#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yih n HIS 2 N 0.00 3.26 -3.16 2.03 -0.00 -1.26 -4.95 115.22 111.14 1yih n HIS 2 Ca 0.00 -2.92 -0.42 0.00 -0.00 0.00 0.00 57.72 54.39 1yih n HIS 2 Cb 0.00 -1.76 -0.07 0.00 -0.00 0.00 0.00 29.99 28.16 1yih n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1yih s LEU 3 N -0.78 4.30 0.52 0.27 2.96 -1.26 -5.03 118.68 119.67 1yih s LEU 3 Ca 0.37 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 1yih s LEU 3 Cb 0.05 -2.71 -0.08 0.00 0.50 0.00 0.00 46.19 43.95 1yih s LEU 3 CO 0.03 -0.56 0.99 0.42 -1.32 0.00 0.00 176.35 175.91 1yih s THR 4 N 2.60 4.42 0.33 3.68 -4.23 -1.26 -4.81 115.64 116.37 1yih s THR 4 Ca 0.22 1.19 0.08 0.00 -1.18 0.00 0.00 61.69 62.01 1yih s THR 4 Cb -0.15 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.41 1yih s THR 4 CO 0.14 -0.63 1.58 -0.65 -0.54 0.00 0.00 174.62 174.52 1yih h PRO 5 N 0.94 0.02 -0.05 3.99 0.11 -1.99 0.62 132.00 135.65 1yih h PRO 5 Ca -0.47 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1yih h PRO 5 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1yih h PRO 5 CO 0.61 0.02 -0.46 1.05 -0.21 0.00 0.00 178.00 179.00 1yih h GLU 6 N 0.03 0.13 -0.18 1.05 9.09 -1.99 -1.31 114.58 121.40 1yih h GLU 6 Ca 0.68 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.89 1yih h GLU 6 Cb 1.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.67 1yih h GLU 6 CO -0.85 0.57 -0.43 0.93 0.05 0.00 0.00 179.01 179.28 1yih h GLU 7 N 0.10 0.61 -0.41 1.06 5.08 -0.15 -2.72 114.58 118.15 1yih h GLU 7 Ca 0.00 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1yih h GLU 7 Cb 0.86 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1yih h GLU 7 CO 0.07 1.03 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.84 1yih h LYS 8 N 0.27 0.67 -0.39 2.33 3.64 -1.07 0.28 116.57 122.31 1yih h LYS 8 Ca -0.00 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1yih h LYS 8 Cb 1.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1yih h LYS 8 CO 0.09 0.72 -0.23 0.66 -2.27 0.00 0.00 179.45 178.43 1yih h SER 9 N 0.63 0.87 -0.66 4.20 4.64 -1.24 -2.66 113.55 119.33 1yih h SER 9 Ca 0.12 -0.42 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1yih h SER 9 Cb 0.46 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1yih h SER 9 CO 0.02 1.10 0.28 0.00 -0.87 0.00 0.00 176.83 177.36 1yih h ALA 10 N 0.80 0.86 0.14 5.18 0.00 -1.16 -0.23 119.26 124.85 1yih h ALA 10 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1yih h ALA 10 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yih h ALA 10 CO 0.06 0.46 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 1yih h VAL 11 N 0.93 0.98 -0.46 0.00 2.07 -0.88 -3.14 116.25 115.75 1yih h VAL 11 Ca 0.22 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1yih h VAL 11 Cb 0.18 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1yih h VAL 11 CO -0.02 0.13 0.20 0.74 0.02 0.00 0.00 177.57 178.65 1yih h THR 12 N -0.46 1.19 -0.73 2.57 2.02 -1.48 -1.43 112.91 114.59 1yih h THR 12 Ca -0.02 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1yih h THR 12 Cb 0.37 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1yih h THR 12 CO 0.03 0.22 0.48 0.00 0.37 0.00 0.00 175.52 176.62 1yih h ALA 13 N 1.05 0.93 -0.24 6.16 0.00 -1.11 -2.44 119.26 123.62 1yih h ALA 13 Ca 0.16 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1yih h ALA 13 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1yih h ALA 13 CO -0.02 0.34 -0.53 1.25 0.00 0.00 0.00 179.25 180.28 1yih h LEU 14 N 0.98 0.89 -2.86 0.00 5.85 -1.49 -2.90 115.31 115.78 1yih h LEU 14 Ca 0.27 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1yih h LEU 14 Cb -0.10 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.68 1yih h LEU 14 CO -0.07 1.28 0.03 -0.25 -0.34 0.00 0.00 178.44 179.10 1yih h TRP 15 N 0.54 0.00 -0.29 1.25 2.91 -0.92 -0.76 115.95 118.68 1yih h TRP 15 Ca 0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 1yih h TRP 15 Cb 1.15 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 1yih h TRP 15 CO 0.08 0.00 -0.02 0.78 -1.03 0.00 0.00 178.44 178.25 1yih h GLY 16 N 0.00 0.47 0.99 2.65 0.00 -1.23 -3.03 103.07 102.93 1yih h GLY 16 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yih h GLY 16 CO -0.00 0.26 -0.37 0.28 0.00 0.00 0.00 176.54 176.70 1yih n LYS 17 N -4.29 0.18 -2.60 4.80 5.02 -0.29 -4.95 118.16 116.02 1yih n LYS 17 Ca 0.01 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 1yih n LYS 17 Cb 0.24 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1yih n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yih s VAL 18 N -2.88 3.88 -0.81 -0.18 1.01 -1.15 -5.00 120.40 115.26 1yih s VAL 18 Ca 0.15 1.79 -0.15 0.00 0.00 0.00 0.00 61.98 63.76 1yih s VAL 18 Cb 0.18 -4.14 0.19 0.00 0.00 0.00 0.00 36.38 32.62 1yih s VAL 18 CO 0.63 0.38 0.79 0.21 0.00 0.00 0.00 175.10 177.12 1yih s ASN 19 N -0.72 6.67 0.48 3.32 3.84 -1.26 -4.91 114.94 122.36 1yih s ASN 19 Ca 0.45 -2.47 0.22 0.00 0.21 0.00 0.00 52.86 51.27 