#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shr s LEU 2 N 0.00 4.38 0.60 7.52 1.43 -1.26 -5.08 118.68 126.27 1shr s LEU 2 Ca 0.00 1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1shr s LEU 2 Cb 0.00 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1shr s LEU 2 CO 0.00 0.02 0.84 -0.94 0.23 0.00 0.00 176.35 176.51 1shr s SER 3 N -1.56 5.14 0.20 2.29 1.04 -1.26 -4.91 113.70 114.63 1shr s SER 3 Ca 0.45 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.88 1shr s SER 3 Cb -0.18 -0.93 0.17 0.00 0.10 0.00 0.00 66.02 65.18 1shr s SER 3 CO 0.23 -1.28 1.83 -0.65 0.98 0.00 0.00 173.24 174.35 1shr h PRO 4 N -0.12 0.73 -0.92 4.02 0.11 -2.00 -1.87 132.00 131.94 1shr h PRO 4 Ca -0.43 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1shr h PRO 4 Cb 1.30 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1shr h PRO 4 CO 0.54 0.48 0.58 0.00 -0.21 0.00 0.00 178.00 179.39 1shr h ALA 5 N 1.29 1.27 -0.24 -0.75 0.00 -1.99 -1.45 119.26 117.39 1shr h ALA 5 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1shr h ALA 5 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1shr h ALA 5 CO -0.12 0.33 0.16 -0.44 0.00 0.00 0.00 179.25 179.17 1shr h ASP 6 N 1.04 0.28 -0.89 0.00 3.32 -1.73 0.10 116.42 118.54 1shr h ASP 6 Ca 0.40 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 1shr h ASP 6 Cb 0.19 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1shr h ASP 6 CO -0.18 0.22 0.48 0.11 -1.72 0.00 0.00 179.24 178.15 1shr h LYS 7 N 0.32 1.25 -0.38 3.56 1.57 -0.79 -0.35 116.57 121.76 1shr h LYS 7 Ca 0.09 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1shr h LYS 7 Cb -0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1shr h LYS 7 CO -0.02 0.92 -0.09 1.15 -0.57 0.00 0.00 179.45 180.84 1shr h THR 8 N 1.25 1.28 -0.36 -0.16 2.02 -1.04 -1.38 112.91 114.52 1shr h THR 8 Ca 0.31 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1shr h THR 8 Cb 0.04 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1shr h THR 8 CO -0.05 0.39 0.23 0.78 0.37 0.00 0.00 175.52 177.24 1shr h ASN 9 N 0.53 0.42 -0.43 4.18 -0.26 -0.58 -0.71 115.58 118.72 1shr h ASN 9 Ca 0.09 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.75 1shr h ASN 9 Cb 0.61 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1shr h ASN 9 CO 0.04 0.32 0.04 0.58 -1.06 0.00 0.00 177.43 177.35 1shr h VAL 10 N 0.48 1.25 -0.65 2.81 2.07 -1.02 -0.33 116.25 120.87 1shr h VAL 10 Ca 0.13 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1shr h VAL 10 Cb -0.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1shr h VAL 10 CO -0.03 0.33 0.09 0.11 0.02 0.00 0.00 177.57 178.10 1shr h LYS 11 N 0.59 1.07 -0.33 1.57 1.57 -1.10 -0.35 116.57 119.60 1shr h LYS 11 Ca 0.13 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1shr h LYS 11 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1shr h LYS 11 CO 0.01 0.99 -0.16 0.00 -0.57 0.00 0.00 179.45 179.72 1shr h ALA 12 N 1.09 0.46 -0.13 3.86 0.00 -1.01 -0.61 119.26 122.92 1shr h ALA 12 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1shr h ALA 12 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1shr h ALA 12 CO 0.01 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1shr h ALA 13 N 0.77 0.17 0.00 0.00 0.00 -0.93 -1.71 119.26 117.55 1shr h ALA 13 