#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yev s LEU 2 N 0.00 4.56 0.93 7.52 1.43 -1.26 -4.99 118.68 126.86 1yev s LEU 2 Ca 0.00 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1yev s LEU 2 Cb 0.00 -2.39 0.15 0.00 0.03 0.00 0.00 46.19 43.98 1yev s LEU 2 CO 0.00 -0.43 1.11 -0.94 0.23 0.00 0.00 176.35 176.32 1yev s SER 3 N 1.76 3.28 0.21 2.29 1.04 -1.26 -4.84 113.70 116.18 1yev s SER 3 Ca 0.13 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 1yev s SER 3 Cb -0.17 -1.76 0.26 0.00 0.10 0.00 0.00 66.02 64.45 1yev s SER 3 CO 0.12 -2.71 1.81 -0.65 0.98 0.00 0.00 173.24 172.79 1yev h PRO 4 N -1.60 0.69 -0.43 4.02 0.11 -1.99 -1.80 132.00 130.98 1yev h PRO 4 Ca -0.52 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1yev h PRO 4 Cb 1.32 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1yev h PRO 4 CO 0.59 0.45 0.22 0.00 -0.21 0.00 0.00 178.00 179.06 1yev h ALA 5 N 1.36 0.56 -0.99 -0.75 0.00 -1.99 -1.90 119.26 115.54 1yev h ALA 5 Ca 0.31 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1yev h ALA 5 Cb 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1yev h ALA 5 CO -0.19 0.11 0.63 -0.44 0.00 0.00 0.00 179.25 179.36 1yev h ASP 6 N 0.56 0.90 -0.37 0.00 3.32 -1.79 -0.40 116.42 118.65 1yev h ASP 6 Ca 0.15 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1yev h ASP 6 Cb 0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1yev h ASP 6 CO -0.02 0.48 -0.26 0.11 -1.72 0.00 0.00 179.24 177.83 1yev h LYS 7 N 0.97 0.83 -0.35 3.56 1.57 -0.69 -1.05 116.57 121.41 1yev h LYS 7 Ca 0.49 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1yev h LYS 7 Cb 0.50 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1yev h LYS 7 CO -0.25 1.03 0.22 1.15 -0.57 0.00 0.00 179.45 181.02 1yev h THR 8 N 0.63 1.06 -0.40 -0.16 2.02 -0.82 0.30 112.91 115.53 1yev h THR 8 Ca 0.07 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1yev h THR 8 Cb 0.83 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1yev h THR 8 CO 0.07 0.08 0.19 0.78 0.37 0.00 0.00 175.52 177.01 1yev h ASN 9 N 0.44 0.53 0.18 4.18 -0.26 -0.79 -1.23 115.58 118.62 1yev h ASN 9 Ca 0.13 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1yev h ASN 9 Cb -0.02 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1yev h ASN 9 CO -0.05 0.52 -0.09 0.58 -1.06 0.00 0.00 177.43 177.33 1yev h VAL 10 N 0.51 0.87 -0.39 2.81 2.07 -0.97 0.18 116.25 121.32 1yev h VAL 10 Ca 0.14 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1yev h VAL 10 Cb 0.13 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1yev h VAL 10 CO -0.02 0.05 -0.09 0.11 0.02 0.00 0.00 177.57 177.65 1yev h LYS 11 N -0.34 0.01 -0.52 1.57 1.57 -0.84 0.17 116.57 118.19 1yev h LYS 11 Ca -0.02 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1yev h LYS 11 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1yev h LYS 11 CO 0.04 0.01 0.10 0.00 -0.57 0.00 0.00 179.45 179.03 1yev h ALA 12 N 1.38 0.69 -0.08 3.86 0.00 -1.07 0.31 119.26 124.35 1yev h ALA 12 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yev h ALA 12 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yev h ALA 12 CO -0.39 0.40 0.01 0.00 0.00 0.00 0.00 179.25 179.27 1yev h ALA 13 N 0.99 0.11 -0.38 0.00 0.00 -0.12 -2.27 119.26 117.59 1yev h ALA 13 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yev h ALA 13 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1yev h ALA 13 CO 0.01 -0.23 -0.04 2.35 0.00 0.00 0.00 179.25 181.34 1yev h TRP 14 N -0.12 0.66 -0.34 0.00 2.91 -0.56 -1.75 115.95 116.76 1yev h TRP 14 Ca 0.02 -0.09 0.06 0.00 1.13 0.00 0.00 58.89 60.01 1yev h TRP 14 Cb 0.30 -0.18 -0.08 0.00 -0.51 0.00 0.00 29.16 28.69 1yev h TRP 14 CO 0.02 0.66 -0.47 0.78 -1.03 0.00 0.00 178.44 178.40 1yev h GLY 15 N 0.92 -0.73 2.00 2.65 0.00 -0.31 -0.66 103.07 106.94 1yev h GLY 15 Ca 0.12 0.59 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 1yev h GLY 15 CO 0.02 -0.18 -0.03 0.50 0.00 0.00 0.00 176.54 176.85 1yev h LYS 16 N -0.40 0.00 -0.33 4.80 1.79 -0.72 -1.73 116.57 119.98 1yev h LYS 16 Ca 0.10 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1yev h LYS 16 Cb 0.61 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1yev h LYS 16 CO -0.54 0.03 -0.04 0.28 -1.08 0.00 0.00 179.45 178.10 1yev h VAL 17 N 0.00 1.27 0.00 0.50 2.07 -0.67 -3.46 116.25 115.95 1yev h VAL 17 Ca -0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1yev h VAL 17 Cb 0.16 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1yev h VAL 17 CO 0.00 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1yev n GLY 18 N -0.26 2.92 0.01 2.17 0.00 -0.65 -1.75 105.19 107.63 1yev n GLY 18 Ca -0.02 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1yev n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yev n ALA 19 N 10.52 1.94 0.51 4.61 0.00 -1.26 -3.03 120.51 133.79 1yev n ALA 19 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1yev n ALA 19 Cb 0.00 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.32 1yev n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yev n HIS 20 N -1.56 0.62 -0.02 0.00 -0.00 -0.72 -4.46 115.22 109.07 1yev n HIS 20 Ca 0.05 -0.31 -0.09 0.00 -0.00 0.00 0.00 57.72 57.36 1yev n HIS 20 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.20 1yev n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yev h ALA 21 N 3.88 0.14 -0.50 -1.41 0.00 -1.66 -2.04 119.26 117.67 1yev h ALA 21 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1yev h ALA 21 Cb 0.63 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1yev h ALA 21 CO 0.00 -0.44 0.18 0.78 0.00 0.00 0.00 179.25 179.77 1yev h GLY 22 N 0.06 0.67 1.01 0.00 0.00 -1.85 0.04 103.07 103.01 1yev h GLY 22 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1yev h GLY 22 CO -0.12 0.00 0.19 1.05 0.00 0.00 0.00 176.54 177.66 1yev h GLU 23 N 0.35 0.95 -0.88 4.80 4.11 -1.83 -0.82 114.58 121.26 1yev h GLU 23 Ca 0.24 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1yev h GLU 23 Cb 0.26 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1yev h GLU 23 CO -0.25 0.84 0.54 1.88 0.07 0.00 0.00 179.01 182.09 1yev h TYR 24 N 0.87 1.15 -0.47 2.06 0.05 -1.00 0.13 116.97 119.77 1yev h TYR 24 Ca 0.20 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.85 1yev h TYR 24 Cb 0.29 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1yev h TYR 24 CO 0.02 0.75 -0.23 0.78 -1.05 0.00 0.00 178.16 178.43 1yev h GLY 25 N 1.22 1.05 0.94 3.88 0.00 -0.78 0.25 103.07 109.62 1yev h GLY 25 Ca 0.32 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1yev h GLY 25 CO -0.06 0.85 0.14 0.00 0.00 0.00 0.00 176.54 177.47 1yev h ALA 26 N 0.89 0.50 -0.55 3.60 0.00 -0.55 -1.61 119.26 121.54 1yev h ALA 26 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1yev h ALA 26 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1yev h ALA 26 CO 0.07 0.12 0.17 1.49 0.00 0.00 0.00 179.25 181.10 1yev h GLU 27 N 0.47 0.82 -0.34 0.00 4.81 -0.48 -2.37 114.58 117.49 1yev h GLU 27 Ca 0.13 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1yev h GLU 27 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1yev h GLU 27 CO -0.01 0.71 0.10 0.00 -0.73 0.00 0.00 179.01 179.09 1yev h ALA 28 N 1.39 0.45 -0.79 2.92 0.00 -0.60 0.12 119.26 122.75 1yev h ALA 28 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yev h ALA 28 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1yev h ALA 28 CO -0.01 0.09 0.51 -0.07 0.00 0.00 0.00 179.25 179.78 1yev h LEU 29 N 0.40 0.86 -0.69 0.00 3.38 -1.14 -1.73 115.31 116.40 1yev h LEU 29 Ca 0.11 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1yev h LEU 29 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1yev h LEU 29 CO -0.00 0.61 -0.00 -0.08 0.09 0.00 0.00 178.44 179.05 1yev h GLU 30 N 1.02 1.02 -0.83 1.13 4.81 -0.89 -1.46 114.58 119.37 1yev h GLU 30 Ca 0.31 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1yev h GLU 30 Cb -0.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1yev h GLU 30 CO -0.09 1.00 0.54 0.00 -0.73 0.00 0.00 179.01 179.72 1yev h ARG 31 N 0.93 1.10 0.00 1.92 3.08 -0.79 -2.05 114.38 118.58 1yev h ARG 31 Ca 0.17 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1yev h ARG 31 Cb 0.54 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1yev h ARG 31 CO 0.03 0.74 -0.00 1.98 -1.07 0.00 0.00 179.97 181.65 1yev h MET 32 N 1.13 -0.01 -0.90 0.04 4.05 -0.95 0.23 114.93 118.53 1yev h MET 32 Ca 0.30 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.77 1yev h MET 32 Cb -0.11 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.63 1yev h MET 32 CO -0.06 0.27 0.59 0.74 0.23 0.00 0.00 176.91 178.67 1yev h PHE 33 N -0.28 1.08 0.09 1.39 0.04 -1.19 0.94 116.94 119.01 1yev h PHE 33 Ca -0.00 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 1yev h PHE 33 Cb 0.27 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 38.09 1yev h PHE 33 CO 0.02 0.60 -0.83 -0.07 -0.60 0.00 0.00 178.31 177.43 1yev h LEU 34 N 1.09 0.58 0.00 1.54 3.38 -1.31 -3.27 115.31 117.32 1yev h LEU 34 Ca 0.37 -0.86 -0.15 0.00 0.09 0.00 0.00 57.88 57.34 1yev h LEU 34 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1yev h LEU 34 CO -0.12 1.38 -0.74 0.28 0.09 0.00 0.00 178.44 179.33 1yev h SER 35 N -0.14 0.00 -2.39 -0.43 0.02 -0.82 -3.39 113.55 106.40 1yev h SER 35 Ca -0.13 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.23 1yev h SER 35 Cb 1.58 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.73 1yev h SER 35 CO 0.16 0.68 -0.89 0.49 -1.14 0.00 0.00 176.83 176.12 1yev n PHE 36 N -3.24 0.45 0.16 3.45 3.72 0.31 -5.00 117.46 117.31 1yev n PHE 36 Ca 0.00 -3.64 0.19 0.00 -0.05 0.00 0.00 