1yih s ASN 19 Cb -0.28 -2.24 1.26 0.00 -0.55 0.00 0.00 41.25 39.43 1yih s ASN 19 CO 0.35 -0.69 1.93 1.62 -2.79 0.00 0.00 177.10 177.52 1yih h VAL 20 N 5.07 0.70 -0.04 -5.21 3.04 -1.95 -1.61 116.25 116.26 1yih h VAL 20 Ca 0.06 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 1yih h VAL 20 Cb 1.05 0.49 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 1yih h VAL 20 CO 0.84 0.04 -0.33 0.44 -1.01 0.00 0.00 177.57 177.54 1yih h ASP 21 N 0.19 -1.04 0.09 3.17 3.32 -1.91 -2.15 116.42 118.10 1yih h ASP 21 Ca 0.36 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 1yih h ASP 21 Cb 1.14 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1yih h ASP 21 CO -0.07 -0.31 -0.13 -0.08 -1.72 0.00 0.00 179.24 176.93 1yih h GLU 22 N -0.39 -0.23 -0.59 3.56 4.81 -1.72 -3.19 114.58 116.83 1yih h GLU 22 Ca 0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1yih h GLU 22 Cb 0.43 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1yih h GLU 22 CO -0.24 -0.15 0.40 0.28 -0.73 0.00 0.00 179.01 178.56 1yih h VAL 23 N -0.24 0.88 0.02 0.32 2.07 -1.41 -2.43 116.25 115.47 1yih h VAL 23 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1yih h VAL 23 Cb 0.22 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1yih h VAL 23 CO -0.04 0.07 -0.01 1.23 0.02 0.00 0.00 177.57 178.84 1yih h GLY 24 N 0.37 -0.03 1.65 2.17 0.00 -1.39 -1.10 103.07 104.73 1yih h GLY 24 Ca 0.27 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1yih h GLY 24 CO -0.07 -0.01 -0.36 -1.33 0.00 0.00 0.00 176.54 174.76 1yih h GLY 25 N -0.11 0.43 0.97 4.60 0.00 -1.50 -2.09 103.07 105.37 1yih h GLY 25 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1yih h GLY 25 CO 0.01 0.36 -0.30 0.83 0.00 0.00 0.00 176.54 177.44 1yih h GLU 26 N 0.34 0.70 -0.23 4.80 4.39 -1.34 -0.41 114.58 122.82 1yih h GLU 26 Ca 0.04 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 1yih h GLU 26 Cb 0.80 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1yih h GLU 26 CO 0.06 0.99 -0.05 0.00 -1.16 0.00 0.00 179.01 178.85 1yih h ALA 27 N 0.69 0.31 -0.40 3.43 0.00 -1.13 0.35 119.26 122.52 1yih h ALA 27 Ca 0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1yih h ALA 27 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1yih h ALA 27 CO 0.07 0.10 0.00 1.25 0.00 0.00 0.00 179.25 180.68 1yih h LEU 28 N 0.17 0.69 -0.09 0.00 5.85 -1.41 -2.05 115.31 118.47 1yih h LEU 28 Ca 0.06 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1yih h LEU 28 Cb 0.50 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1yih h LEU 28 CO 0.02 0.83 0.04 1.23 -0.34 0.00 0.00 178.44 180.22 1yih h GLY 29 N 0.53 0.14 0.69 3.75 0.00 -1.04 -2.64 103.07 104.51 1yih h GLY 29 Ca 0.11 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.47 1yih h GLY 29 CO 0.02 0.07 0.59 3.21 0.00 0.00 0.00 176.54 180.43 1yih h ARG 30 N 0.00 0.91 0.02 4.80 3.08 -0.89 -1.14 114.38 121.16 1yih h ARG 30 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1yih h ARG 30 Cb 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1yih h ARG 30 CO -0.00 0.60 -0.08 1.25 -1.07 0.00 0.00 179.97 180.66 1yih h LEU 31 N 0.93 -0.24 -1.68 3.04 5.85 -1.11 0.27 115.31 122.38 1yih h LEU 31 Ca 0.43 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.14 1yih h LEU 31 Cb 0.39 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1yih h LEU 31 CO -0.19 -0.13 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.53 1yih h LEU 32 N -0.15 0.00 0.00 2.25 3.38 -0.90 -1.35 115.31 118.53 1yih h LEU 32 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1yih h LEU 32 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yih h LEU 32 CO -0.08 0.19 -0.45 0.58 0.09 0.00 0.00 178.44 178.78 1yih h VAL 33 N 0.00 0.96 -0.50 1.22 2.07 -0.91 -3.29 116.25 115.80 1yih h VAL 33 Ca -0.00 -1.87 -0.13 0.00 0.82 0.00 0.00 66.70 65.52 1yih h VAL 33 Cb 0.39 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1yih h VAL 33 CO 0.02 0.33 -0.18 0.58 0.02 0.00 0.00 177.57 178.34 1yih h VAL 34 N -1.00 1.27 -2.96 2.57 2.07 -0.45 -3.35 116.25 114.40 1yih h VAL 34 Ca -0.11 -1.34 -0.62 0.00 0.82 0.00 0.00 66.70 65.46 1yih h VAL 34 Cb 0.84 1.08 -0.42 0.00 -1.52 0.00 0.00 31.29 31.27 1yih h VAL 34 CO -0.06 0.47 -0.62 -1.22 0.02 0.00 0.00 177.57 176.16 1yih n TYR 35 N -4.13 2.82 0.17 1.57 4.01 -0.52 -4.98 117.16 116.10 1yih n TYR 35 Ca 0.00 -4.20 0.17 0.00 -0.16 0.00 0.00 57.90 53.72 1yih n TYR 35 Cb 0.44 -0.53 0.78 0.00 -0.31 0.00 0.00 39.34 39.73 1yih n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1yih h PRO 36 N 5.34 0.00 0.00 -0.72 0.13 -1.71 -1.58 132.00 133.47 1yih h PRO 36 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1yih h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1yih h PRO 36 CO 0.69 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.53 1yih h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.47 115.95 114.21 1yih h TRP 37 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.09 1yih h TRP 37 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.80 