#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rps s LEU 2 N 0.00 4.39 0.37 7.52 1.43 -1.26 -5.06 118.68 126.06 1rps s LEU 2 Ca 0.00 1.63 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1rps s LEU 2 Cb 0.00 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1rps s LEU 2 CO 0.00 0.03 0.35 -0.94 0.23 0.00 0.00 176.35 176.02 1rps s SER 3 N -1.54 5.29 0.26 2.29 1.04 -1.26 -4.95 113.70 114.83 1rps s SER 3 Ca 0.45 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1rps s SER 3 Cb -0.19 -0.85 0.47 0.00 0.10 0.00 0.00 66.02 65.55 1rps s SER 3 CO 0.23 -0.48 1.79 -0.65 0.98 0.00 0.00 173.24 175.11 1rps h PRO 4 N 1.11 0.70 -0.50 4.02 0.11 -1.99 -0.54 132.00 134.90 1rps h PRO 4 Ca -0.43 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1rps h PRO 4 Cb 1.26 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1rps h PRO 4 CO 0.57 0.46 -0.10 0.00 -0.21 0.00 0.00 178.00 178.72 1rps h ALA 5 N 1.51 0.87 -0.19 -0.75 0.00 -1.99 -1.96 119.26 116.74 1rps h ALA 5 Ca 0.43 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rps h ALA 5 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rps h ALA 5 CO -0.30 0.64 0.10 -0.44 0.00 0.00 0.00 179.25 179.25 1rps h ASP 6 N 0.83 0.15 -0.88 0.00 3.32 -1.53 -0.45 116.42 117.86 1rps h ASP 6 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1rps h ASP 6 Cb 0.63 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1rps h ASP 6 CO 0.04 0.12 0.57 0.11 -1.72 0.00 0.00 179.24 178.36 1rps h LYS 7 N 0.21 1.18 -0.31 3.56 1.57 -0.88 0.80 116.57 122.71 1rps h LYS 7 Ca 0.08 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1rps h LYS 7 Cb 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1rps h LYS 7 CO -0.05 0.80 0.18 1.15 -0.57 0.00 0.00 179.45 180.95 1rps h THR 8 N 1.20 1.12 -0.55 -0.16 2.02 -1.06 -1.24 112.91 114.24 1rps h THR 8 Ca 0.32 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1rps h THR 8 Cb -0.11 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1rps h THR 8 CO -0.07 0.12 0.27 0.78 0.37 0.00 0.00 175.52 176.99 1rps h ASN 9 N 0.38 0.71 -0.12 4.18 -0.26 -0.04 -1.94 115.58 118.49 1rps h ASN 9 Ca 0.11 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1rps h ASN 9 Cb 0.04 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1rps h ASN 9 CO -0.02 0.64 0.01 0.58 -1.06 0.00 0.00 177.43 177.58 1rps h VAL 10 N 0.74 1.23 -0.74 2.81 2.07 -0.71 -1.56 116.25 120.09 1rps h VAL 10 Ca 0.19 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1rps h VAL 10 Cb 0.11 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1rps h VAL 10 CO -0.02 0.22 0.40 0.11 0.02 0.00 0.00 177.57 178.29 1rps h LYS 11 N -0.04 0.66 -0.47 1.57 1.57 -1.15 -0.19 116.57 118.52 1rps h LYS 11 Ca 0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1rps h LYS 11 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1rps h LYS 11 CO 0.00 0.44 0.13 0.00 -0.57 0.00 0.00 179.45 179.45 1rps h ALA 12 N 1.42 0.62 -0.24 3.86 0.00 -1.23 0.88 119.26 124.56 1rps h ALA 12 Ca 0.35 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1rps h ALA 12 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rps h ALA 12 CO -0.24 0.30 -0.36 0.00 0.00 0.00 0.00 179.25 178.95 1rps h ALA 13 N 0.99 0.37 0.00 0.00 0.00 -0.86 -2.37 119.26 117.38 1rps h ALA 13 Ca 0.15 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1rps h ALA 13 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rps h ALA 13 CO -0.00 0.45 -0.46 2.35 0.00 0.00 0.00 179.25 181.59 1rps h TRP 14 N 0.39 0.00 -0.77 0.00 2.91 -0.99 -2.52 115.95 114.98 1rps h TRP 14 Ca 0.02 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.99 1rps h TRP 14 Cb 0.95 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.57 1rps h TRP 14 CO 0.08 0.46 0.28 0.78 -1.03 0.00 0.00 178.44 179.01 1rps h GLY 15 N 1.82 1.25 2.00 2.65 0.00 -0.66 -2.40 103.07 107.74 1rps h GLY 15 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 1rps h GLY 15 CO 0.06 0.66 -0.53 0.50 0.00 0.00 0.00 176.54 177.23 1rps h LYS 16 N 1.13 0.00 -0.36 4.80 1.79 -1.12 -3.01 116.57 119.80 1rps h LYS 16 Ca 0.25 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1rps h LYS 16 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1rps h LYS 16 CO -0.02 0.53 0.14 0.28 -1.08 0.00 0.00 179.45 179.30 1rps h VAL 17 N 0.00 1.19 0.00 0.50 2.07 -1.20 -3.46 116.25 115.35 1rps h VAL 17 Ca -0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1rps h VAL 17 Cb 1.04 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1rps h VAL 17 CO 0.07 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1rps n GLY 18 N -0.73 3.40 0.86 2.17 0.00 -0.93 -0.41 105.19 109.55 1rps n GLY 18 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rps n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rps n ALA 19 N 10.90 2.35 0.23 4.61 0.00 -1.26 -2.96 120.51 134.37 1rps n ALA 19 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1rps n ALA 19 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1rps n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rps n HIS 20 N 0.43 0.00 -0.24 0.00 8.25 0.45 -4.80 115.22 119.30 1rps n HIS 20 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1rps n HIS 20 Cb 0.37 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1rps n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rps h ALA 21 N 0.93 -0.44 -0.48 -1.41 0.00 -1.67 0.71 119.26 116.91 1rps h ALA 21 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1rps h ALA 21 Cb 0.19 1.