU 116 N 0.20 0.00 -3.90 0.00 3.07 -1.28 -3.41 114.58 109.27 1sdl h GLU 116 Ca 0.20 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.44 1sdl h GLU 116 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1sdl h GLU 116 CO -0.03 0.54 2.85 0.34 -1.40 0.00 0.00 179.01 181.31 1sdl n PHE 117 N -3.08 2.35 -2.05 4.33 7.35 0.50 -4.76 117.46 122.10 1sdl n PHE 117 Ca -0.11 -2.39 -0.27 0.00 -0.76 0.00 0.00 57.45 53.91 1sdl n PHE 117 Cb 0.97 -2.08 0.09 0.00 0.35 0.00 0.00 39.48 38.82 1sdl n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdl s THR 118 N 3.71 2.13 0.31 -2.13 -4.23 -1.26 -4.77 115.64 109.38 1sdl s THR 118 Ca 0.52 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1sdl s THR 118 Cb 0.14 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.27 1sdl s THR 118 CO -0.00 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.37 1sdl h PRO 119 N -0.88 1.00 -0.54 3.99 0.11 -1.99 0.12 132.00 133.81 1sdl h PRO 119 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1sdl h PRO 119 Cb 1.32 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1sdl h PRO 119 CO 0.61 0.66 -0.07 0.00 -0.21 0.00 0.00 178.00 178.99 1sdl h ALA 120 N 1.51 0.85 -0.36 -0.75 0.00 -1.96 -1.67 119.26 116.89 1sdl h ALA 120 Ca 0.35 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1sdl h ALA 120 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sdl h ALA 120 CO -0.11 0.65 -0.39 0.28 0.00 0.00 0.00 179.25 179.68 1sdl h VAL 121 N 0.89 1.28 -0.47 0.00 2.07 -1.61 -2.42 116.25 115.99 1sdl h VAL 121 Ca 0.15 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1sdl h VAL 121 Cb 0.61 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1sdl h VAL 121 CO 0.04 0.52 0.24 -0.74 0.02 0.00 0.00 177.57 177.65 1sdl h HIS 122 N 0.71 0.44 -0.65 1.57 6.17 -0.59 0.80 115.15 123.59 1sdl h HIS 122 Ca 0.06 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 1sdl h HIS 122 Cb 0.97 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.75 1sdl h HIS 122 CO 0.06 0.22 0.22 0.00 0.71 0.00 0.00 177.93 179.14 1sdl h ALA 123 N 1.25 0.85 -0.34 5.26 0.00 -1.17 -0.14 119.26 124.97 1sdl h ALA 123 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sdl h ALA 123 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sdl h ALA 123 CO -0.14 0.50 0.04 0.77 0.00 0.00 0.00 179.25 180.42 1sdl h SER 124 N 0.93 0.55 -0.60 0.00 0.02 -0.93 -2.49 113.55 111.02 1sdl h SER 124 Ca 0.21 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1sdl h SER 124 Cb 0.26 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1sdl h SER 124 CO -0.01 0.68 0.32 -0.07 -1.14 0.00 0.00 176.83 176.61 1sdl h LEU 125 N 0.40 0.46 -0.83 5.07 3.38 -0.65 -0.51 115.31 122.63 1sdl h LEU 125 Ca 0.10 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1sdl h LEU 125 Cb 0.38 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1sdl h LEU 125 CO 0.01 0.31 0.55 -0.78 0.09 0.00 0.00 178.44 178.61 1sdl h ASP 126 N 0.60 0.95 0.12 -0.43 3.58 -0.81 -0.72 116.42 119.70 1sdl h ASP 126 Ca 0.27 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.54 1sdl h ASP 126 Cb 0.18 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1sdl h ASP 126 CO -0.18 0.69 -0.55 0.11 -2.88 0.00 0.00 179.24 176.43 1sdl h LYS 127 N 1.12 0.46 0.16 0.28 1.57 -0.98 -1.46 116.57 117.72 1sdl h LYS 127 Ca 0.30 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1sdl h LYS 127 Cb -0.13 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1sdl h LYS 127 CO -0.07 0.89 -0.08 0.35 -0.57 0.00 0.00 179.45 179.98 1sdl h PHE 128 N 0.36 -0.20 -0.88 -1.35 3.57 -0.61 -0.49 116.94 117.33 1sdl h PHE 128 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1sdl