1yih h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1yih n THR 38 N -3.34 0.97 0.38 0.12 -2.24 -0.59 -2.54 114.28 107.04 1yih n THR 38 Ca -0.02 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1yih n THR 38 Cb 0.16 -1.05 0.47 0.00 -2.10 0.00 0.00 70.33 67.81 1yih n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yih n GLN 39 N -1.71 0.16 -0.02 -0.78 6.02 -0.55 -3.12 117.38 117.39 1yih n GLN 39 Ca 0.03 0.43 0.19 0.00 -0.01 0.00 0.00 57.00 57.64 1yih n GLN 39 Cb 0.18 -1.83 0.66 0.00 1.02 0.00 0.00 30.24 30.27 1yih n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1yih h ARG 40 N 0.00 0.07 0.00 -1.09 0.11 -1.72 -1.14 114.38 110.62 1yih h ARG 40 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yih h ARG 40 Cb 0.31 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1yih h ARG 40 CO 0.00 0.04 -0.25 0.74 0.10 0.00 0.00 179.97 180.61 1yih h PHE 41 N 0.07 0.00 -0.76 4.08 -1.00 -1.82 -3.39 116.94 114.12 1yih h PHE 41 Ca 0.26 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.54 1yih h PHE 41 Cb 0.96 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 40.09 1yih h PHE 41 CO -0.00 0.00 -0.86 1.19 -1.61 0.00 0.00 178.31 177.03 1yih n PHE 42 N -2.81 2.57 0.71 -0.55 3.01 -0.43 -4.80 117.46 115.16 1yih n PHE 42 Ca 0.03 -2.27 0.08 0.00 1.01 0.00 0.00 57.45 56.30 1yih n PHE 42 Cb 0.51 -0.31 0.39 0.00 -0.01 0.00 0.00 39.48 40.06 1yih n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1yih n GLU 43 N -0.67 0.18 0.00 -1.08 0.28 -1.24 -1.64 120.64 116.47 1yih n GLU 43 Ca 0.38 0.15 0.12 0.00 -0.16 0.00 0.00 57.16 57.66 1yih n GLU 43 Cb 0.92 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.57 1yih n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1yih n SER 44 N -1.33 1.08 -0.02 -1.84 3.41 -1.26 -4.02 113.62 109.63 1yih n SER 44 Ca 0.07 -0.88 0.15 0.00 -0.26 0.00 0.00 58.87 57.95 1yih n SER 44 Cb 0.14 0.25 0.71 0.00 -0.26 0.00 0.00 64.21 65.05 1yih n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yih n PHE 45 N -0.75 0.00 -0.64 7.33 0.99 -0.65 -5.03 117.46 118.71 1yih n PHE 45 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1yih n PHE 45 Cb 0.36 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 1yih n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yih n GLY 46 N 1.30 0.54 3.66 1.37 0.00 -1.26 -4.79 105.19 106.01 1yih n GLY 46 Ca 0.14 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1yih n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yih s ASP 47 N -4.00 6.87 -0.06 1.61 3.68 -1.26 -4.88 116.67 118.63 1yih s ASP 47 Ca 0.00 1.83 0.09 0.00 2.13 0.00 0.00 52.55 56.60 1yih s ASP 47 Cb 0.00 -2.54 0.13 0.00 -1.45 0.00 0.00 42.92 39.07 1yih s ASP 47 CO 0.00 -0.81 1.03 0.18 0.13 0.00 0.00 175.17 175.70 1yih n LEU 48 N 6.77 1.32 0.25 -1.34 4.77 -1.26 -4.18 117.00 123.33 1yih n LEU 48 Ca 0.15 -2.00 0.09 0.00 -0.03 0.00 0.00 56.01 54.21 1yih n LEU 48 Cb 0.44 -0.20 0.64 0.00 -2.33 0.00 0.00 43.42 41.98 1yih n LEU 48 CO 0.58 0.47 0.99 0.77 -1.33 0.00 0.00 177.39 178.87 1yih h SER 49 N 0.00 0.00 -5.19 -1.43 4.64 -1.90 -3.43 113.55 106.24 1yih h SER 49 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1yih h SER 49 Cb 1.08 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.02 1yih h SER 49 CO 0.00 0.10 -0.63 0.42 -0.87 0.00 0.00 176.83 175.85 1yih s THR 50 N -4.65 0.22 0.16 2.95 -4.23 -1.26 -5.01 115.64 103.83 1yih s THR 50 Ca -0.04 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 1yih s THR 50 Cb 0.15 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1yih s THR 50 CO 0.65 -0.18 1.72 -0.65 -0.54 0.00 0.00 174.62 175.61 1yih h PRO 51 N 2.65 0.17 -0.68 3.99 0.11 -1.99 0.17 132.00 136.41 1yih h PRO 51 Ca -0.36 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1yih h PRO 51 Cb 1.23 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1yih h PRO 51 CO 0.57 0.11 0.27 -0.44 -0.21 0.00 0.00 178.00 178.30 1yih h ASP 52 N 0.17 0.94 -0.59 -2.05 3.32 -1.97 0.14 116.42 116.39 1yih h ASP 52 Ca 0.18 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1yih h ASP 52 Cb 0.22 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1yih h ASP 52 CO -0.25 0.86 0.39 0.00 -1.72 0.00 0.00 179.24 178.52 1yih h ALA 53 N 1.12 1.62 0.05 3.45 0.00 -1.59 -1.69 119.26 122.22 1yih h ALA 53 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1yih h ALA 53 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1yih h ALA 53 CO -0.02 0.34 -0.02 0.28 0.00 0.00 0.00 179.25 179.82 1yih h VAL 54 N 0.76 0.80 -0.31 0.00 2.07 0.56 -3.14 116.25 116.98 1yih h VAL 54 Ca 0.22 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1yih h VAL 54 Cb -0.03 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1yih h VAL 54 CO -0.05 0.26 0.17 0.24 0.02 0.00 0.00 177.57 178.20 1yih h MET 55 N -0.97 0.42 -0.02 1.57 2.07 -0.76 -2.95 114.93 114.29 1yih h MET 55 Ca -0.01 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1yih h MET 55 Cb 0.47 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1yih