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1rps h ALA 21 CO 0.00 -0.89 0.03 0.78 0.00 0.00 0.00 179.25 179.17 1rps h GLY 22 N -0.21 0.52 1.71 0.00 0.00 -1.87 0.23 103.07 103.44 1rps h GLY 22 Ca 0.16 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1rps h GLY 22 CO -0.74 -0.11 -0.29 -2.09 0.00 0.00 0.00 176.54 173.31 1rps h GLU 23 N 0.15 0.34 -0.00 4.80 4.81 -1.73 -1.48 114.58 121.47 1rps h GLU 23 Ca 0.24 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1rps h GLU 23 Cb 0.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1rps h GLU 23 CO -0.37 0.60 -0.65 1.88 -0.73 0.00 0.00 179.01 179.74 1rps h TYR 24 N 0.30 0.01 -0.45 0.92 0.05 0.38 -2.39 116.97 115.80 1rps h TYR 24 Ca 0.04 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 1rps h TYR 24 Cb 0.67 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 1rps h TYR 24 CO 0.02 0.66 -0.17 0.78 -1.05 0.00 0.00 178.16 178.40 1rps h GLY 25 N 1.95 0.94 1.62 3.88 0.00 -0.11 -1.42 103.07 109.93 1rps h GLY 25 Ca -0.01 -0.78 -0.18 0.00 0.00 0.00 0.00 47.33 46.37 1rps h GLY 25 CO 0.09 0.71 -0.70 0.00 0.00 0.00 0.00 176.54 176.63 1rps h ALA 26 N 1.03 0.64 -0.40 3.60 0.00 -1.23 -1.85 119.26 121.06 1rps h ALA 26 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1rps h ALA 26 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1rps h ALA 26 CO 0.05 0.76 0.12 1.49 0.00 0.00 0.00 179.25 181.67 1rps h GLU 27 N 0.26 0.63 -0.65 0.00 4.81 -1.35 -1.16 114.58 117.11 1rps h GLU 27 Ca -0.02 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1rps h GLU 27 Cb 1.27 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1rps h GLU 27 CO 0.12 0.63 0.30 0.00 -0.73 0.00 0.00 179.01 179.33 1rps h ALA 28 N 0.97 0.88 -0.43 2.92 0.00 -1.11 0.21 119.26 122.69 1rps h ALA 28 Ca 0.13 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1rps h ALA 28 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rps h ALA 28 CO -0.00 -0.10 -0.10 -0.07 0.00 0.00 0.00 179.25 178.98 1rps h LEU 29 N 0.53 0.84 -0.73 0.00 3.38 -1.08 -0.83 115.31 117.42 1rps h LEU 29 Ca 0.32 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rps h LEU 29 Cb 0.34 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1rps h LEU 29 CO -0.27 1.00 0.47 -0.08 0.09 0.00 0.00 178.44 179.66 1rps h GLU 30 N 0.66 0.98 -0.39 1.13 4.81 -0.42 -1.03 114.58 120.31 1rps h GLU 30 Ca 0.11 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1rps h GLU 30 Cb 0.64 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1rps h GLU 30 CO 0.04 0.66 0.24 0.00 -0.73 0.00 0.00 179.01 179.22 1rps h ARG 31 N 1.00 0.53 -0.03 1.92 3.08 -0.36 -2.20 114.38 118.32 1rps h ARG 31 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1rps h ARG 31 Cb -0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1rps h ARG 31 CO -0.06 0.39 0.02 1.98 -1.07 0.00 0.00 179.97 181.24 1rps h MET 32 N 0.51 0.05 -0.74 0.04 4.05 -0.84 -0.52 114.93 117.48 1rps h MET 32 Ca 0.14 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.62 1rps h MET 32 Cb -0.00 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.73 1rps h MET 32 CO -0.03 0.05 0.43 0.74 0.23 0.00 0.00 176.91 178.33 1rps h PHE 33 N 0.03 0.78 -0.06 1.39 0.04 -1.03 -0.23 116.94 117.86 1rps h PHE 33 Ca 0.01 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1rps h PHE 33 Cb 0.01 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 37.93 1rps h PHE 33 CO -0.07 0.37 -0.45 -0.07 -0.60 0.00 0.00 178.31 177.49 1rps h LEU 34 N 0.77 0.50 -0.38 1.54 3.38 -1.18 -3.21 115.31 116.73 1rps h LEU 34 Ca 0.33 -0.68 -0.18 0.00 0.09 0.00 0.00 57.88 57.44 1rps h LEU 34 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rps h LEU 34 CO -0.19 1.10 -0.81 0.28 0.09 0.00 0.00 178.44 178.91 1rps h SER 35 N -0.06 0.25 -2.85 -0.43 0.02 -1.01 -3.38 113.55 106.09 1rps h SER 35 Ca -0.04 -0.19 -0.61 0.00 -0.84 0.00 0.00 61.79 60.12 1rps h SER 35 Cb 1.11 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.18 1rps h SER 35 CO 0.09 0.95 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.63 1rps s PHE 36 N -3.34 2.43 -0.04 3.45 0.08 -0.11 -4.98 117.98 115.47 1rps s PHE 36 Ca -0.03 -2.85 0.30 0.00 0.12 0.00 0.00 56.93 54.46 1rps s PHE 36 Cb 0.11 -1.92 1.42 0.00 -0.57 0.00 0.00 43.02 42.06 1rps s PHE 36 CO 0.82 -0.68 1.89 -1.00 -0.10 0.00 0.00 175.22 176.15 1rps h PRO 37 N 5.62 0.00 0.00 0.24 0.14 -1.74 -0.65 132.00 