57.45 53.95 1yev n PHE 36 Cb 0.81 -0.13 0.78 0.00 -0.94 0.00 0.00 39.48 39.99 1yev n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yev h PRO 37 N 5.04 0.00 0.00 -1.08 0.11 -1.74 -1.60 132.00 132.74 1yev h PRO 37 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1yev h PRO 37 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1yev h PRO 37 CO 0.50 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.08 1yev h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -2.36 112.91 108.83 1yev h THR 38 Ca 0.14 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1yev h THR 38 Cb 0.90 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1yev h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1yev h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.61 -2.86 112.91 116.61 1yev h THR 39 Ca 0.00 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 1yev h THR 39 Cb 0.10 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1yev h THR 39 CO 0.00 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 175.27 1yev h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.65 -2.81 116.57 118.40 1yev h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yev h LYS 40 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1yev h LYS 40 CO 0.00 0.11 0.00 1.79 -0.57 0.00 0.00 179.45 180.78 1yev h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.70 0.25 112.91 112.65 1yev h THR 41 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1yev h THR 41 Cb 0.57 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1yev h THR 41 CO 0.01 0.00 -0.52 -1.22 -0.25 0.00 0.00 175.52 173.55 1yev n TYR 42 N -2.75 0.07 -2.65 4.73 4.01 -1.06 -4.37 117.16 115.15 1yev n TYR 42 Ca -0.02 0.02 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1yev n TYR 42 Cb 0.07 -0.31 -0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1yev n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yev n PHE 43 N -1.58 2.90 0.17 -0.72 3.01 0.87 -4.87 117.46 117.24 1yev n PHE 43 Ca 0.05 -3.27 0.05 0.00 1.01 0.00 0.00 57.45 55.29 1yev n PHE 43 Cb 0.35 -0.24 0.19 0.00 -0.01 0.00 0.00 39.48 39.77 1yev n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yev h PRO 44 N 2.77 0.00 -0.06 -1.08 0.13 -1.75 -2.69 132.00 129.32 1yev h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1yev h PRO 44 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1yev h PRO 44 CO 0.75 0.41 0.00 -2.39 -0.23 0.00 0.00 178.00 176.54 1yev n HIS 45 N -3.33 0.08 -3.71 1.56 1.44 -1.26 -4.87 115.22 105.13 1yev n HIS 45 Ca 0.01 -0.04 -0.25 0.00 -2.01 0.00 0.00 57.72 55.43 1yev n HIS 45 Cb 0.62 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.70 1yev n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yev s PHE 46 N -1.92 3.48 -0.40 -1.40 0.40 -1.01 -5.07 117.98 112.05 1yev s PHE 46 Ca 0.24 0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 56.60 1yev s PHE 46 Cb 0.12 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.89 1yev s PHE 46 CO 0.19 0.34 0.62 0.34 0.70 0.00 0.00 175.22 177.41 1yev s ASP 47 N -3.59 6.35 -0.40 1.36 2.15 -1.26 -4.95 116.67 116.32 1yev s ASP 47 Ca 0.37 -0.17 0.06 0.00 0.43 0.00 0.00 52.55 53.24 1yev s ASP 47 Cb -0.10 -2.31 0.70 0.00 -0.30 0.00 0.00 42.92 40.91 1yev s ASP 47 CO 0.31 -0.68 1.88 0.18 -0.17 0.00 0.00 175.17 176.68 1yev n LEU 48 N 6.12 6.49 -4.90 -1.34 4.77 -1.26 -4.51 117.00 122.37 1yev n LEU 48 Ca -0.02 -3.47 -0.28 0.00 -0.03 0.00 0.00 56.01 52.20 1yev n LEU 48 Cb 0.48 -0.80 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1yev n LEU 48 CO 0.51 0.97 0.65 -0.94 -1.33 0.00 0.00 177.39 177.24 1yev s SER 49 N -1.22 5.51 -0.14 -1.43 1.04 -1.26 -4.97 113.70 111.23 1yev s SER 49 Ca 0.56 0.92 -0.29 0.00 0.48 0.00 0.00 55.95 57.63 1yev s SER 49 Cb 0.47 -1.81 -0.06 0.00 0.10 0.00 0.00 66.02 64.72 1yev s SER 49 CO 0.12 -1.21 1.98 -2.28 0.98 0.00 0.00 173.24 172.82 1yev s HIS 50 N -3.18 1.45 0.00 5.02 2.46 -1.26 -1.56 115.29 118.21 1yev s HIS 50 Ca 0.56 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1yev s HIS 50 Cb -0.11 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 1yev s HIS 50 CO 0.48 -4.26 0.00 0.41 -2.47 0.00 0.00 174.74 168.90 1yev n GLY 51 N 5.08 0.44 3.46 1.59 0.00 -1.26 -5.03 105.19 109.49 1yev n GLY 51 Ca 0.24 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.70 1yev n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yev n SER 52 N 0.00 -0.40 0.17 1.61 2.88 -0.60 -4.79 113.62 112.49 1yev n SER 52 Ca 0.00 1.15 0.05 0.00 -1.33 0.00 0.00 58.87 58.74 1yev n SER 52 Cb 0.00 -0.93 0.15 0.00 -0.75 0.00 0.00 64.21 62.68 1yev n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yev h ALA 53 N 2.37 0.80 -0.51 -1.46 0.00 -1.91 -1.85 119.26 116.71 1yev h ALA 53 Ca -0.44 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1yev h ALA 53 Cb 1.