h MET 55 CO 0.01 0.32 -0.21 0.41 1.07 0.00 0.00 176.91 178.51 1yih n GLY 56 N -1.38 0.29 3.64 8.32 0.00 -0.64 -4.82 105.19 110.59 1yih n GLY 56 Ca 0.02 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1yih n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yih s ASN 57 N -2.24 6.21 0.47 1.61 3.84 -1.12 -4.85 114.94 118.86 1yih s ASN 57 Ca 0.25 2.18 0.18 0.00 0.21 0.00 0.00 52.86 55.68 1yih s ASN 57 Cb 0.19 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.53 1yih s ASN 57 CO 0.43 -1.31 1.98 1.55 -2.79 0.00 0.00 177.10 176.96 1yih h PRO 58 N 11.62 0.25 -0.27 0.43 0.13 -1.91 -0.82 132.00 141.43 1yih h PRO 58 Ca -0.42 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1yih h PRO 58 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1yih h PRO 58 CO 0.96 0.16 -0.22 0.87 -0.23 0.00 0.00 178.00 179.55 1yih h LYS 59 N 0.25 0.62 -0.59 0.86 1.57 -1.89 -0.91 116.57 116.49 1yih h LYS 59 Ca 0.27 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1yih h LYS 59 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1yih h LYS 59 CO -0.06 0.90 0.06 0.28 -0.57 0.00 0.00 179.45 180.06 1yih h VAL 60 N 0.34 1.26 -0.61 0.50 2.07 -1.65 -0.21 116.25 117.95 1yih h VAL 60 Ca 0.05 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1yih h VAL 60 Cb 0.77 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1yih h VAL 60 CO 0.06 0.39 0.27 0.11 0.02 0.00 0.00 177.57 178.41 1yih h LYS 61 N 0.91 0.89 -0.15 1.57 1.57 -1.07 0.13 116.57 120.43 1yih h LYS 61 Ca 0.18 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1yih h LYS 61 Cb 0.48 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1yih h LYS 61 CO 0.02 0.74 -0.71 0.00 -0.57 0.00 0.00 179.45 178.93 1yih h ALA 62 N 1.11 0.48 -0.27 3.86 0.00 -1.06 -2.99 119.26 120.39 1yih h ALA 62 Ca 0.21 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1yih h ALA 62 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1yih h ALA 62 CO -0.02 0.71 -0.09 1.25 0.00 0.00 0.00 179.25 181.10 1yih h HIS 63 N 0.45 0.61 -0.92 0.00 -0.00 -0.86 -3.04 115.15 111.38 1yih h HIS 63 Ca -0.03 -0.14 0.13 0.00 -0.00 0.00 0.00 60.37 60.33 1yih h HIS 63 Cb 1.31 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 28.48 1yih h HIS 63 CO 0.06 0.76 0.54 0.78 -0.00 0.00 0.00 177.93 180.08 1yih h GLY 64 N 0.28 1.51 1.32 5.26 0.00 -0.74 -1.86 103.07 108.84 1yih h GLY 64 Ca 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1yih h GLY 64 CO 0.03 0.06 -0.05 1.70 0.00 0.00 0.00 176.54 178.29 1yih h LYS 65 N 0.81 0.82 -0.06 4.80 3.64 -1.45 -1.32 116.57 123.81 1yih h LYS 65 Ca 0.48 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1yih h LYS 65 Cb 0.57 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1yih h LYS 65 CO -0.31 0.85 0.03 -0.22 -2.27 0.00 0.00 179.45 177.54 1yih h LYS 66 N 0.75 0.09 -0.49 1.90 3.64 -1.28 -1.00 116.57 120.18 1yih h LYS 66 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1yih h LYS 66 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1yih h LYS 66 CO 0.03 0.15 0.31 0.28 -2.27 0.00 0.00 179.45 177.95 1yih h VAL 67 N 0.01 1.14 0.00 2.00 2.07 -1.14 -1.64 116.25 118.69 1yih h VAL 67 Ca 0.02 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1yih h VAL 67 Cb 0.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1yih h VAL 67 CO -0.00 0.14 -0.58 -0.07 0.02 0.00 0.00 177.57 177.08 1yih h LEU 68 N 0.66 0.00 -0.26 2.57 -0.00 -1.11 -1.04 115.31 116.13 1yih h LEU 68 Ca 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 1yih h LEU 68 Cb -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1yih h LEU 68 CO -0.04 0.58 -0.03 1.23 -0.00 0.00 0.00 178.44 180.18 1yih h GLY 69 N 1.99 0.53 1.04 0.83 0.00 -0.98 0.38 103.07 106.85 1yih h GLY 69 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1yih h GLY 69 CO 0.07 0.38 0.33 0.00 0.00 0.00 0.00 176.54 177.32 1yih h ALA 70 N 0.79 1.03 -0.47 3.60 0.00 -1.06 -2.56 119.26 120.60 1yih h ALA 70 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yih h ALA 70 Cb 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1yih h ALA 70 CO 0.02 0.65 0.02 0.35 0.00 0.00 0.00 179.25 180.29 1yih h PHE 71 N 1.15 0.88 -0.76 0.00 3.57 -0.89 -2.76 116.94 118.13 1yih h PHE 71 Ca 0.27 -0.14 0.11 0.00 3.53 0.00 0.00 57.97 61.73 1yih h PHE 71 Cb 0.20 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 1yih h PHE 71 CO 0.02 0.84 0.39 0.77 -2.23 0.00 0.00 178.31 178.09 1yih h SER 72 N 0.67 0.50 -0.66 0.41 0.02 0.03 -1.52 113.55 113.00 1yih h SER 72 Ca 0.14 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1yih h SER 72 Cb 0.47 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1yih h SER 72 CO 0.02 0.27 0.19 0.44 -1.14 0.00 0.00 176.83 176.60 1yih h ASP 73 N 0.63 0.99 0.04 3.07 5.19 -1.28 -2.44 116.42 122.62 1yih h ASP 73 Ca 0.38 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1yih h ASP 73 Cb 0.44 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1yih h ASP 73 CO -0.29 0.94 -0.16 1.23 -3.12 