135.61 1rps h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.32 1rps h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.97 1rps h PRO 37 CO 0.56 0.00 -0.01 1.79 0.14 0.00 0.00 178.00 180.48 1rps h THR 38 N 0.00 0.10 0.00 1.56 1.35 -1.92 -1.84 112.91 112.17 1rps h THR 38 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1rps h THR 38 Cb 0.22 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1rps h THR 38 CO 0.00 0.01 -0.07 0.71 -0.25 0.00 0.00 175.52 175.92 1rps h THR 39 N 0.00 0.16 0.00 6.82 1.35 -1.44 -2.64 112.91 117.16 1rps h THR 39 Ca -0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1rps h THR 39 Cb 0.07 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1rps h THR 39 CO 0.00 0.07 -0.02 0.11 -0.25 0.00 0.00 175.52 175.42 1rps h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.52 -2.70 116.57 118.64 1rps h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rps h LYS 40 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1rps h LYS 40 CO 0.01 0.02 0.08 1.79 -0.57 0.00 0.00 179.45 180.78 1rps h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.65 -0.38 112.91 112.06 1rps h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1rps h THR 41 Cb 0.13 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1rps h THR 41 CO 0.00 0.00 -0.07 -1.22 -0.25 0.00 0.00 175.52 173.99 1rps n TYR 42 N -2.90 0.00 -2.62 4.73 4.01 -1.02 -4.31 117.16 115.05 1rps n TYR 42 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1rps n TYR 42 Cb 0.14 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1rps n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1rps n PHE 43 N -0.09 1.70 0.25 -0.72 3.01 -0.15 -4.91 117.46 116.55 1rps n PHE 43 Ca 0.17 -2.73 0.11 0.00 1.01 0.00 0.00 57.45 56.01 1rps n PHE 43 Cb 0.35 -0.30 0.66 0.00 -0.01 0.00 0.00 39.48 40.18 1rps n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1rps h PRO 44 N 2.82 0.00 -0.01 -1.08 0.13 -1.75 -2.51 132.00 129.60 1rps h PRO 44 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rps h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rps h PRO 44 CO 0.54 0.15 -0.37 -2.39 -0.23 0.00 0.00 178.00 175.69 1rps n HIS 45 N -3.77 0.00 -3.25 1.56 1.44 -1.26 -4.91 115.22 105.03 1rps n HIS 45 Ca -0.02 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.38 1rps n HIS 45 Cb 0.25 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.23 1rps n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1rps s PHE 46 N -2.55 3.43 -0.19 -1.40 0.40 -0.95 -5.06 117.98 111.68 1rps s PHE 46 Ca 0.21 0.92 -0.19 0.00 -0.60 0.00 0.00 56.93 57.27 1rps s PHE 46 Cb 0.19 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1rps s PHE 46 CO 0.56 0.15 0.54 0.34 0.70 0.00 0.00 175.22 177.52 1rps s ASP 47 N -2.65 6.62 -0.11 1.36 2.15 -1.26 -4.93 116.67 117.85 1rps s ASP 47 Ca 0.49 0.74 0.14 0.00 0.43 0.00 0.00 52.55 54.35 1rps s ASP 47 Cb -0.11 -2.31 0.43 0.00 -0.30 0.00 0.00 42.92 40.64 1rps s ASP 47 CO 0.24 -0.18 1.35 0.18 -0.17 0.00 0.00 175.17 176.59 1rps n LEU 48 N 4.70 3.47 -4.75 -1.34 4.77 -1.26 -4.48 117.00 118.11 1rps n LEU 48 Ca -0.04 -2.63 -0.37 0.00 -0.03 0.00 0.00 56.01 52.94 1rps n LEU 48 Cb 0.50 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1rps n LEU 48 CO 0.43 0.69 0.90 -0.94 -1.33 0.00 0.00 177.39 177.14 1rps s SER 49 N -1.59 5.19 0.21 -1.43 1.04 -1.26 -4.87 113.70 110.98 1rps s SER 49 Ca 0.34 2.57 -0.31 0.00 0.48 0.00 0.00 55.95 59.02 1rps s SER 49 Cb 0.25 -2.62 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1rps s SER 49 CO 0.11 -1.61 1.17 1.57 0.98 0.00 0.00 173.24 175.47 1rps n HIS 50 N -1.35 1.45 -0.97 5.02 -0.00 -1.26 -0.95 115.22 117.15 1rps n HIS 50 Ca 0.12 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.94 1rps n HIS 50 Cb 0.47 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 1rps n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rps n GLY 51 N 1.87 0.84 3.57 1.57 0.00 -1.26 -4.96 105.19 106.83 1rps n GLY 51 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.66 1rps n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rps n SER 52 N -0.01 1.26 0.21 1.61 2.88 -0.13 -4.85 113.62 114.59 1rps n SER 52 Ca 0.00 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 1rps n SER 52 Cb 0.01 -1.20 0.44 0.00 -0.75 0.00 0.00 64.21 62.70 1rps n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rps h ALA 53 N 3.34 1.06 -0.23 -1.46 0.00 -1.89 -2.51 119.26 117.57 1rps h ALA 53 Ca -0.43 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 1rps h ALA 53 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rps h ALA 53 CO 0.70 0.35 -0.58 0.37 0.00 0.00 0.00 179.25 180.08 1rps h GLN 54 N 0.00 0.81 -0.52 0.00 4.15 -1.89 -2.32 115.11 115.34 1rps h GLN 54 Ca -0.00 -0.56 -0.05 0.00 0.77 0.00 0.00 58.65 58.81 1rps h GLN 54 Cb 0.75 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 1rps h GLN 54 CO 0.04 1.18 0.13 0.28 -1.93 0.00 0.00 