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1shr h ALA 13 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1shr h ALA 13 CO 0.05 -0.12 -0.35 2.35 0.00 0.00 0.00 179.25 181.18 1shr h TRP 14 N -0.05 0.00 -0.64 0.00 2.91 -1.10 -1.14 115.95 115.93 1shr h TRP 14 Ca 0.04 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1shr h TRP 14 Cb 0.39 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1shr h TRP 14 CO 0.04 0.35 0.10 0.78 -1.03 0.00 0.00 178.44 178.68 1shr h GLY 15 N 1.14 1.14 1.21 2.65 0.00 -0.91 -1.83 103.07 106.48 1shr h GLY 15 Ca -0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 1shr h GLY 15 CO 0.05 0.70 -0.16 1.70 0.00 0.00 0.00 176.54 178.83 1shr h LYS 16 N 0.99 0.92 -0.69 4.80 1.63 -0.54 -2.65 116.57 121.03 1shr h LYS 16 Ca 0.20 -0.35 0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1shr h LYS 16 Cb 0.44 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.96 1shr h LYS 16 CO 0.01 1.00 0.40 0.28 -3.45 0.00 0.00 179.45 177.70 1shr h VAL 17 N 0.81 1.00 0.00 2.00 2.07 -0.86 -3.46 116.25 117.81 1shr h VAL 17 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1shr h VAL 17 Cb 0.70 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1shr h VAL 17 CO 0.05 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1shr n GLY 18 N -1.29 3.02 0.00 2.17 0.00 -0.72 -1.60 105.19 106.76 1shr n GLY 18 Ca 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1shr n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shr n ALA 19 N 9.40 1.75 0.91 4.61 0.00 -1.26 -1.92 120.51 134.01 1shr n ALA 19 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1shr n ALA 19 Cb 0.00 -1.20 0.50 0.00 0.00 0.00 0.00 19.45 18.75 1shr n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1shr n HIS 20 N -1.26 0.19 -0.28 0.00 -0.00 -0.63 -4.23 115.22 109.01 1shr n HIS 20 Ca 0.06 0.06 -0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1shr n HIS 20 Cb 0.09 -0.54 0.06 0.00 -0.00 0.00 0.00 29.99 29.60 1shr n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1shr h ALA 21 N 2.89 0.30 -0.46 -1.41 0.00 -1.50 0.30 119.26 119.38 1shr h ALA 21 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1shr h ALA 21 Cb 0.55 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1shr h ALA 21 CO 0.00 -0.52 0.25 0.78 0.00 0.00 0.00 179.25 179.75 1shr h GLY 22 N -0.05 0.64 0.99 0.00 0.00 -1.82 0.28 103.07 103.11 1shr h GLY 22 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1shr h GLY 22 CO -0.82 0.14 0.30 -2.09 0.00 0.00 0.00 176.54 174.07 1shr h GLU 23 N 0.49 0.84 -0.45 4.80 4.81 -1.46 -1.03 114.58 122.58 1shr h GLU 23 Ca 0.19 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1shr h GLU 23 Cb 0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1shr h GLU 23 CO -0.12 0.66 -0.11 1.88 -0.73 0.00 0.00 179.01 180.60 1shr h TYR 24 N 0.80 0.90 -0.70 0.92 0.05 -0.64 -0.37 116.97 117.93 1shr h TYR 24 Ca 0.21 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1shr h TYR 24 Cb 0.08 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1shr h TYR 24 CO -0.01 0.88 0.28 0.78 -1.05 0.00 0.00 178.16 179.04 1shr h GLY 25 N 0.97 1.12 1.18 3.88 0.00 -0.60 0.11 103.07 109.73 1shr h GLY 25 Ca 0.12 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1shr h GLY 25 CO 0.04 0.57 -0.10 0.00 0.00 0.00 0.00 