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1yev h ALA 53 CO 0.62 0.47 -0.07 0.37 0.00 0.00 0.00 179.25 180.64 1yev h GLN 54 N 0.00 0.91 -0.37 0.00 4.15 -1.87 0.76 115.11 118.70 1yev h GLN 54 Ca -0.00 -0.30 -0.17 0.00 0.77 0.00 0.00 58.65 58.95 1yev h GLN 54 Cb 1.18 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1yev h GLN 54 CO 0.05 0.95 -0.42 0.28 -1.93 0.00 0.00 178.83 177.76 1yev h VAL 55 N 0.82 1.27 -0.45 2.39 2.07 -1.68 -0.97 116.25 119.71 1yev h VAL 55 Ca 0.14 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1yev h VAL 55 Cb 0.59 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1yev h VAL 55 CO 0.04 0.53 0.14 0.11 0.02 0.00 0.00 177.57 178.41 1yev h LYS 56 N 0.75 0.70 -0.79 1.57 1.79 -1.24 0.75 116.57 120.10 1yev h LYS 56 Ca 0.05 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1yev h LYS 56 Cb 1.02 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.53 1yev h LYS 56 CO 0.10 0.68 0.47 0.78 -1.08 0.00 0.00 179.45 180.41 1yev h GLY 57 N 0.59 1.14 1.37 3.86 0.00 -0.69 -2.13 103.07 107.22 1yev h GLY 57 Ca 0.14 -0.47 -0.29 0.00 0.00 0.00 0.00 47.33 46.71 1yev h GLY 57 CO -0.00 0.46 -1.26 0.84 0.00 0.00 0.00 176.54 176.58 1yev h HIS 58 N 1.09 0.85 -0.94 5.60 -0.00 -0.99 -3.05 115.15 117.70 1yev h HIS 58 Ca 0.28 -0.56 0.09 0.00 -0.00 0.00 0.00 60.37 60.18 1yev h HIS 58 Cb -0.04 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 27.24 1yev h HIS 58 CO 0.00 1.41 0.61 0.78 -0.00 0.00 0.00 177.93 180.73 1yev h GLY 59 N 0.67 1.42 0.98 5.26 0.00 -0.60 -1.60 103.07 109.20 1yev h GLY 59 Ca -0.18 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1yev h GLY 59 CO 0.23 0.24 0.18 1.70 0.00 0.00 0.00 176.54 178.90 1yev h LYS 60 N 1.00 0.81 -0.59 4.80 1.63 -1.30 -2.09 116.57 120.83 1yev h LYS 60 Ca 0.43 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1yev h LYS 60 Cb 0.34 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1yev h LYS 60 CO -0.19 0.73 0.15 0.87 -3.45 0.00 0.00 179.45 177.56 1yev h LYS 61 N 0.73 0.91 -0.59 1.90 1.57 -1.27 -1.55 116.57 118.26 1yev h LYS 61 Ca 0.17 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1yev h LYS 61 Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1yev h LYS 61 CO -0.01 0.81 0.06 0.28 -0.57 0.00 0.00 179.45 180.02 1yev h VAL 62 N 0.87 1.25 -0.09 0.50 2.07 -1.04 -2.30 116.25 117.52 1yev h VAL 62 Ca 0.19 -1.03 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 1yev h VAL 62 Cb 0.31 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1yev h VAL 62 CO -0.00 0.38 -0.58 0.00 0.02 0.00 0.00 177.57 177.39 1yev h ALA 63 N 1.14 0.84 -0.64 1.67 0.00 -1.02 -2.01 119.26 119.25 1yev h ALA 63 Ca 0.18 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1yev h ALA 63 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1yev h ALA 63 CO 0.02 0.71 0.05 -0.44 0.00 0.00 0.00 179.25 179.58 1yev h ASP 64 N 0.22 1.06 -0.82 0.00 3.32 -1.04 0.91 116.42 120.07 1yev h ASP 64 Ca -0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1yev h ASP 64 Cb 1.08 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1yev h ASP 64 CO 0.09 1.08 0.41 0.00 -1.72 0.00 0.00 179.24 179.10 1yev h ALA 65 N 1.03 1.17 -0.33 3.45 0.00 -1.21 -0.73 119.26 122.64 1yev h ALA 65 Ca 0.19 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1yev h ALA 65 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1yev h ALA 65 CO 0.02 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.41 1yev h LEU 66 N 1.17 0.90 -0.64 0.00 3.38 -0.69 -0.69 115.31 118.74 1yev h LEU 66 Ca 0.29 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1yev h LEU 66 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1yev h LEU 66 CO -0.04 1.20 0.41 0.74 0.09 0.00 0.00 178.44 180.84 1yev h THR 67 N 0.67 1.12 -0.60 0.22 2.02 -0.60 -0.67 112.91 115.07 1yev h THR 67 Ca 0.05 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1yev h THR 67 Cb 1.00 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1yev h THR 67 CO 0.10 0.15 -0.01 -1.13 0.37 0.00 0.00 175.52 175.00 1yev h ASN 68 N 0.82 1.05 -0.83 4.18 -1.24 -0.98 0.42 115.58 119.00 1yev h ASN 68 Ca 0.24 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 1yev h ASN 68 Cb -0.04 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.69 1yev h ASN 68 CO -0.08 1.10 0.47 0.00 -1.29 0.00 0.00 177.43 177.63 1yev h ALA 69 N 1.00 1.06 -0.28 1.57 0.00 -0.67 -1.35 119.26 120.58 1yev h ALA 69 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1yev h ALA 69 Cb 0.57 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1yev h ALA 69 CO 0.03 0.55 0.04 0.28 0.00 0.00 0.00 179.25 180.15 1yev h VAL 70 N 1.14 1.24 -0.29 0.00 2.07 -0.67 -1.79 116.25 117.95 1yev h VAL 70 Ca 0.29 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1yev h VAL 70 Cb 0.01 