0.00 0.00 179.24 177.84 1yih h GLY 74 N 1.07 0.27 2.00 2.75 0.00 -1.01 -1.80 103.07 106.35 1yih h GLY 74 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1yih h GLY 74 CO -0.00 0.16 0.00 1.41 0.00 0.00 0.00 176.54 178.11 1yih h LEU 75 N 0.24 0.00 -0.14 3.11 3.38 -0.91 -2.25 115.31 118.73 1yih h LEU 75 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yih h LEU 75 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1yih h LEU 75 CO 0.03 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.04 1yih n ALA 76 N -1.80 3.63 -2.59 1.53 0.00 -0.69 -4.27 120.51 116.32 1yih n ALA 76 Ca 0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1yih n ALA 76 Cb 0.31 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1yih n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yih n HIS 77 N -1.26 1.83 0.33 0.00 8.25 -0.87 -4.92 115.22 118.57 1yih n HIS 77 Ca 0.07 -2.63 0.17 0.00 -0.26 0.00 0.00 57.72 55.07 1yih n HIS 77 Cb 0.34 -0.28 0.92 0.00 1.12 0.00 0.00 29.99 32.09 1yih n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yih h LEU 78 N 2.72 0.00 -0.27 2.41 4.07 -1.68 0.33 115.31 122.88 1yih h LEU 78 Ca 0.03 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.78 1yih h LEU 78 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1yih h LEU 78 CO 0.52 0.00 -0.86 -0.78 -1.08 0.00 0.00 178.44 176.25 1yih h ASP 79 N 0.00 0.46 -2.02 -0.43 -0.00 -1.91 -3.39 116.42 109.13 1yih h ASP 79 Ca 0.00 -0.35 -0.53 0.00 -0.00 0.00 0.00 57.03 56.15 1yih h ASP 79 Cb 0.45 -0.14 -0.40 0.00 -0.00 0.00 0.00 39.33 39.25 1yih h ASP 79 CO 0.00 1.13 -1.11 -3.20 -0.00 0.00 0.00 179.24 176.06 1yih n ASN 80 N -3.76 0.81 -0.15 2.28 5.15 0.11 -4.95 115.26 114.75 1yih n ASN 80 Ca -0.05 -2.91 -0.11 0.00 -0.60 0.00 0.00 54.58 50.91 1yih n ASN 80 Cb 0.79 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.40 1yih n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yih h LEU 81 N 3.53 0.85 -0.39 1.20 3.38 -1.76 -1.26 115.31 120.86 1yih h LEU 81 Ca 0.09 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1yih h LEU 81 Cb 0.89 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1yih h LEU 81 CO 0.51 1.02 0.23 0.11 0.09 0.00 0.00 178.44 180.39 1yih h LYS 82 N 0.67 0.45 -0.22 1.13 1.79 -1.92 0.62 116.57 119.08 1yih h LYS 82 Ca 0.11 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 1yih h LYS 82 Cb 0.65 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1yih h LYS 82 CO 0.04 0.30 -0.29 0.78 -1.08 0.00 0.00 179.45 179.20 1yih h GLY 83 N 0.46 0.65 0.43 3.86 0.00 -1.94 -1.14 103.07 105.38 1yih h GLY 83 Ca 0.15 -0.70 0.08 0.00 0.00 0.00 0.00 47.33 46.86 1yih h GLY 83 CO -0.07 0.63 0.19 -0.84 0.00 0.00 0.00 176.54 176.45 1yih h THR 84 N 0.29 0.78 -0.06 4.70 2.02 -0.97 -2.97 112.91 116.69 1yih h THR 84 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1yih h THR 84 Cb 0.87 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1yih h THR 84 CO 0.07 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.52 1yih n PHE 85 N -5.02 0.06 -0.11 3.16 3.01 0.21 -4.65 117.46 114.13 1yih n PHE 85 Ca 0.07 -0.03 -0.05 0.00 1.01 0.00 0.00 57.45 58.45 1yih n PHE 85 Cb 0.25 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.72 1yih n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yih h ALA 86 N 4.41 0.23 0.00 4.37 0.00 -1.03 0.11 119.26 127.35 1yih h ALA 86 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1yih h ALA 86 Cb 0.65 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1yih h ALA 86 CO 0.00 -0.47 -0.47 1.79 0.00 0.00 0.00 179.25 180.10 1yih h THR 87 N -0.02 1.31 -0.09 0.00 1.35 -1.82 -2.17 112.91 111.47 1yih h THR 87 Ca 0.18 -1.61 -0.19 0.00 -0.55 0.00 0.00 66.41 64.24 1yih h THR 87 Cb 0.30 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1yih h THR 87 CO -0.40 0.46 -0.74 0.25 -0.25 0.00 0.00 175.52 174.84 1yih h LEU 88 N 0.00 0.59 -0.25 3.87 5.85 -1.74 -1.92 115.31 121.70 1yih h LEU 88 Ca -0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1yih h LEU 88 Cb 0.84 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1yih h LEU 88 CO 0.06 1.14 0.16 -1.28 -0.34 0.00 0.00 178.44 178.18 1yih h SER 89 N 0.34 0.29 -0.78 1.25 0.87 -0.60 -0.99 113.55 113.93 1yih h SER 89 Ca -0.04 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1yih h SER 89 Cb 1.33 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 1yih h SER 89 CO 0.13 0.23 0.34 -0.33 -0.53 0.00 0.00 176.83 176.68 1yih h GLU 90 N 0.33 1.15 0.11 2.24 5.08 -1.37 -2.22 114.58 119.92 1yih h GLU 90 Ca 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1yih h GLU 90 Cb -0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1yih h GLU 90 CO -0.02 0.91 -0.06 1.25 -1.00 0.00 0.00 179.01 180.10 1yih h LEU 91 N 1.14 -0.13 -1.33 1.33 5.85 -0.97 -1.21 115.31 119.99 1yih h LEU 91 Ca 0.27 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1yih h LEU 91 Cb 0.17 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1yih h LEU 91 CO -0.03 -0.00 0.22 0.45 -0.34 0.00 0.00 178.44 