176.54 177.05 1shr h ALA 26 N 1.13 0.84 -0.49 3.60 0.00 -0.84 -1.97 119.26 121.53 1shr h ALA 26 Ca 0.23 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1shr h ALA 26 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1shr h ALA 26 CO -0.02 0.65 -0.12 1.49 0.00 0.00 0.00 179.25 181.26 1shr h GLU 27 N 0.86 0.95 -0.76 0.00 4.81 -0.74 -1.51 114.58 118.18 1shr h GLU 27 Ca 0.14 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1shr h GLU 27 Cb 0.64 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1shr h GLU 27 CO 0.04 1.02 0.47 0.00 -0.73 0.00 0.00 179.01 179.82 1shr h ALA 28 N 0.89 0.97 -0.19 2.92 0.00 -0.82 0.44 119.26 123.47 1shr h ALA 28 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1shr h ALA 28 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1shr h ALA 28 CO 0.05 0.43 0.10 -0.07 0.00 0.00 0.00 179.25 179.76 1shr h LEU 29 N 1.04 0.24 -0.83 0.00 3.38 -1.15 -0.75 115.31 117.24 1shr h LEU 29 Ca 0.28 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1shr h LEU 29 Cb -0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1shr h LEU 29 CO -0.05 0.27 0.50 -0.08 0.09 0.00 0.00 178.44 179.17 1shr h GLU 30 N 0.20 1.12 -0.78 1.13 4.81 -0.86 -0.06 114.58 120.14 1shr h GLU 30 Ca 0.07 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1shr h GLU 30 Cb 0.09 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1shr h GLU 30 CO -0.01 0.79 0.35 0.00 -0.73 0.00 0.00 179.01 179.40 1shr h ARG 31 N 1.14 1.14 -0.23 1.92 3.08 -0.68 -1.64 114.38 119.11 1shr h ARG 31 Ca 0.30 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1shr h ARG 31 Cb -0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1shr h ARG 31 CO -0.06 0.90 0.02 1.98 -1.07 0.00 0.00 179.97 181.74 1shr h MET 32 N 1.11 0.40 -0.44 0.04 4.05 -0.50 0.96 114.93 120.55 1shr h MET 32 Ca 0.26 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1shr h MET 32 Cb 0.16 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1shr h MET 32 CO -0.03 0.56 0.16 0.74 0.23 0.00 0.00 176.91 178.57 1shr h PHE 33 N 0.18 0.62 0.02 1.39 0.04 -0.88 0.23 116.94 118.55 1shr h PHE 33 Ca 0.07 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1shr h PHE 33 Cb 0.37 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1shr h PHE 33 CO 0.03 0.50 -0.15 1.25 -0.60 0.00 0.00 178.31 179.35 1shr h LEU 34 N 0.62 0.09 -0.65 1.54 5.85 -1.18 -3.11 115.31 118.46 1shr h LEU 34 Ca 0.15 -0.97 -0.15 0.00 0.84 0.00 0.00 57.88 57.75 1shr h LEU 34 Cb 0.15 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1shr h LEU 34 CO -0.01 1.06 -0.64 0.28 -0.34 0.00 0.00 178.44 178.79 1shr h SER 35 N -0.87 0.19 -2.38 1.25 0.02 -0.78 -3.37 113.55 107.61 1shr h SER 35 Ca -0.03 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.22 1shr h SER 35 Cb 1.10 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.18 1shr h SER 35 CO 0.03 0.77 -0.82 0.49 -1.14 0.00 0.00 176.83 176.16 1shr n PHE 36 N -3.83 1.41 -0.43 3.45 3.72 0.82 -4.99 117.46 117.61 1shr n PHE 36 Ca -0.02 -3.83 0.38 0.00 -0.05 0.00 0.00 57.45 53.92 1shr n PHE 36 Cb 0.64 -0.33 0.71 0.00 -0.94 0.00 0.00 39.48 39.56 1shr n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1shr h PRO 37 N 4.74 0.08 0.00 -1.08 0.11 -1.70 -1.34 132.00 132.81 1shr h PRO 37 Ca 0.17 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1shr