178.83 178.53 1rps h VAL 55 N 0.56 1.24 -0.30 2.39 2.07 -1.74 -1.11 116.25 119.36 1rps h VAL 55 Ca -0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1rps h VAL 55 Cb 1.20 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1rps h VAL 55 CO 0.13 0.31 0.16 0.11 0.02 0.00 0.00 177.57 178.30 1rps h LYS 56 N 0.73 0.42 -0.77 1.57 1.79 -1.46 0.35 116.57 119.20 1rps h LYS 56 Ca 0.16 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1rps h LYS 56 Cb 0.32 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 1rps h LYS 56 CO 0.00 0.37 0.42 0.78 -1.08 0.00 0.00 179.45 179.94 1rps h GLY 57 N 0.36 1.16 1.32 3.86 0.00 -1.30 -2.35 103.07 106.12 1rps h GLY 57 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1rps h GLY 57 CO -0.02 0.51 -0.43 0.84 0.00 0.00 0.00 176.54 177.44 1rps h HIS 58 N 1.07 0.90 -0.76 5.60 -0.00 -1.00 -2.80 115.15 118.17 1rps h HIS 58 Ca 0.27 -0.28 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 1rps h HIS 58 Cb 0.04 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.22 1rps h HIS 58 CO 0.00 1.04 0.50 0.78 -0.00 0.00 0.00 177.93 180.25 1rps h GLY 59 N 0.92 1.01 1.19 5.26 0.00 -0.56 -0.01 103.07 110.88 1rps h GLY 59 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1rps h GLY 59 CO 0.09 0.20 -0.03 1.70 0.00 0.00 0.00 176.54 178.51 1rps h LYS 60 N 0.75 0.96 -0.57 4.80 3.64 -1.18 -0.87 116.57 124.11 1rps h LYS 60 Ca 0.34 -0.30 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1rps h LYS 60 Cb 0.34 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1rps h LYS 60 CO -0.12 0.97 -0.07 0.87 -2.27 0.00 0.00 179.45 178.83 1rps h LYS 61 N 0.88 1.05 0.13 1.90 1.57 -0.82 -0.22 116.57 121.05 1rps h LYS 61 Ca 0.16 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1rps h LYS 61 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1rps h LYS 61 CO 0.03 1.06 -0.06 0.28 -0.57 0.00 0.00 179.45 180.19 1rps h VAL 62 N 0.94 0.93 -0.94 0.50 2.07 -1.12 -2.46 116.25 116.16 1rps h VAL 62 Ca 0.15 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1rps h VAL 62 Cb 0.64 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1rps h VAL 62 CO 0.04 0.05 0.62 0.00 0.02 0.00 0.00 177.57 178.30 1rps h ALA 63 N 0.59 1.19 -0.89 1.67 0.00 -0.99 -1.86 119.26 118.97 1rps h ALA 63 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1rps h ALA 63 Cb 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1rps h ALA 63 CO 0.03 0.59 0.59 -0.44 0.00 0.00 0.00 179.25 180.02 1rps h ASP 64 N 1.27 1.00 0.05 0.00 3.32 -0.97 -0.10 116.42 121.00 1rps h ASP 64 Ca 0.34 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.24 1rps h ASP 64 Cb -0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 1rps h ASP 64 CO -0.07 0.71 -0.47 0.00 -1.72 0.00 0.00 179.24 177.68 1rps h ALA 65 N 1.46 0.83 -0.31 3.45 0.00 -0.92 -1.63 119.26 122.14 1rps h ALA 65 Ca 0.34 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1rps h ALA 65 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rps h ALA 65 CO -0.09 0.66 -0.34 -0.07 0.00 0.00 0.00 179.25 179.41 1rps h LEU 66 N 0.39 0.72 -0.98 0.00 3.38 -0.70 -1.87 115.31 116.25 1rps h LEU 66 Ca 0.02 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1rps h LEU 66 Cb 0.97 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1rps h LEU 66 CO 0.09 1.00 -0.08 0.74 0.09 0.00 0.00 178.44 180.27 1rps h THR 67 N 0.58 1.24 -0.23 0.22 2.02 -0.83 -0.64 112.91 115.27 1rps h THR 67 Ca 0.06 -1.04 -0.15 0.00 0.77 0.00 0.00 66.41 66.04 1rps h THR 67 Cb 0.85 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1rps h THR 67 CO 0.07 0.35 -0.48 -1.13 0.37 0.00 0.00 175.52 174.70 1rps h ASN 68 N 0.60 0.68 -0.51 4.18 -1.24 -1.01 -1.22 115.58 117.06 1rps h ASN 68 Ca 0.11 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 56.75 1rps h ASN 68 Cb 0.50 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 1rps h ASN 68 CO 0.03 1.05 0.18 0.00 -1.29 0.00 0.00 177.43 177.40 1rps h ALA 69 N 0.97 0.67 -0.74 1.57 0.00 -0.79 -2.03 119.26 118.91 1rps h ALA 69 Ca 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1rps h ALA 69 Cb 1.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1rps h ALA 69 CO 0.10 0.30 0.27 0.28 0.00 0.00 0.00 179.25 180.20 1rps h VAL 70 N 0.69 1.25 0.00 0.00 2.07 -1.01 -1.74 116.25 117.51 1rps h VAL 70 Ca 0.17 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1rps h VAL 70 Cb 0.24 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1rps h VAL 70 CO -0.01 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.87 1rps h ALA 71 N 1.21 1.68 -1.12 1.67 0.00 -0.89 -3.02 119.26 118.80 1rps h ALA 71 Ca 0.24 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.62 1rps h ALA 71 Cb 0.24 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.61 1rps h ALA 71 CO -0.02 0.06 -0.89 0.72 0.00 0.00 0.00 179.25 179.12 1rps n HIS 72 N -4.13 2.55 0.30 0.00 8.25 -0.79 -4.87 115.22 116.52 1rps n HIS 72 Ca -0.03 -2.75 0.17 0.00 -0.26 0.00 0.00 57.72 54.86 1rps n HIS 72 Cb 0.13 -0.22 0.94 0.00 1.12 0.00 0.00 29.99 31.97 1rps n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1rps h VAL 73 N 2.90 0.32 -0.27 1.59 3.04 -1.21 0.64 116.25 123.27 1rps h VAL 73 Ca 0.18 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1rps h VAL 73 Cb 1.15 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1rps h VAL 73 CO 0.68 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.75 1rps n ASP 74 N -3.48 1.98 -2.73 3.17 8.00 -1.26 -4.22 116.55 118.01 1rps n ASP 74 Ca -0.02 -1.83 -0.03 0.00 0.71 0.00 0.00 54.79 53.62 1rps n ASP 74 Cb 0.14 -0.17 0.09 0.00 -0.02 0.00 0.00 41.12 41.16 1rps n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rps n ASP 75 N 0.54 -0.24 -0.14 -2.24 2.03 0.18 -5.00 116.55 111.67 1rps n ASP 75 Ca 0.15 -2.23 -0.08 0.00 0.52 0.00 0.00 54.79 53.15 1rps n ASP 75 Cb 0.35 0.23 -0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1rps n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1rps h MET 76 N 1.84 0.58 -0.68 -0.67 2.86 -1.62 -1.03 114.93 116.22 1rps h MET 76 Ca -0.29 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1rps h MET 76 Cb 1.28 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1rps h MET 76 CO 0.01 0.46 0.45 -1.35 1.06 0.00 0.00 176.91 177.55 1rps h PRO 77 N 0.54 0.44 0.08 -0.22 0.11 -1.94 -0.66 132.00 130.34 1rps h PRO 77 Ca 0.15 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.94 1rps h PRO 77 Cb 0.05 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1rps h PRO 77 CO -0.02 0.29 -1.53 -0.91 -0.21 0.00 0.00 178.00 175.62 1rps h ASN 78 N 0.45 0.25 0.39 -2.05 2.35 -1.83 -2.97 115.58 112.17 1rps h ASN 78 Ca 0.32 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1rps h ASN 78 Cb 0.64 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1rps h ASN 78 CO -0.10 1.32 -0.40 0.00 -1.65 0.00 0.00 177.43 176.59 1rps h ALA 79 N 0.65 1.32 -0.55 -0.83 0.00 -0.67 -3.08 119.26 116.09 1rps h ALA 79 Ca -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1rps h ALA 79 Cb 1.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1rps h ALA 79 CO 0.13 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1rps n LEU 80 N -4.06 3.35 -0.01 0.00 4.77 -0.30 -4.65 117.00 116.10 1rps n LEU 80 Ca -0.02 -1.60 -0.09 0.00 -0.03 0.00 0.00 56.01 54.27 1rps n LEU 80 Cb 0.44 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1rps n LEU 80 CO 0.39 0.80 0.70 -1.28 -1.33 0.00 0.00 177.39 176.67 1rps h SER 81 N 3.87 -0.76 -0.99 -1.43 0.87 -1.43 0.23 113.55 113.90 1rps h SER 81 Ca 0.00 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1rps h SER 81 Cb 0.87 0.34 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 1rps h SER 81 CO 0.00 -0.29 0.65 0.00 -0.53 0.00 0.00 176.83 176.66 1rps h ALA 82 N 0.66 1.35 -0.42 6.23 0.00 -1.85 -1.19 119.26 124.04 1rps h ALA 82 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1rps h ALA 82 Cb 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rps h ALA 82 CO -0.32 0.56 -0.23 1.25 0.00 0.00 0.00 179.25 180.50 1rps h LEU 83 N 1.26 0.93 -1.07 0.00 6.46 -1.42 -2.62 115.31 118.84 1rps h LEU 83 Ca 0.39 -0.42 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1rps h LEU 83 Cb -0.01 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1rps h LEU 83 CO -0.12 1.14 0.33 -1.28 -0.62 0.00 0.00 178.44 177.90 1rps h SER 84 N 0.72 0.89 -0.67 1.25 0.87 -0.01 -1.81 113.55 114.79 1rps h SER 84 Ca 0.09 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1rps h SER 84 Cb 0.81 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1rps h SER 84 CO 0.07 0.76 0.20 0.44 -0.53 0.00 0.00 176.83 177.77 1rps h ASP 85 N 0.99 0.98 -0.37 6.23 3.32 -1.10 -2.38 116.42 124.09 1rps h ASP 85 Ca 0.24 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1rps h ASP 85 Cb 0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1rps h ASP 85 CO -0.03 0.94 0.24 0.25 -1.72 0.00 0.00 179.24 178.91 1rps h LEU 86 N 0.98 0.44 -0.69 1.55 6.46 -1.06 -1.66 115.31 121.32 1rps h LEU 86 Ca 0.21 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1rps h LEU 86 Cb 0.31 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1rps h LEU 86 CO -0.00 0.34 0.38 0.45 -0.62 0.00 0.00 178.44 178.98 1rps h HIS 87 N 0.50 0.95 -0.24 1.25 3.86 -1.31 -1.02 115.15 119.13 1rps h HIS 87 Ca 0.14 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1rps h HIS 87 Cb -0.03 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1rps h HIS 87 CO -0.04 0.67 -0.39 0.00 0.86 0.00 0.00 177.93 179.02 1rps h ALA 88 N 1.19 0.87 0.00 2.45 0.00 -0.99 0.25 119.26 123.04 1rps h ALA 88 Ca 0.24 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1rps h ALA 88 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1rps h ALA 88 CO -0.04 0.64 -1.76 0.72 0.00 0.00 0.00 179.25 178.81 1rps n HIS 89 N -4.03 0.00 0.01 0.00 8.25 -0.66 -4.70 115.22 114.08 1rps n HIS 89 