178.74 1yih h HIS 92 N -0.25 0.67 0.00 1.25 3.86 -1.05 0.14 115.15 119.78 1yih h HIS 92 Ca -0.02 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1yih h HIS 92 Cb 0.20 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1yih h HIS 92 CO -0.04 0.51 -0.00 0.00 0.86 0.00 0.00 177.93 179.26 1yih h ASP 94 N -0.00 0.94 0.00 0.00 3.32 -1.28 -2.31 116.42 117.09 1yih h ASP 94 Ca -0.00 -0.44 -0.36 0.00 0.02 0.00 0.00 57.03 56.26 1yih h ASP 94 Cb 0.00 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.22 1yih h ASP 94 CO 0.00 1.22 -2.35 0.29 -1.72 0.00 0.00 179.24 176.68 1yih n LYS 95 N -4.05 0.59 0.08 3.56 4.01 0.31 -4.65 118.16 118.01 1yih n LYS 95 Ca -0.02 0.14 0.06 0.00 -0.51 0.00 0.00 58.31 57.98 1yih n LYS 95 Cb 0.55 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.58 1yih n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1yih h LEU 96 N -0.01 0.00 -1.95 -0.35 3.38 -1.09 -3.49 115.31 111.81 1yih h LEU 96 Ca -0.53 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.03 1yih h LEU 96 Cb 1.82 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.63 1yih h LEU 96 CO -0.08 0.27 -0.84 1.41 0.09 0.00 0.00 178.44 179.28 1yih n HIS 97 N -2.83 -1.94 -3.38 1.13 8.25 0.49 -4.96 115.22 111.98 1yih n HIS 97 Ca -0.03 0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 57.83 1yih n HIS 97 Cb 0.68 -4.30 -0.09 0.00 1.12 0.00 0.00 29.99 27.40 1yih n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yih s VAL 98 N -3.64 5.16 0.12 1.59 1.01 -0.20 -5.01 120.40 119.44 1yih s VAL 98 Ca 0.07 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 62.01 1yih s VAL 98 Cb -0.02 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 1yih s VAL 98 CO 0.81 0.01 1.66 -0.67 0.00 0.00 0.00 175.10 176.91 1yih n ASP 99 N 5.39 3.33 0.11 3.32 4.64 -1.26 -4.66 116.55 127.43 1yih n ASP 99 Ca -0.08 1.06 0.18 0.00 -1.38 0.00 0.00 54.79 54.56 1yih n ASP 99 Cb 0.50 -1.44 0.75 0.00 -1.04 0.00 0.00 41.12 39.89 1yih n ASP 99 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1yih h ALA 100 N 6.75 2.12 -0.45 -1.67 0.00 -1.97 -2.28 119.26 121.77 1yih h ALA 100 Ca -0.45 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1yih h ALA 100 Cb 1.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1yih h ALA 100 CO 0.91 -0.48 0.31 1.49 0.00 0.00 0.00 179.25 181.48 1yih h GLU 101 N 0.00 0.21 -0.97 0.00 4.57 -1.98 -1.44 114.58 114.96 1yih h GLU 101 Ca 0.16 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.49 1yih h GLU 101 Cb 0.77 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.22 1yih h GLU 101 CO -0.00 0.14 0.61 -0.91 -1.18 0.00 0.00 179.01 177.67 1yih h ASN 102 N 0.22 0.76 -0.21 1.04 4.21 -1.78 -0.87 115.58 118.93 1yih h ASN 102 Ca 0.21 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.74 1yih h ASN 102 Cb 0.54 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1yih h ASN 102 CO -0.04 0.34 0.00 -0.26 -1.29 0.00 0.00 177.43 176.19 1yih h PHE 103 N 0.78 0.51 0.02 1.19 0.04 -1.46 -1.16 116.94 116.86 1yih h PHE 103 Ca 0.51 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 61.02 1yih h PHE 103 Cb 0.77 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1yih h PHE 103 CO -0.00 0.50 -0.95 0.07 -0.60 0.00 0.00 178.31 177.33 1yih h ARG 104 N 0.48 0.27 -0.19 1.51 0.11 -1.27 -2.16 114.38 113.12 1yih h ARG 104 Ca 0.10 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1yih h ARG 104 Cb 0.30 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1yih h ARG 104 CO 0.01 1.04 0.12 -0.07 0.10 0.00 0.00 179.97 181.17 1yih h LEU 105 N 0.14 0.21 -0.62 0.08 3.38 -1.17 -2.20 115.31 115.13 1yih h LEU 105 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1yih h LEU 105 Cb 1.60 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1yih h LEU 105 CO 0.15 0.16 0.36 0.25 0.09 0.00 0.00 178.44 179.45 1yih h LEU 106 N 0.25 0.77 -0.63 1.67 5.85 -1.22 -2.04 115.31 119.95 1yih h LEU 106 Ca 0.07 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1yih h LEU 106 Cb -0.02 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 1yih h LEU 106 CO -0.01 0.62 0.23 1.23 -0.34 0.00 0.00 178.44 180.17 1yih h GLY 107 N 0.85 0.89 1.11 3.75 0.00 -1.13 0.21 103.07 108.75 1yih h GLY 107 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1yih h GLY 107 CO -0.04 -0.04 -0.13 3.43 0.00 0.00 0.00 176.54 179.76 1yih h ASN 108 N 0.40 1.04 -0.59 0.19 2.35 -1.00 -2.08 115.58 115.88 1yih h ASN 108 Ca 0.33 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1yih h ASN 108 Cb 0.43 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1yih h ASN 108 CO -0.33 1.16 0.21 0.58 -1.65 0.00 0.00 177.43 177.39 1yih h VAL 109 N 0.91 1.24 -0.90 2.81 2.07 -0.82 -1.54 116.25 120.02 1yih h VAL 109 Ca 0.14 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1yih h VAL 109 Cb 0.70 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1yih h VAL 109 CO 0.05 0.30 0.57 0.25 0.02 0.00 0.00 177.57 178.76 1yih h LEU 110 N 0.83 1.05 -0.51 2.57 5.85 -0.36 -0.28 115.31 124.46 1yih h LEU 110 Ca 0.19 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1yih h LEU 110 Cb 0.