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1yev h VAL 70 CO -0.05 0.26 0.25 0.00 0.02 0.00 0.00 177.57 178.05 1yev h ALA 71 N 0.86 2.11 -1.27 1.67 0.00 -0.37 -2.06 119.26 120.20 1yev h ALA 71 Ca 0.08 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.41 1yev h ALA 71 Cb 0.35 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.74 1yev h ALA 71 CO 0.01 -0.40 -0.77 0.72 0.00 0.00 0.00 179.25 178.81 1yev n HIS 72 N -4.13 3.17 0.32 0.00 8.25 -0.56 -4.85 115.22 117.42 1yev n HIS 72 Ca 0.04 -2.83 0.20 0.00 -0.26 0.00 0.00 57.72 54.87 1yev n HIS 72 Cb 0.40 -0.17 1.10 0.00 1.12 0.00 0.00 29.99 32.45 1yev n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yev h VAL 73 N 2.48 0.18 -0.02 1.59 3.04 -0.58 -1.59 116.25 121.35 1yev h VAL 73 Ca 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1yev h VAL 73 Cb 1.12 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1yev h VAL 73 CO 0.81 0.00 -0.01 0.47 -1.01 0.00 0.00 177.57 177.83 1yev n ASP 74 N -3.33 1.65 -2.76 3.17 8.00 -1.26 -4.35 116.55 117.66 1yev n ASP 74 Ca -0.03 -1.53 -0.02 0.00 0.71 0.00 0.00 54.79 53.92 1yev n ASP 74 Cb 0.10 0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1yev n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yev n ASP 75 N 0.27 0.32 -0.25 -2.24 2.03 -0.62 -4.97 116.55 111.08 1yev n ASP 75 Ca 0.18 -2.18 -0.01 0.00 0.52 0.00 0.00 54.79 53.31 1yev n ASP 75 Cb 0.38 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.90 1yev n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yev h MET 76 N 2.06 0.71 -0.59 -0.67 2.86 -1.70 -0.39 114.93 117.21 1yev h MET 76 Ca -0.25 -0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1yev h MET 76 Cb 1.27 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1yev h MET 76 CO 0.07 0.47 0.41 -1.35 1.06 0.00 0.00 176.91 177.57 1yev h PRO 77 N 0.73 0.13 0.02 -0.22 0.11 -1.93 0.98 132.00 131.82 1yev h PRO 77 Ca 0.32 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 66.08 1yev h PRO 77 Cb 0.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.24 1yev h PRO 77 CO -0.19 0.09 -2.10 0.09 -0.21 0.00 0.00 178.00 175.68 1yev n ASN 78 N -4.41 0.93 0.19 -2.05 3.02 -0.80 -3.69 115.26 108.44 1yev n ASN 78 Ca 0.11 0.16 0.04 0.00 -0.03 0.00 0.00 54.58 54.86 1yev n ASN 78 Cb 0.57 0.13 0.38 0.00 -0.61 0.00 0.00 39.78 40.24 1yev n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yev h ALA 79 N 0.71 1.27 -0.59 5.41 0.00 -0.45 -3.05 119.26 122.57 1yev h ALA 79 Ca -0.44 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1yev h ALA 79 Cb 2.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1yev h ALA 79 CO 0.04 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1yev n LEU 80 N -3.93 4.51 -0.02 0.00 4.77 0.28 -4.71 117.00 117.90 1yev n LEU 80 Ca -0.02 -2.45 -0.09 0.00 -0.03 0.00 0.00 56.01 53.43 1yev n LEU 80 Cb 0.43 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1yev n LEU 80 CO 0.38 0.80 0.71 -1.28 -1.33 0.00 0.00 177.39 176.67 1yev h SER 81 N 3.70 -0.71 -0.48 -1.43 0.87 -1.61 0.96 113.55 114.85 1yev h SER 81 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1yev h SER 81 Cb 1.38 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 63.64 1yev h SER 81 CO 0.20 -0.27 0.31 0.00 -0.53 0.00 0.00 176.83 176.54 1yev h ALA 82 N 0.77 1.61 0.00 6.23 0.00 -1.85 -1.81 119.26 124.21 1yev h ALA 82 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1yev h ALA 82 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1yev h ALA 82 CO -0.34 0.35 -0.41 -0.07 0.00 0.00 0.00 179.25 178.78 1yev h LEU 83 N 0.67 0.00 -0.16 0.00 3.38 -1.32 -2.71 115.31 115.17 1yev h LEU 83 Ca 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1yev h LEU 83 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1yev h LEU 83 CO -0.04 0.41 -0.43 -1.28 0.09 0.00 0.00 178.44 177.20 1yev h SER 84 N 0.00 0.65 -0.38 -0.43 0.87 -0.25 -2.32 113.55 111.69 1yev h SER 84 Ca -0.00 -0.58 0.03 0.00 -1.23 0.00 0.00 61.79 60.00 1yev h SER 84 Cb 1.30 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1yev h SER 84 CO 0.05 1.12 0.19 0.44 -0.53 0.00 0.00 176.83 178.09 1yev h ASP 85 N 0.21 0.27 0.16 6.23 3.32 -1.29 -1.09 116.42 124.23 1yev h ASP 85 Ca -0.01 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1yev h ASP 85 Cb 1.04 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1yev h ASP 85 CO 0.09 0.20 -0.30 0.25 -1.72 0.00 0.00 179.24 177.76 1yev h LEU 86 N 0.38 -0.85 -0.09 1.55 6.46 -1.48 -0.32 115.31 120.96 1yev h LEU 86 Ca 0.16 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.89 1yev h LEU 86 Cb 0.08 0.31 0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1yev h LEU 86 CO -0.12 -0.40 -0.44 0.45 -0.62 0.00 0.00 178.44 177.31 1yev h HIS 87 N -0.55 0.61 0.00 1.25 3.86 -1.31 0.25 115.15 119.27 1yev h HIS 87 Ca 0.02 -0.27 -0.22 0.00 -1.16 0.00 0.00 60.37 58.74 1yev h HIS 87 Cb 0.56 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 1yev h HIS 87 CO -0.25 1.04 -1.16 0.00 0.86 0.00 0.00 177.93 178.42 1yev h ALA 88 N 0.45 0.53 0.00 2.45 0.00 -1.26 0.27 119.26 121.70 1yev h ALA 88 Ca -0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 54.91 53.81 1yev h ALA 88 Cb 1.09 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1yev h ALA 88 CO 0.09 1.24 -1.33 0.72 0.00 0.00 0.00 179.25 179.97 1yev n HIS 89 N -3.22 0.00 -0.09 0.00 8.25 -0.17 -4.15 115.22 115.84 1yev n HIS 89 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 1yev n HIS 89 Cb 0.94 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.75 1yev n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yev n LYS 90 N -2.11 0.52 0.03 -0.41 4.81 -0.95 -4.63 118.16 115.41 1yev n LYS 90 Ca -0.07 0.52 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1yev n LYS 90 Cb 0.59 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.80 1yev n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yev h LEU 91 N -1.00 0.17 -1.90 3.14 3.38 -0.60 -3.48 115.31 115.01 1yev h LEU 91 Ca -0.21 -0.26 -0.27 0.00 0.09 0.00 0.00 57.88 57.23 1yev h LEU 91 Cb 0.98 -0.05 0.15 0.00 0.09 0.00 0.00 40.66 41.83 1yev h LEU 91 CO -0.13 1.22 -0.69 0.54 0.09 0.00 0.00 178.44 179.47 1yev n ARG 92 N -3.29 -4.82 -2.70 1.13 1.74 0.85 -4.91 116.66 104.67 1yev n ARG 92 Ca -0.14 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.25 1yev n ARG 92 Cb 1.02 -5.38 -0.02 0.00 -1.02 0.00 0.00 32.46 27.06 1yev n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yev s VAL 93 N -3.32 4.66 0.18 1.55 1.01 -0.60 -4.99 120.40 118.90 1yev s VAL 93 Ca 0.10 1.87 -0.33 0.00 0.00 0.00 0.00 61.98 63.62 1yev s VAL 93 Cb -0.01 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1yev s VAL 93 CO 0.63 -0.24 1.63 -0.67 0.00 0.00 0.00 175.10 176.45 1yev n ASP 94 N 6.40 3.42 -0.37 3.32 -0.08 -1.26 -4.88 116.55 123.11 1yev n ASP 94 Ca 0.11 1.08 0.36 0.00 -1.51 0.00 0.00 54.79 54.82 1yev n ASP 94 Cb 0.47 -1.48 0.72 0.00 2.34 0.00 0.00 41.12 43.16 1yev n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yev h PRO 95 N 6.15 0.06 0.00 -0.67 0.11 -1.96 -0.76 132.00 134.92 1yev h PRO 95 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1yev h PRO 95 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yev h PRO 95 CO 0.91 0.04 -0.03 -0.39 -0.21 0.00 0.00 178.00 178.31 1yev h VAL 96 N 0.06 0.64 0.00 3.15 -1.51 -2.02 -1.81 116.25 114.75 1yev h VAL 96 Ca 0.62 -0.12 -0.06 0.00 -1.23 0.00 0.00 66.70 65.91 1yev h VAL 96 Cb 2.33 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 32.56 1yev h VAL 96 CO -0.07 0.03 -0.28 0.78 -1.23 0.00 0.00 177.57 176.80 1yev h ASN 97 N 0.00 0.00 -0.43 4.19 4.21 -1.49 -2.06 115.58 120.00 1yev h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1yev h ASN 97 Cb 0.07 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1yev h ASN 97 CO 0.00 0.28 -0.01 -0.26 -1.29 0.00 0.00 177.43 176.16 1yev h PHE 98 N 0.00 0.89 -0.59 1.19 -1.00 -1.50 -1.64 116.94 114.30 1yev h PHE 98 Ca -0.00 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.59 1yev h PHE 98 Cb 0.72 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 1yev h PHE 98 CO 0.00 0.82 0.16 0.87 -1.61 0.00 0.00 178.31 178.56 1yev h LYS 99 N 0.77 0.90 -0.31 1.51 1.57 -1.44 -0.26 116.57 119.32 1yev h LYS 99 Ca 0.15 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1yev h LYS 99 Cb 0.48 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1yev h LYS 99 CO 0.02 0.79 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.27 1yev h LEU 100 N 0.87 0.84 -0.60 2.94 3.38 -1.29 -1.25 115.31 120.20 1yev h LEU 100 Ca 0.19 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 1yev h LEU 100 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yev h LEU 100 CO -0.01 1.15 -0.29 0.25 0.09 0.00 0.00 178.44 179.64 1yev h LEU 101 N 0.54 0.83 -0.50 1.67 5.85 -1.05 -1.90 115.31 120.74 1yev h LEU 101 Ca 0.04 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1yev h LEU 101 Cb 0.94 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1yev h LEU 101 CO 0.09 1.06 0.22 0.28 -0.34 0.00 0.00 178.44 179.75 1yev h SER 102 N 0.68 0.68 -0.66 1.25 0.02 -0.95 -0.52 113.55 114.06 1yev h SER 102 Ca 0.08 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1yev h SER 102 Cb 0.83 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1yev h SER 102 CO 0.07 0.65 0.42 -0.74 -1.14 0.00 0.00 176.83 176.08 1yev h HIS 103 N 0.67 0.84 -0.07 3.45 -0.00 -1.00 -1.33 115.15 117.72 1yev h HIS 103 Ca 0.17 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1yev h HIS 103 Cb 0.17 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1yev h HIS 103 CO 0.00 0.55 -0.20 0.00 -0.00 0.00 0.00 177.93 178.29 1yev h LEU 105 N 0.11 0.93 -0.97 0.00 3.38 -0.59 -1.20 115.31 116.97 1yev h LEU 105 Ca 0.02 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1yev h LEU 105 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1yev h LEU 105 CO 0.03 1.24 0.23 -0.07 0.09 0.00 0.00 178.44 179.96 1yev h LEU 106 N 0.68 0.90 -0.43 1.67 3.38 -0.54 0.14 115.31 121.11 1yev h LEU 106 Ca 0.04 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1yev h LEU 106 Cb 1.