h PHE 128 Cb 1.07 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1sdl h PHE 128 CO 0.04 -0.04 0.51 -0.07 -2.23 0.00 0.00 178.31 176.52 1sdl h LEU 129 N -0.31 1.08 -1.10 0.59 3.38 -1.13 0.05 115.31 117.87 1sdl h LEU 129 Ca -0.02 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1sdl h LEU 129 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1sdl h LEU 129 CO 0.04 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 179.38 1sdl h ALA 130 N 1.34 1.26 -0.13 1.53 0.00 -1.08 0.94 119.26 123.11 1sdl h ALA 130 Ca 0.31 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1sdl h ALA 130 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sdl h ALA 130 CO -0.06 0.49 -0.75 0.66 0.00 0.00 0.00 179.25 179.60 1sdl h SER 131 N 0.56 0.75 -0.19 0.00 4.64 -0.22 -0.41 113.55 118.69 1sdl h SER 131 Ca 0.11 -0.49 0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1sdl h SER 131 Cb 0.41 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1sdl h SER 131 CO 0.02 1.26 0.11 0.58 -0.87 0.00 0.00 176.83 177.94 1sdl h VAL 132 N 0.44 1.02 -0.78 0.95 2.07 -0.73 -1.89 116.25 117.33 1sdl h VAL 132 Ca -0.04 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1sdl h VAL 132 Cb 1.35 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1sdl h VAL 132 CO 0.14 0.04 0.47 0.28 0.02 0.00 0.00 177.57 178.53 1sdl h SER 133 N 0.24 0.74 -0.77 0.57 0.02 -0.68 -1.08 113.55 112.59 1sdl h SER 133 Ca 0.08 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1sdl h SER 133 Cb -0.01 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1sdl h SER 133 CO -0.03 0.48 0.26 0.74 -1.14 0.00 0.00 176.83 177.14 1sdl h THR 134 N 0.88 1.26 -0.40 -2.27 2.02 -0.78 -2.08 112.91 111.54 1sdl h THR 134 Ca 0.33 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1sdl h THR 134 Cb 0.14 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1sdl h THR 134 CO -0.16 0.35 0.19 0.58 0.37 0.00 0.00 175.52 176.86 1sdl h VAL 135 N 1.13 1.17 0.00 3.16 2.07 -0.50 -1.47 116.25 121.82 1sdl h VAL 135 Ca 0.25 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sdl h VAL 135 Cb 0.28 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1sdl h VAL 135 CO -0.01 0.18 -0.00 -0.07 0.02 0.00 0.00 177.57 177.69 1sdl h LEU 136 N 0.50 0.00 -2.99 2.57 3.38 -0.89 -2.16 115.31 115.72 1sdl h LEU 136 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sdl h LEU 136 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sdl h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1sdl n THR 137 N -3.09 1.21 -0.25 0.22 -2.24 -0.81 -4.32 114.28 105.00 1sdl n THR 137 Ca -0.02 -1.24 0.18 0.00 -2.27 0.00 0.00 64.05 60.71 1sdl n THR 137 Cb 0.16 0.34 0.49 0.00 -2.10 0.00 0.00 70.33 69.23 1sdl n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sdl h SER 138 N 0.55 0.44 0.00 3.42 4.64 -0.58 -1.97 113.55 120.05 1sdl h SER 138 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1sdl h SER 138 Cb 0.68 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1sdl h SER 138 CO 0.01 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 1sdl n LYS 139 N -4.53 0.16 0.00 4.77 4.01 -1.26 -1.60 118.16 119.72 1sdl n LYS 139 Ca 0.19 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 58.01 1sdl n LYS 139 Cb 0.68 -1.44 0.01 0.00 -0.51 0.00 0.00 35.03 33.77 1sdl n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1sdl n TYR 140 N -0.94 0.00 0.33 2.13 4.01 -0.74 -4.97 117.16 116.99 1sdl n TYR 140 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1sdl n TYR 140 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1sdl n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94