h PRO 37 Cb 0.80 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1shr h PRO 37 CO 0.60 0.05 -0.11 1.79 -0.21 0.00 0.00 178.00 180.12 1shr h THR 38 N 0.08 0.83 0.00 -1.15 1.35 -1.91 -2.00 112.91 110.11 1shr h THR 38 Ca 0.70 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1shr h THR 38 Cb 2.54 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1shr h THR 38 CO -0.13 0.10 0.00 0.71 -0.25 0.00 0.00 175.52 175.95 1shr h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.56 -2.44 112.91 117.08 1shr h THR 39 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1shr h THR 39 Cb 0.22 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1shr h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1shr h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.55 -2.76 116.57 118.55 1shr h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1shr h LYS 40 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1shr h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1shr h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.63 -1.74 112.91 110.73 1shr h THR 41 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1shr h THR 41 Cb 0.35 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1shr h THR 41 CO 0.00 0.00 -0.19 1.88 -0.25 0.00 0.00 175.52 176.96 1shr h TYR 42 N 0.00 0.00 -1.89 4.73 0.05 -1.72 -3.36 116.97 114.77 1shr h TYR 42 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1shr h TYR 42 Cb 0.24 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.57 1shr h TYR 42 CO 0.00 0.00 -0.81 1.19 -1.05 0.00 0.00 178.16 177.49 1shr n PHE 43 N -2.32 2.97 -0.27 4.88 3.01 -0.65 -4.92 117.46 120.15 1shr n PHE 43 Ca 0.05 -3.60 0.12 0.00 1.01 0.00 0.00 57.45 55.02 1shr n PHE 43 Cb 0.45 -0.35 0.37 0.00 -0.01 0.00 0.00 39.48 39.94 1shr n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1shr h PRO 44 N 2.87 0.68 -0.00 -1.08 0.11 -1.73 -1.70 132.00 131.15 1shr h PRO 44 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1shr h PRO 44 Cb 0.76 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1shr h PRO 44 CO 0.75 0.45 -0.07 -2.39 -0.21 0.00 0.00 178.00 176.53 1shr n HIS 45 N -4.56 0.00 -3.30 0.65 1.44 -1.26 -4.89 115.22 103.30 1shr n HIS 45 Ca 0.17 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.56 1shr n HIS 45 Cb 0.46 -0.12 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 1shr n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1shr s PHE 46 N -2.30 3.40 -0.82 -1.40 0.40 -0.64 -5.01 117.98 111.61 1shr s PHE 46 Ca 0.34 1.01 -0.23 0.00 -0.60 0.00 0.00 56.93 57.45 1shr s PHE 46 Cb 0.21 -2.37 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1shr s PHE 46 CO 0.43 0.19 1.19 0.34 0.70 0.00 0.00 175.22 178.07 1shr s ASP 47 N -2.35 6.34 -0.08 1.36 -1.08 -1.26 -4.83 116.67 114.76 1shr s ASP 47 Ca 0.50 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 1shr s ASP 47 Cb -0.11 -2.48 0.56 0.00 -1.46 0.00 0.00 42.92 39.43 1shr s ASP 47 CO 0.20 -1.48 1.48 0.18 0.52 0.00 0.00 175.17 176.07 1shr n LEU 48 N 8.15 3.99 0.08 -1.34 4.77 -1.26 -4.34 117.00 127.05 1shr n LEU 48 Ca 0.12 -2.37 0.11 0.00 -0.03 0.00 0.00 56.01 53.84 1shr n LEU 48 Cb 0.48 -0.46 0.44 0.00 -2.33 0.00 0.00 43.42 41.55 1shr n LEU 48 CO 0.63 0.78 0.84 -1.20 -1.33 0.00 0.00 177.39 