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1yih h LEU 110 CO -0.01 0.78 0.30 0.58 -0.34 0.00 0.00 178.44 179.75 1yih h VAL 111 N 1.23 1.16 -0.72 1.05 2.07 -1.11 0.10 116.25 120.04 1yih h VAL 111 Ca 0.33 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1yih h VAL 111 Cb -0.10 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1yih h VAL 111 CO -0.07 0.17 0.35 0.00 0.02 0.00 0.00 177.57 178.05 1yih h VAL 113 N 1.01 1.21 -0.61 0.00 2.07 -0.36 -0.12 116.25 119.45 1yih h VAL 113 Ca 0.25 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1yih h VAL 113 Cb 0.09 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1yih h VAL 113 CO -0.03 0.24 0.15 -0.07 0.02 0.00 0.00 177.57 177.88 1yih h LEU 114 N 0.43 0.90 -0.35 2.57 3.38 -0.55 -1.55 115.31 120.14 1yih h LEU 114 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1yih h LEU 114 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1yih h LEU 114 CO -0.00 0.88 0.12 0.00 0.09 0.00 0.00 178.44 179.52 1yih h ALA 115 N 1.24 0.45 -0.57 1.53 0.00 -0.96 -0.65 119.26 120.31 1yih h ALA 115 Ca 0.20 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1yih h ALA 115 Cb 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1yih h ALA 115 CO 0.00 0.08 0.30 1.25 0.00 0.00 0.00 179.25 180.88 1yih h HIS 116 N 0.41 0.54 -0.01 0.00 -0.00 -0.61 -1.18 115.15 114.31 1yih h HIS 116 Ca 0.11 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.36 1yih h HIS 116 Cb 0.23 -0.16 0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1yih h HIS 116 CO 0.00 0.26 -0.55 0.45 -0.00 0.00 0.00 177.93 178.09 1yih h HIS 117 N 0.56 0.57 -0.00 5.26 -0.00 -1.20 -3.36 115.15 116.98 1yih h HIS 117 Ca 0.25 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1yih h HIS 117 Cb 0.16 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1yih h HIS 117 CO -0.10 1.12 -0.36 1.19 -0.00 0.00 0.00 177.93 179.78 1yih n PHE 118 N -4.26 0.00 -0.79 2.45 3.01 -0.26 -5.01 117.46 112.60 1yih n PHE 118 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1yih n PHE 118 Cb 0.65 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1yih n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yih n GLY 119 N 1.43 2.98 0.33 1.37 0.00 -0.45 -1.55 105.19 109.30 1yih n GLY 119 Ca 0.08 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1yih n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1yih h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.95 -1.73 116.57 117.61 1yih h LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1yih h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1yih h LYS 120 CO 0.00 0.00 -0.02 1.49 -2.81 0.00 0.00 179.45 178.11 1yih h GLU 121 N 0.00 0.00 -3.73 1.90 4.81 -1.68 -3.30 114.58 112.58 1yih h GLU 121 Ca 0.04 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.51 1yih h GLU 121 Cb 0.33 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.52 1yih h GLU 121 CO -0.00 0.02 1.62 0.34 -0.73 0.00 0.00 179.01 180.26 1yih n PHE 122 N -3.13 3.46 -1.12 0.92 7.35 -0.65 -4.93 117.46 119.36 1yih n PHE 122 Ca 0.00 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1yih n PHE 122 Cb 0.30 -1.90 0.15 0.00 0.35 0.00 0.00 39.48 38.39 1yih n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yih s THR 123 N 0.15 2.49 0.17 -2.13 -4.23 -1.25 -4.72 115.64 106.12 1yih s THR 123 Ca 0.39 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 1yih s THR 123 Cb 0.05 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.41 1yih s THR 123 CO 0.01 -0.21 1.65 -0.65 -0.54 0.00 0.00 174.62 174.89 1yih h PRO 124 N -1.71 -0.06 -0.03 3.99 0.11 -1.94 0.19 132.00 132.55 1yih h PRO 124 Ca -0.51 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1yih h PRO 124 Cb 1.29 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1yih h PRO 124 CO 0.54 -0.04 -0.18 -1.35 -0.21 0.00 0.00 178.00 176.76 1yih h PRO 125 N -0.06 0.05 -0.11 1.05 0.11 -2.00 -1.47 132.00 129.57 1yih h PRO 125 Ca 0.20 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.10 1yih h PRO 125 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1yih h PRO 125 CO -0.46 0.23 -0.77 0.28 -0.21 0.00 0.00 178.00 177.08 1yih h VAL 126 N 0.05 1.32 -0.27 3.15 2.07 -1.57 -2.87 116.25 118.13 1yih h VAL 126 Ca 0.01 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 1yih h VAL 126 Cb 0.36 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1yih h VAL 126 CO 0.02 0.64 0.16 -0.61 0.02 0.00 0.00 177.57 177.81 1yih h GLN 127 N 0.41 0.37 -0.90 1.57 4.15 -0.52 -1.76 115.11 118.43 1yih h GLN 127 Ca -0.05 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.44 1yih h GLN 127 Cb 1.38 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.91 1yih h GLN 127 CO 0.15 0.29 0.54 0.00 -1.93 0.00 0.00 178.83 177.88 1yih h ALA 128 N 1.05 1.31 -0.37 3.38 0.00 -1.23 0.23 119.26 123.64 1yih h ALA 128 Ca 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1yih h