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1rps n HIS 89 Cb 0.51 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 1rps n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1rps n LYS 90 N -2.19 0.07 0.37 -0.41 4.81 -0.46 -4.89 118.16 115.46 1rps n LYS 90 Ca -0.10 0.03 -0.18 0.00 -0.87 0.00 0.00 58.31 57.19 1rps n LYS 90 Cb 0.59 -0.45 -0.09 0.00 0.02 0.00 0.00 35.03 35.10 1rps n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1rps h LEU 91 N -0.13 -0.78 -1.28 3.14 3.38 -1.42 -3.47 115.31 114.75 1rps h LEU 91 Ca 0.00 0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.64 1rps h LEU 91 Cb 0.13 0.20 0.15 0.00 0.09 0.00 0.00 40.66 41.23 1rps h LEU 91 CO 0.00 -0.54 -0.71 0.54 0.09 0.00 0.00 178.44 177.82 1rps n ARG 92 N -5.48 -7.06 -2.71 1.13 1.74 0.89 -4.94 116.66 100.23 1rps n ARG 92 Ca -0.14 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.36 1rps n ARG 92 Cb 0.37 -5.78 -0.05 0.00 -1.02 0.00 0.00 32.46 25.98 1rps n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rps s VAL 93 N -3.33 4.13 0.22 1.55 1.01 -1.26 -4.98 120.40 117.74 1rps s VAL 93 Ca 0.27 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.96 1rps s VAL 93 Cb -0.12 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.87 1rps s VAL 93 CO 0.71 0.43 1.60 -0.62 0.00 0.00 0.00 175.10 177.22 1rps s ASP 94 N -0.79 6.48 0.51 3.32 -1.08 -1.26 -4.87 116.67 118.99 1rps s ASP 94 Ca 0.43 2.78 0.34 0.00 -0.52 0.00 0.00 52.55 55.58 1rps s ASP 94 Cb -0.26 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 40.06 1rps s ASP 94 CO 0.32 -0.87 1.76 -0.65 0.52 0.00 0.00 175.17 176.25 1rps h PRO 95 N 6.04 0.09 0.00 4.34 0.11 -2.00 0.40 132.00 140.98 1rps h PRO 95 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1rps h PRO 95 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rps h PRO 95 CO 0.88 0.06 -0.16 -0.39 -0.21 0.00 0.00 178.00 178.17 1rps h VAL 96 N 0.09 0.90 0.00 3.15 -1.51 -2.03 -2.10 116.25 114.75 1rps h VAL 96 Ca 0.62 -0.60 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 1rps h VAL 96 Cb 2.27 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 32.77 1rps h VAL 96 CO -0.10 0.16 -0.05 0.78 -1.23 0.00 0.00 177.57 177.13 1rps h ASN 97 N 0.00 0.00 -0.16 4.19 4.21 -1.27 -2.27 115.58 120.28 1rps h ASN 97 Ca -0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 1rps h ASN 97 Cb 0.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1rps h ASN 97 CO 0.02 0.05 -0.22 -0.26 -1.29 0.00 0.00 177.43 175.73 1rps h PHE 98 N 0.00 0.68 -0.31 1.19 -1.00 -1.53 -1.34 116.94 114.63 1rps h PHE 98 Ca -0.00 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.54 1rps h PHE 98 Cb 0.29 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1rps h PHE 98 CO 0.00 0.78 -0.23 0.87 -1.61 0.00 0.00 178.31 178.11 1rps h LYS 99 N 0.54 0.60 -0.49 1.51 1.57 -1.55 -1.43 116.57 117.31 1rps h LYS 99 Ca 0.08 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1rps h LYS 99 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1rps h LYS 99 CO 0.05 0.78 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.43 1rps h LEU 100 N 0.52 1.03 -0.47 2.94 3.38 -1.24 -1.98 115.31 119.49 1rps h LEU 100 Ca 0.08 -0.39 -0.17 0.00 0.09 0.00 0.00 57.88 57.48 1rps h LEU 100 Cb 0.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1rps h LEU 100 CO 0.05 1.19 -0.74 0.25 0.09 0.00 0.00 178.44 179.29 1rps h LEU 101 N 0.86 0.26 -0.46 1.67 5.85 -1.23 -2.72 115.31 119.54 1rps h LEU 101 Ca 0.11 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1rps h LEU 101 Cb 0.79 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1rps h LEU 101 CO 0.07 0.91 0.05 0.28 -0.34 0.00 0.00 178.44 179.41 1rps h SER 102 N 0.14 0.75 -0.93 1.25 0.02 -1.08 -0.75 113.55 112.96 1rps h SER 102 Ca -0.02 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1rps h SER 102 Cb 1.30 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.59 1rps h SER 102 CO 0.11 0.84 0.61 -0.74 -1.14 0.00 0.00 176.83 176.51 1rps h HIS 103 N 0.64 1.15 -0.01 3.45 -0.00 -1.30 -1.16 115.15 117.93 1rps h HIS 103 Ca 0.14 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.41 1rps h HIS 103 Cb 0.42 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1rps h HIS 103 CO 0.03 0.70 -0.59 0.00 -0.00 0.00 0.00 177.93 178.07 1rps h LEU 105 N 0.02 1.03 -0.32 0.00 3.38 -0.72 -1.50 115.31 117.19 1rps h LEU 105 Ca -0.01 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1rps h LEU 105 Cb 1.