177.11 1shr n SER 49 N 0.71 0.43 -1.35 -1.43 7.64 -1.26 -4.89 113.62 113.48 1shr n SER 49 Ca 0.21 0.59 -0.01 0.00 1.01 0.00 0.00 58.87 60.67 1shr n SER 49 Cb 0.73 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1shr n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shr n HIS 50 N -1.96 -0.74 -1.83 1.43 1.44 -1.26 -5.04 115.22 107.27 1shr n HIS 50 Ca 0.04 -0.20 -0.42 0.00 -2.01 0.00 0.00 57.72 55.12 1shr n HIS 50 Cb 0.26 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.47 1shr n HIS 50 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1shr n GLY 51 N -0.11 4.26 3.63 -1.39 0.00 -1.26 -4.89 105.19 105.43 1shr n GLY 51 Ca -0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1shr n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1shr s SER 52 N 3.23 2.04 0.42 1.61 1.04 -1.26 -4.76 113.70 116.03 1shr s SER 52 Ca 0.47 1.11 0.12 0.00 0.48 0.00 0.00 55.95 58.13 1shr s SER 52 Cb 0.13 -1.72 0.91 0.00 0.10 0.00 0.00 66.02 65.44 1shr s SER 52 CO -0.07 -3.49 1.97 0.00 0.98 0.00 0.00 173.24 172.63 1shr h ALA 53 N -2.14 1.63 -0.42 5.32 0.00 -1.92 -0.06 119.26 121.66 1shr h ALA 53 Ca -0.54 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1shr h ALA 53 Cb 1.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1shr h ALA 53 CO 0.53 0.28 -0.00 0.37 0.00 0.00 0.00 179.25 180.43 1shr h GLN 54 N 0.11 0.75 -0.39 0.00 4.15 -1.91 0.21 115.11 118.04 1shr h GLN 54 Ca 0.02 -0.24 -0.13 0.00 0.77 0.00 0.00 58.65 59.08 1shr h GLN 54 Cb 0.32 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1shr h GLN 54 CO 0.02 0.83 -0.27 0.28 -1.93 0.00 0.00 178.83 177.76 1shr h VAL 55 N 0.59 1.27 -0.32 2.39 2.07 -1.63 -0.26 116.25 120.36 1shr h VAL 55 Ca 0.12 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1shr h VAL 55 Cb 0.49 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1shr h VAL 55 CO 0.02 0.47 -0.11 0.11 0.02 0.00 0.00 177.57 178.08 1shr h LYS 56 N 0.69 0.65 -0.54 1.57 1.57 -0.82 0.13 116.57 119.82 1shr h LYS 56 Ca 0.09 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1shr h LYS 56 Cb 0.80 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1shr h LYS 56 CO 0.07 0.84 -0.02 0.78 -0.57 0.00 0.00 179.45 180.55 1shr h GLY 57 N 0.42 1.01 1.35 3.86 0.00 -0.51 -2.17 103.07 107.04 1shr h GLY 57 Ca 0.08 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1shr h GLY 57 CO 0.04 0.67 -0.45 0.84 0.00 0.00 0.00 176.54 177.64 1shr h HIS 58 N 0.86 0.86 -0.43 5.60 -0.00 -0.93 -2.64 115.15 118.46 1shr h HIS 58 Ca 0.15 -0.27 0.03 0.00 -0.00 0.00 0.00 60.37 60.29 1shr h HIS 58 Cb 0.54 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 1shr h HIS 58 CO 0.03 1.02 0.29 0.78 -0.00 0.00 0.00 177.93 180.06 1shr h GLY 59 N 0.94 0.53 0.95 5.26 0.00 -0.42 -1.24 103.07 109.08 1shr h GLY 59 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1shr h GLY 59 CO 0.09 0.16 -0.02 1.70 0.00 0.00 0.00 176.54 178.47 1shr h LYS 60 N 0.47 0.71 -0.50 4.80 1.63 -1.05 -0.59 116.57 122.03 1shr h LYS 60 Ca 0.18 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1shr h LYS 60 Cb 0.12 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1shr h LYS 60 CO -0.04 0.81 0.16 0.87 -3.45 0.00 0.00 179.45 177.81 1shr h LYS 61 N 0.53 0.78 -0.34 1.90 1.57 -1.04 -0.35 116.57 119.62 1shr h LYS 61 Ca 0.11 