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1yev h LEU 106 CO 0.11 0.83 -0.10 0.58 0.09 0.00 0.00 178.44 179.94 1yev h VAL 107 N 0.95 1.27 0.04 1.22 2.07 -0.96 -1.07 116.25 119.77 1yev h VAL 107 Ca 0.22 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1yev h VAL 107 Cb 0.23 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1yev h VAL 107 CO -0.01 0.41 -0.02 0.74 0.02 0.00 0.00 177.57 178.71 1yev h THR 108 N 0.66 1.00 -0.42 2.57 2.02 -0.76 -1.28 112.91 116.70 1yev h THR 108 Ca 0.11 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1yev h THR 108 Cb 0.63 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1yev h THR 108 CO 0.04 0.03 0.24 -0.07 0.37 0.00 0.00 175.52 176.14 1yev h LEU 109 N -0.11 0.39 -1.10 2.58 3.38 -0.64 -2.51 115.31 117.30 1yev h LEU 109 Ca -0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1yev h LEU 109 Cb 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1yev h LEU 109 CO 0.01 0.28 0.61 0.00 0.09 0.00 0.00 178.44 179.43 1yev h ALA 110 N 1.19 1.44 0.00 1.53 0.00 -1.00 0.75 119.26 123.17 1yev h ALA 110 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1yev h ALA 110 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1yev h ALA 110 CO -0.08 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 1yev h ALA 111 N 1.47 1.06 0.00 0.00 0.00 -0.83 -3.29 119.26 117.67 1yev h ALA 111 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1yev h ALA 111 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yev h ALA 111 CO -0.13 0.16 -1.08 0.72 0.00 0.00 0.00 179.25 178.92 1yev n HIS 112 N -3.33 0.00 -2.96 0.00 -0.00 -0.64 -4.80 115.22 103.49 1yev n HIS 112 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1yev n HIS 112 Cb 0.35 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 30.17 1yev n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yev n LEU 113 N -1.61 3.84 -0.24 2.41 4.32 0.25 -4.94 117.00 121.03 1yev n LEU 113 Ca -0.01 -5.53 0.03 0.00 -0.02 0.00 0.00 56.01 50.48 1yev n LEU 113 Cb 0.18 -0.32 0.13 0.00 -1.62 0.00 0.00 43.42 41.79 1yev n LEU 113 CO 0.16 2.34 0.82 -0.65 -1.22 0.00 0.00 177.39 178.84 1yev h PRO 114 N 2.97 0.10 0.00 3.23 0.11 -1.81 -0.68 132.00 135.92 1yev h PRO 114 Ca 0.13 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1yev h PRO 114 Cb 0.61 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1yev h PRO 114 CO 0.76 0.07 -1.00 0.00 -0.21 0.00 0.00 178.00 177.62 1yev h ALA 115 N 1.66 0.65 0.00 -0.75 0.00 -1.94 -3.32 119.26 115.56 1yev h ALA 115 Ca 0.38 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yev h ALA 115 Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1yev h ALA 115 CO -0.62 0.69 -1.04 -0.85 0.00 0.00 0.00 179.25 177.43 1yev n GLU 116 N -3.00 0.38 -1.96 0.00 0.00 -1.00 -4.62 120.64 110.44 1yev n GLU 116 Ca -0.04 0.02 -0.41 0.00 0.00 0.00 0.00 57.16 56.73 1yev n GLU 116 Cb 0.76 -1.65 -0.00 0.00 0.00 0.00 0.00 31.44 30.55 1yev n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yev n PHE 117 N -2.14 2.90 -2.14 -1.84 7.35 -0.29 -4.79 117.46 116.50 1yev n PHE 117 Ca 0.01 -2.88 -0.27 0.00 -0.76 0.00 0.00 57.45 53.55 1yev n PHE 117 Cb 0.47 -2.14 0.07 0.00 0.35 0.00 0.00 39.48 38.23 1yev n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yev s THR 118 N 0.89 2.28 0.17 -2.13 -4.23 -1.26 -4.79 115.64 106.57 1yev s THR 118 Ca 0.49 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1yev s THR 118 Cb 0.14 -3.02 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1yev s THR 118 CO -0.05 -0.03 1.60 -0.65 -0.54 0.00 0.00 174.62 174.95 1yev h PRO 119 N -0.68 -0.22 -0.92 3.99 0.11 -1.99 -0.38 132.00 131.92 1yev h PRO 119 Ca -0.45 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1yev h PRO 119 Cb 1.32 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.42 1yev h PRO 119 CO 0.62 -0.15 0.58 0.00 -0.21 0.00 0.00 178.00 178.85 1yev h ALA 120 N 0.83 1.24 -0.12 -0.75 0.00 -1.97 -1.22 119.26 117.28 1yev h ALA 120 Ca 0.19 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1yev h ALA 120 Cb 0.53 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yev h ALA 120 CO -0.56 0.39 -0.78 0.28 0.00 0.00 0.00 179.25 178.57 1yev h VAL 121 N 1.09 1.31 -0.73 0.00 2.07 -1.77 -2.41 116.25 115.81 1yev h VAL 121 Ca 0.39 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.88 1yev h VAL 121 Cb 0.10 