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1rps h LEU 105 CO 0.08 1.03 -0.16 -0.07 0.09 0.00 0.00 178.44 179.41 1rps h LEU 106 N 1.00 0.70 -0.74 1.67 3.38 -0.61 -0.02 115.31 120.69 1rps h LEU 106 Ca 0.20 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.84 1rps h LEU 106 Cb 0.45 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1rps h LEU 106 CO 0.01 0.95 0.41 0.58 0.09 0.00 0.00 178.44 180.48 1rps h VAL 107 N 0.45 0.91 -0.37 1.22 2.07 -1.14 0.17 116.25 119.57 1rps h VAL 107 Ca 0.07 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1rps h VAL 107 Cb 0.69 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1rps h VAL 107 CO 0.05 0.13 0.09 0.74 0.02 0.00 0.00 177.57 178.60 1rps h THR 108 N 0.71 1.22 -0.69 2.57 2.02 -0.76 -0.43 112.91 117.54 1rps h THR 108 Ca 0.35 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1rps h THR 108 Cb 0.30 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1rps h THR 108 CO -0.23 0.26 0.17 -0.07 0.37 0.00 0.00 175.52 176.02 1rps h LEU 109 N 0.44 1.03 -1.06 2.58 3.38 -0.50 -2.77 115.31 118.42 1rps h LEU 109 Ca 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1rps h LEU 109 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1rps h LEU 109 CO 0.00 0.99 0.14 0.00 0.09 0.00 0.00 178.44 179.67 1rps h ALA 110 N 1.08 1.24 0.00 1.53 0.00 -0.27 0.14 119.26 122.98 1rps h ALA 110 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rps h ALA 110 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rps h ALA 110 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1rps n ALA 111 N -2.46 1.81 -0.00 0.00 0.00 -0.21 -3.58 120.51 116.07 1rps n ALA 111 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1rps n ALA 111 Cb 0.22 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1rps n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rps n HIS 112 N -2.14 0.00 -3.23 0.00 -0.00 -0.89 -4.84 115.22 104.11 1rps n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 1rps n HIS 112 Cb 0.27 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.99 30.10 1rps n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rps n LEU 113 N -1.68 3.31 -0.23 2.41 4.32 0.43 -4.95 117.00 120.61 1rps n LEU 113 Ca -0.01 -5.39 0.00 0.00 -0.02 0.00 0.00 56.01 50.59 1rps n LEU 113 Cb 0.14 -0.37 0.12 0.00 -1.62 0.00 0.00 43.42 41.70 1rps n LEU 113 CO 0.08 2.17 1.05 1.55 -1.22 0.00 0.00 177.39 181.02 1rps h PRO 114 N 3.72 0.56 -0.11 3.23 0.13 -1.82 -1.37 132.00 136.33 1rps h PRO 114 Ca 0.16 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 65.07 1rps h PRO 114 Cb 0.66 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1rps h PRO 114 CO 0.76 0.37 -0.71 0.00 -0.23 0.00 0.00 178.00 178.19 1rps h ALA 115 N 1.40 0.56 0.00 -0.56 0.00 -1.94 -3.30 119.26 115.43 1rps h ALA 115 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rps h ALA 115 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rps h ALA 115 CO -0.25 0.74 -0.52 1.05 0.00 0.00 0.00 179.25 180.27 1rps h GLU 116 N 0.35 0.00 -3.05 0.00 9.09 -1.85 -3.39 114.58 115.73 1rps h GLU 116 Ca -0.03 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 58.65 1rps h GLU 116 Cb 1.29 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.28 1rps h GLU 116 CO 0.13 0.00 2.53 0.34 0.05 0.00 0.00 179.01 182.06 1rps n PHE 117 N -2.30 2.74 -1.90 2.06 7.35 -0.57 -4.74 117.46 120.10 1rps n PHE 117 Ca 0.03 -2.86 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 1rps n PHE 117 Cb 0.46 -2.01 0.08 0.00 0.35 0.00 0.00 39.48 38.36 1rps n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rps s THR 118 N 0.07 2.47 0.20 -2.13 -4.23 -1.26 -4.80 115.64 105.96 1rps s THR 118 Ca 0.51 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 1rps s THR 118 Cb 0.15 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1rps s THR 118 CO -0.06 -0.20 1.68 -0.65 -0.54 0.00 0.00 174.62 174.85 1rps h PRO 119 N -0.92 0.11 -0.38 3.99 0.11 -1.99 -0.11 132.00 132.81 1rps h PRO 119 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1rps h PRO 119 Cb 1.31 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1rps h PRO 119 CO 0.65 0.08 -0.20 0.00 -0.21 0.00 0.00 178.00 178.32 1rps h ALA 120 N 1.48 0.94 -0.26 -0.75 0.00 -1.96 -0.48 119.26 118.23 1rps h ALA 120 Ca 0.28 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1rps h ALA 120 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rps h ALA 120 CO -0.46 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 179.66 1rps h VAL 121 N 0.64 1.27 -0.76 0.00 2.07 -1.77 -0.94 116.25 116.76 1rps h VAL 121 Ca 0.09 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1rps h VAL 121 Cb 0.69 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1rps h VAL 121 CO 0.05 0.31 0.45 -0.74 0.02 0.00 0.00 177.57 177.66 1rps h HIS 122 N 0.24 0.83 -0.01 1.57 6.17 -0.67 0.15 115.15 123.44 1rps h HIS 122 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1rps h HIS 122 Cb 0.47 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.13 1rps h HIS 122 CO 0.04 0.40 0.00 0.00 0.71 0.00 0.00 177.93 179.09 1rps h ALA 123 N 1.38 0.01 -0.27 5.26 0.00 -0.95 -1.27 119.26 123.42 1rps h ALA 123 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1rps h ALA 123 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rps h ALA 123 CO -0.18 -0.48 0.17 0.77 0.00 0.00 0.00 179.25 179.53 1rps h SER 124 N -0.02 0.32 -0.10 0.00 0.02 -0.32 -1.73 113.55 