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1shr h LYS 61 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1shr h LYS 61 CO 0.02 0.72 0.22 0.28 -0.57 0.00 0.00 179.45 180.12 1shr h VAL 62 N 0.68 1.10 -0.47 0.50 2.07 -1.17 -1.57 116.25 117.40 1shr h VAL 62 Ca 0.16 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1shr h VAL 62 Cb 0.26 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1shr h VAL 62 CO -0.01 0.10 0.29 0.00 0.02 0.00 0.00 177.57 177.97 1shr h ALA 63 N 1.10 0.60 -0.62 1.67 0.00 -0.83 -1.35 119.26 119.83 1shr h ALA 63 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1shr h ALA 63 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1shr h ALA 63 CO -0.02 -0.01 0.35 -0.44 0.00 0.00 0.00 179.25 179.13 1shr h ASP 64 N 0.58 0.76 -0.50 0.00 3.32 -0.76 0.80 116.42 120.61 1shr h ASP 64 Ca 0.18 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1shr h ASP 64 Cb -0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1shr h ASP 64 CO -0.07 0.60 0.01 0.00 -1.72 0.00 0.00 179.24 178.07 1shr h ALA 65 N 1.53 0.67 -0.62 3.45 0.00 -0.68 -1.62 119.26 121.99 1shr h ALA 65 Ca 0.22 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1shr h ALA 65 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1shr h ALA 65 CO -0.04 0.46 0.06 -0.07 0.00 0.00 0.00 179.25 179.66 1shr h LEU 66 N 0.73 1.00 -0.91 0.00 3.38 -0.58 0.18 115.31 119.11 1shr h LEU 66 Ca 0.14 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1shr h LEU 66 Cb 0.50 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1shr h LEU 66 CO 0.02 1.02 0.60 0.74 0.09 0.00 0.00 178.44 180.92 1shr h THR 67 N 0.97 1.21 -0.40 0.22 2.02 -0.64 0.14 112.91 116.42 1shr h THR 67 Ca 0.18 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1shr h THR 67 Cb 0.48 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1shr h THR 67 CO 0.02 0.22 -0.26 -1.13 0.37 0.00 0.00 175.52 174.75 1shr h ASN 68 N 1.21 0.86 -0.18 4.18 -1.24 -0.78 -1.70 115.58 117.93 1shr h ASN 68 Ca 0.34 -0.33 -0.12 0.00 0.71 0.00 0.00 56.30 56.91 1shr h ASN 68 Cb -0.10 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 1shr h ASN 68 CO -0.09 1.07 -0.29 0.00 -1.29 0.00 0.00 177.43 176.83 1shr h ALA 69 N 0.99 0.89 -0.27 1.57 0.00 -0.28 -0.53 119.26 121.63 1shr h ALA 69 Ca 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1shr h ALA 69 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1shr h ALA 69 CO 0.07 0.62 0.02 0.28 0.00 0.00 0.00 179.25 180.24 1shr h VAL 70 N 0.57 1.24 -0.61 0.00 2.07 -0.61 -0.48 116.25 118.44 1shr h VAL 70 Ca 0.07 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1shr h VAL 70 Cb 0.79 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1shr h VAL 70 CO 0.06 0.27 0.18 0.00 0.02 0.00 0.00 177.57 178.11 1shr h ALA 71 N 0.84 1.17 -1.40 1.67 0.00 -1.16 -3.18 119.26 117.20 1shr h ALA 71 Ca 0.08 -0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.18 1shr h ALA 71 Cb 0.38 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 17.52 1shr h ALA 71 CO 0.01 0.57 -0.50 0.72 0.00 0.00 0.00 179.25 180.06 1shr n HIS 72 N -4.28 3.32 0.25 0.00 8.25 -0.22 -4.83 115.22 117.72 1shr n HIS 72 Ca 0.05 -2.96 0.17 0.00 -0.26 0.00 0.00 57.72 54.71 1shr n HIS 72 Cb 0.21 -0.25 0.89 0.00 1.12 0.00 0.00 29.99 31.97 1shr