ALA 128 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yih h ALA 128 CO -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.39 1yih h ALA 129 N 1.49 0.50 -0.13 0.00 0.00 -1.30 -2.58 119.26 117.24 1yih h ALA 129 Ca 0.44 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1yih h ALA 129 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yih h ALA 129 CO -0.25 0.27 -0.31 1.88 0.00 0.00 0.00 179.25 180.84 1yih h TYR 130 N 0.48 0.29 -0.56 0.00 0.05 -0.31 -2.41 116.97 114.50 1yih h TYR 130 Ca 0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1yih h TYR 130 Cb 0.47 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 1yih h TYR 130 CO 0.04 0.55 0.30 1.96 -1.05 0.00 0.00 178.16 179.95 1yih h GLN 131 N 0.23 0.79 -0.71 4.88 1.08 -0.45 -0.43 115.11 120.49 1yih h GLN 131 Ca 0.03 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1yih h GLN 131 Cb 0.67 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1yih h GLN 131 CO 0.05 0.62 0.19 0.87 -0.95 0.00 0.00 178.83 179.61 1yih h LYS 132 N 0.75 1.11 -0.02 1.46 1.57 -1.17 -2.74 116.57 117.53 1yih h LYS 132 Ca 0.20 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1yih h LYS 132 Cb 0.07 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1yih h LYS 132 CO -0.03 0.97 -0.01 0.28 -0.57 0.00 0.00 179.45 180.09 1yih h VAL 133 N 1.06 1.31 0.00 0.50 2.07 -0.97 -1.26 116.25 118.96 1yih h VAL 133 Ca 0.23 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1yih h VAL 133 Cb 0.34 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1yih h VAL 133 CO -0.00 0.24 -0.33 -0.37 0.02 0.00 0.00 177.57 177.13 1yih h VAL 134 N -0.33 1.18 -0.38 2.57 -1.51 -1.09 0.11 116.25 116.80 1yih h VAL 134 Ca 0.01 -1.15 -0.11 0.00 -1.23 0.00 0.00 66.70 64.22 1yih h VAL 134 Cb 0.40 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1yih h VAL 134 CO 0.00 0.32 -0.18 0.00 -1.23 0.00 0.00 177.57 176.48 1yih h ALA 135 N 1.67 0.53 -0.13 5.19 0.00 -1.46 0.11 119.26 125.18 1yih h ALA 135 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1yih h ALA 135 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1yih h ALA 135 CO 0.04 0.47 -0.00 0.78 0.00 0.00 0.00 179.25 180.54 1yih h GLY 136 N 0.59 0.12 1.01 0.00 0.00 -0.24 -0.40 103.07 104.15 1yih h GLY 136 Ca 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1yih h GLY 136 CO 0.06 -0.02 -0.11 -2.08 0.00 0.00 0.00 176.54 174.38 1yih h VAL 137 N 0.04 1.27 -0.55 4.60 2.07 -0.76 -1.51 116.25 121.41 1yih h VAL 137 Ca 0.06 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.39 1yih h VAL 137 Cb 0.07 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1yih h VAL 137 CO -0.10 0.41 0.33 0.00 0.02 0.00 0.00 177.57 178.23 1yih h ALA 138 N 0.86 0.70 -0.78 1.67 0.00 -0.48 0.51 119.26 121.73 1yih h ALA 138 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yih h ALA 138 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1yih h ALA 138 CO 0.04 0.04 0.30 -0.91 0.00 0.00 0.00 179.25 178.72 1yih h ASN 139 N 0.65 1.10 -0.37 0.00 -0.26 -0.95 -1.58 115.58 114.17 1yih h ASN 139 Ca 0.22 -0.18 -0.12 0.00 -0.56 0.00 0.00 56.30 55.66 1yih h ASN 139 Cb 0.02 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 36.98 1yih h ASN 139 CO -0.10 0.98 -0.20 0.00 -1.06 0.00 0.00 177.43 177.05 1yih h ALA 140 N 1.16 0.82 0.00 -0.83 0.00 -0.97 -1.18 119.26 118.26 1yih h ALA 140 Ca 0.26 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1yih h ALA 140 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yih h ALA 140 CO -0.02 0.65 -0.30 -0.07 0.00 0.00 0.00 179.25 179.51 1yih h LEU 141 N 0.75 0.00 -0.09 0.00 3.38 -0.56 -2.87 115.31 115.92 1yih h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yih h LEU 141 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1yih h LEU 141 CO 0.06 0.30 -0.44 0.00 0.09 0.00 0.00 178.44 178.45 1yih n ALA 142 N -2.28 3.42 -0.30 1.53 0.00 -0.62 -4.35 120.51 117.91 1yih n ALA 142 Ca -0.00 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1yih n ALA 142 Cb 0.46 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 19.06 1yih n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1yih h HIS 143 N 0.23 0.99 -0.31 0.00 2.07 -0.98 -2.71 115.15 114.45 1yih h HIS 143 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1yih h HIS 143 Cb 0.50 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.16 1yih h HIS 143 CO 0.00 0.43 0.00 1.63 -3.07 0.00 0.00 177.93 176.92 1yih n LYS 144 N -4.55 1.86 -2.30 5.12 4.76 -1.26 -4.93 118.16 116.84 1yih n LYS 144 Ca 0.16 -1.32 -0.40 0.00 -2.87 0.00 0.00 58.31 53.88 1yih n LYS 144 Cb 0.34 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1yih n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yih s TYR 145 N -1.60 3.31 0.00 2.13 2.02 -1.02 -4.79 117.35 117.40 1yih s TYR 145 Ca 0.29 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.55 1yih s TYR 145 Cb 0.15 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1yih s TYR 145 CO 0.21 -1.18 0.00 -2.39 -1.57 0.00 0.00 175.55 170.62