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1yev h VAL 121 CO -0.15 0.64 0.47 -0.74 0.02 0.00 0.00 177.57 177.80 1yev h HIS 122 N 0.45 0.88 -0.46 1.57 6.17 -0.75 0.21 115.15 123.23 1yev h HIS 122 Ca -0.05 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 60.98 1yev h HIS 122 Cb 1.40 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 31.02 1yev h HIS 122 CO 0.07 0.52 -0.02 0.00 0.71 0.00 0.00 177.93 179.21 1yev h ALA 123 N 1.30 1.10 -0.21 5.26 0.00 -1.10 -2.33 119.26 123.27 1yev h ALA 123 Ca 0.29 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yev h ALA 123 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1yev h ALA 123 CO -0.09 0.57 -0.16 0.77 0.00 0.00 0.00 179.25 180.34 1yev h SER 124 N 0.72 0.50 -0.58 0.00 0.02 -0.90 -2.37 113.55 110.93 1yev h SER 124 Ca 0.14 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1yev h SER 124 Cb 0.47 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1yev h SER 124 CO 0.02 0.84 0.30 -0.07 -1.14 0.00 0.00 176.83 176.78 1yev h LEU 125 N 0.17 0.76 -0.47 5.07 3.38 -0.89 -0.04 115.31 123.29 1yev h LEU 125 Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1yev h LEU 125 Cb 0.68 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1yev h LEU 125 CO 0.04 0.65 -0.04 -0.78 0.09 0.00 0.00 178.44 178.40 1yev h ASP 126 N 0.85 0.85 -0.38 -0.43 3.58 -1.34 0.22 116.42 119.77 1yev h ASP 126 Ca 0.21 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 1yev h ASP 126 Cb 0.08 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1yev h ASP 126 CO -0.03 0.97 -0.06 0.11 -2.88 0.00 0.00 179.24 177.36 1yev h LYS 127 N 0.70 0.71 -0.51 0.28 1.57 -1.01 -1.78 116.57 116.53 1yev h LYS 127 Ca 0.13 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1yev h LYS 127 Cb 0.56 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1yev h LYS 127 CO 0.03 0.84 0.32 0.35 -0.57 0.00 0.00 179.45 180.42 1yev h PHE 128 N 0.52 0.60 0.00 -1.35 3.57 -0.66 -1.01 116.94 118.61 1yev h PHE 128 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1yev h PHE 128 Cb 0.56 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1yev h PHE 128 CO 0.05 0.36 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.21 1yev h LEU 129 N 0.64 0.00 -0.22 0.59 3.38 -0.33 0.66 115.31 120.02 1yev h LEU 129 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1yev h LEU 129 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1yev h LEU 129 CO -0.07 0.20 -0.42 0.00 0.09 0.00 0.00 178.44 178.23 1yev h ALA 130 N 1.80 0.35 -0.63 1.53 0.00 -0.86 -0.67 119.26 120.78 1yev h ALA 130 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1yev h ALA 130 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1yev h ALA 130 CO 0.03 0.47 0.14 0.77 0.00 0.00 0.00 179.25 180.66 1yev h SER 131 N 0.39 0.97 -0.60 0.00 0.02 -0.39 0.09 113.55 114.03 1yev h SER 131 Ca 0.01 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 1yev h SER 131 Cb 1.02 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1yev h SER 131 CO 0.09 0.96 0.14 0.58 -1.14 0.00 0.00 176.83 177.46 1yev h VAL 132 N 0.93 1.25 -0.38 2.27 2.07 -0.76 -2.28 116.25 119.36 1yev h VAL 132 Ca 0.20 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1yev h VAL 132 Cb 0.38 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1yev h VAL 132 CO 0.00 0.35 -0.22 0.28 0.02 0.00 0.00 177.57 178.01 1yev h SER 133 N 0.95 0.76 -0.52 0.57 0.02 -0.49 -1.94 113.55 112.90 1yev h SER 133 Ca 0.20 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1yev h SER 133 Cb 0.36 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1yev h SER 133 CO 0.00 0.96 0.10 0.74 -1.14 0.00 0.00 176.83 177.49 1yev h THR 134 N 0.66 1.25 -0.49 -2.27 2.02 -0.86 -2.06 112.91 111.15 1yev h THR 134 Ca 0.09 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1yev h THR 134 Cb 0.72 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1yev h THR 134 CO 0.06 0.33 0.18 0.58 0.37 0.00 0.00 175.52 177.03 1yev h VAL 135 N 0.74 1.22 0.00 3.16 2.07 -1.15 -2.66 116.25 119.63 1yev h VAL 135 Ca 0.16 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1yev h VAL 135 Cb 0.38 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1yev h VAL 135 CO 0.01 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1yev n LEU 136 N -4.54 0.55 -0.26 2.57 4.77 -0.75 -2.97 117.00 116.37 1yev n LEU 136 Ca 0.02 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 1yev n LEU 136 Cb 0.17 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1yev n LEU 136 CO 0.38 -0.39 0.23 0.41 -1.33 0.00 0.00 177.39 176.69 1yev n THR 137 N -2.08 0.00 1.81 -5.08 -1.04 -0.79 -3.62 114.28 103.47 1yev n THR 137 Ca 0.03 -0.38 0.15 0.00 -2.04 0.00 0.00 64.05 61.81 1yev n THR 137 Cb 0.27 1.14 0.79 0.00 -1.82 0.00 0.00 70.33 70.71 1yev n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89