n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1shr h VAL 73 N 2.47 0.44 -0.41 1.59 3.04 -1.07 -0.87 116.25 121.44 1shr h VAL 73 Ca 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 1shr h VAL 73 Cb 0.85 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1shr h VAL 73 CO 0.92 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.95 1shr n ASP 74 N -3.74 2.96 -2.76 3.17 8.00 -1.26 -4.22 116.55 118.70 1shr n ASP 74 Ca -0.01 -1.94 -0.00 0.00 0.71 0.00 0.00 54.79 53.55 1shr n ASP 74 Cb 0.22 -0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1shr n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1shr n ASP 75 N 1.14 0.97 -0.14 -2.24 2.03 -0.35 -4.97 116.55 112.99 1shr n ASP 75 Ca 0.19 -2.06 -0.10 0.00 0.52 0.00 0.00 54.79 53.34 1shr n ASP 75 Cb 0.51 -0.25 -0.01 0.00 -0.72 0.00 0.00 41.12 40.65 1shr n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1shr h MET 76 N 2.25 0.69 -0.62 -0.67 2.86 -1.67 -0.31 114.93 117.46 1shr h MET 76 Ca -0.20 -0.19 0.11 0.00 -2.06 0.00 0.00 59.70 57.36 1shr h MET 76 Cb 1.29 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1shr h MET 76 CO 0.11 0.73 0.15 -1.35 1.06 0.00 0.00 176.91 177.61 1shr h PRO 77 N 0.54 0.28 -0.11 -0.22 0.11 -1.93 0.25 132.00 130.93 1shr h PRO 77 Ca 0.12 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 1shr h PRO 77 Cb 0.38 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1shr h PRO 77 CO 0.01 0.19 -0.24 -0.91 -0.21 0.00 0.00 178.00 176.83 1shr h ASN 78 N 0.29 0.40 -0.50 -2.05 2.35 -1.96 -2.48 115.58 111.64 1shr h ASN 78 Ca 0.32 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1shr h ASN 78 Cb 0.48 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1shr h ASN 78 CO -0.39 0.90 0.28 0.00 -1.65 0.00 0.00 177.43 176.57 1shr h ALA 79 N 0.52 1.52 -0.38 -0.83 0.00 -0.47 -2.98 119.26 116.64 1shr h ALA 79 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1shr h ALA 79 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1shr h ALA 79 CO 0.05 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1shr n LEU 80 N -4.40 4.19 -0.34 0.00 4.77 0.84 -4.70 117.00 117.36 1shr n LEU 80 Ca 0.05 -2.78 0.13 0.00 -0.03 0.00 0.00 56.01 53.38 1shr n LEU 80 Cb 0.10 -0.53 0.34 0.00 -2.33 0.00 0.00 43.42 41.00 1shr n LEU 80 CO 0.37 0.69 1.20 0.77 -1.33 0.00 0.00 177.39 179.09 1shr h SER 81 N 2.51 0.74 -0.13 -1.43 4.64 -1.27 0.79 113.55 119.40 1shr h SER 81 Ca 0.00 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1shr h SER 81 Cb 1.44 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1shr h SER 81 CO 0.24 0.28 -0.17 0.00 -0.87 0.00 0.00 176.83 176.32 1shr h ALA 82 N 1.63 1.17 0.00 5.18 0.00 -1.85 -1.06 119.26 124.33 1shr h ALA 82 Ca 0.55 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1shr h ALA 82 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1shr h ALA 82 CO -0.34 0.53 -0.54 -0.07 0.00 0.00 0.00 179.25 178.83 1shr h LEU 83 N 0.47 0.00 -0.17 0.00 3.38 -1.25 -2.31 115.31 115.43 1shr h LEU 83 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1shr h LEU 83 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1shr h LEU 83 CO 0.04 0.54 -0.46 -1.28 0.09 0.00 0.00 178.44 177.37 1shr h SER 84 N 0.00 0.70 -0.60 -0.43 0.87 -0.80 0.49 113.55 113.78 1shr h SER 84 Ca -0.01 -0.58 0.08 0.00 -1.23 0.00 0.00 61.79 60.05 