111.73 1rps h SER 124 Ca 0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1rps h SER 124 Cb 0.03 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1rps h SER 124 CO -0.00 0.26 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.87 1rps h LEU 125 N 0.35 0.25 -0.36 5.07 3.38 -0.61 -0.03 115.31 123.36 1rps h LEU 125 Ca 0.10 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1rps h LEU 125 Cb -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1rps h LEU 125 CO -0.02 0.31 -0.41 -0.78 0.09 0.00 0.00 178.44 177.63 1rps h ASP 126 N 0.27 0.98 -0.07 -0.43 3.58 -0.71 0.01 116.42 120.05 1rps h ASP 126 Ca 0.06 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 1rps h ASP 126 Cb 0.20 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1rps h ASP 126 CO 0.00 1.27 0.03 0.11 -2.88 0.00 0.00 179.24 177.77 1rps h LYS 127 N 0.72 0.11 -0.44 0.28 1.57 -0.84 -1.86 116.57 116.12 1rps h LYS 127 Ca 0.05 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1rps h LYS 127 Cb 1.01 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.22 1rps h LYS 127 CO 0.10 0.23 -0.13 0.35 -0.57 0.00 0.00 179.45 179.43 1rps h PHE 128 N -0.04 -0.29 -0.22 -1.35 3.57 -0.83 -0.78 116.94 117.00 1rps h PHE 128 Ca 0.02 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1rps h PHE 128 Cb 0.16 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1rps h PHE 128 CO -0.02 -0.21 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.57 1rps h LEU 129 N -0.03 0.40 -0.80 0.59 3.38 -0.88 0.12 115.31 118.09 1rps h LEU 129 Ca 0.21 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1rps h LEU 129 Cb 0.35 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1rps h LEU 129 CO -0.47 0.62 0.20 0.00 0.09 0.00 0.00 178.44 178.89 1rps h ALA 130 N 1.42 1.02 -0.33 1.53 0.00 -0.78 -0.62 119.26 121.49 1rps h ALA 130 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1rps h ALA 130 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rps h ALA 130 CO 0.04 0.65 -0.21 0.77 0.00 0.00 0.00 179.25 180.50 1rps h SER 131 N 1.06 0.76 -0.02 0.00 0.02 -0.29 -1.32 113.55 113.77 1rps h SER 131 Ca 0.23 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1rps h SER 131 Cb 0.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rps h SER 131 CO -0.00 1.03 -0.09 0.58 -1.14 0.00 0.00 176.83 177.20 1rps h VAL 132 N 0.50 0.76 -0.94 2.27 2.07 -0.85 -1.80 116.25 118.26 1rps h VAL 132 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 1rps h VAL 132 Cb 0.77 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1rps h VAL 132 CO 0.06 0.00 0.60 0.28 0.02 0.00 0.00 177.57 178.53 1rps h SER 133 N -0.15 0.88 -0.49 0.57 0.02 -1.06 -0.95 113.55 112.37 1rps h SER 133 Ca 0.04 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1rps h SER 133 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1rps h SER 133 CO -0.11 0.51 -0.13 0.74 -1.14 0.00 0.00 176.83 176.71 1rps h THR 134 N 0.97 1.27 -0.37 -2.27 2.02 -0.90 -2.73 112.91 110.90 1rps h THR 134 Ca 0.44 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1rps h THR 134 Cb 0.38 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1rps h THR 134 CO -0.19 0.44 0.13 0.58 0.37 0.00 0.00 175.52 176.85 1rps h VAL 135 N 0.86 1.20 0.00 3.16 2.07 -0.41 -1.72 116.25 121.41 1rps h VAL 135 Ca 0.13 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1rps h VAL 135 Cb 0.68 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1rps h VAL 135 CO 0.05 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1rps n LEU 136 N -4.66 0.00 -0.06 2.57 4.77 -0.47 -2.32 117.00 116.84 1rps n LEU 136 Ca -0.01 0.47 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 1rps n LEU 136 Cb 0.15 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1rps n LEU 136 CO 0.37 -0.25 0.27 0.41 -1.33 0.00 0.00 177.39 176.86 1rps n THR 137 N -1.47 0.00 0.56 -5.08 -1.04 -1.04 -4.51 114.28 101.71 1rps n THR 137 Ca 0.04 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1rps n THR 137 Cb 0.15 1.03 0.45 0.00 -1.82 0.00 0.00 70.33 70.14 1rps n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1rps n SER 138 N 0.07 0.58 -0.49 8.00 3.41 -0.67 -3.14 113.62 121.38 1rps n SER 138 Ca 0.01 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 1rps n SER 138 Cb 0.04 -0.73 0.19 0.00 -0.26 0.00 0.00 64.21 63.44 1rps n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1rps n LYS 139 N -2.08 1.56 0.19 4.33 5.02 -1.26 -4.71 118.16 121.20 1rps n LYS 139 Ca 0.04 -3.05 0.04 0.00 -2.02 0.00 0.00 58.31 53.33 1rps n LYS 139 Cb 0.31 -1.61 0.34 0.00 -0.02 0.00 0.00 35.03 34.06 1rps n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1rps h TYR 140 N 0.71 0.00 0.00 2.13 -1.99 -1.88 -3.46 116.97 112.48 1rps h TYR 140 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1rps h TYR 140 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 1rps h TYR 140 CO 0.53 0.40 0.00 2.89 -0.00 0.00 0.00 178.16 181.98