1shr h SER 84 Cb 1.14 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.83 1shr h SER 84 CO 0.07 1.16 0.26 0.44 -0.53 0.00 0.00 176.83 178.23 1shr h ASP 85 N 0.28 0.32 0.11 6.23 3.32 -1.04 0.26 116.42 125.90 1shr h ASP 85 Ca -0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1shr h ASP 85 Cb 1.08 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1shr h ASP 85 CO 0.10 0.20 -0.05 0.25 -1.72 0.00 0.00 179.24 178.01 1shr h LEU 86 N 0.48 -0.13 -0.13 1.55 5.85 -1.32 -1.24 115.31 120.37 1shr h LEU 86 Ca 0.29 -0.39 -0.23 0.00 0.84 0.00 0.00 57.88 58.38 1shr h LEU 86 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1shr h LEU 86 CO -0.25 0.37 -0.99 0.45 -0.34 0.00 0.00 178.44 177.68 1shr h HIS 87 N -0.67 0.58 0.05 1.25 3.86 -0.78 0.13 115.15 119.57 1shr h HIS 87 Ca -0.02 -0.33 -0.34 0.00 -1.16 0.00 0.00 60.37 58.52 1shr h HIS 87 Cb 0.51 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 1shr h HIS 87 CO 0.08 1.16 -1.92 0.00 0.86 0.00 0.00 177.93 178.11 1shr n ALA 88 N -2.54 0.98 -0.03 2.45 0.00 0.92 -1.70 120.51 120.59 1shr n ALA 88 Ca -0.07 -0.71 -0.19 0.00 0.00 0.00 0.00 53.44 52.47 1shr n ALA 88 Cb 0.86 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1shr n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1shr h HIS 89 N -0.42 0.25 0.00 0.00 3.86 -1.27 -3.34 115.15 114.24 1shr h HIS 89 Ca -0.46 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 58.52 1shr h HIS 89 Cb 1.73 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.19 1shr h HIS 89 CO 0.05 1.34 -0.52 -0.22 0.86 0.00 0.00 177.93 179.44 1shr h LYS 90 N -0.65 0.00 0.00 2.45 3.64 -1.15 -3.41 116.57 117.44 1shr h LYS 90 Ca -0.20 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 1shr h LYS 90 Cb 1.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 1shr h LYS 90 CO 0.00 0.27 -0.63 -0.07 -2.27 0.00 0.00 179.45 176.75 1shr h LEU 91 N -1.00 0.00 -1.69 5.20 3.38 -0.92 -3.48 115.31 116.80 1shr h LEU 91 Ca -0.07 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.43 1shr h LEU 91 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1shr h LEU 91 CO -0.04 0.63 -0.85 0.54 0.09 0.00 0.00 178.44 178.81 1shr n ARG 92 N -3.30 -4.21 -1.93 1.13 1.74 -0.69 -4.88 116.66 104.52 1shr n ARG 92 Ca 0.01 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.18 1shr n ARG 92 Cb 0.77 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.23 1shr n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1shr s VAL 93 N -3.72 2.63 0.14 1.55 1.01 -0.77 -4.95 120.40 116.28 1shr s VAL 93 Ca 0.13 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1shr s VAL 93 Cb -0.07 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1shr s VAL 93 CO 0.85 0.03 1.45 -0.62 0.00 0.00 0.00 175.10 176.82 1shr s ASP 94 N 1.19 6.74 0.52 3.32 -1.08 -1.26 -4.89 116.67 121.20 1shr s ASP 94 Ca 0.70 2.44 0.33 0.00 -0.52 0.00 0.00 52.55 55.50 1shr s ASP 94 Cb -0.44 -2.59 1.46 0.00 -1.46 0.00 0.00 42.92 39.90 1shr s ASP 94 CO 0.31 -0.71 1.81 -0.65 0.52 0.00 0.00 175.17 176.44 1shr h PRO 95 N 6.71 0.07 -0.88 4.34 0.11 -1.97 -1.00 132.00 139.38 1shr h PRO 95 Ca -0.42 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 1shr h PRO 95 Cb 1.21 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1shr h PRO 95 CO 0.88 0.05 0.57 -0.24 -0.21 0.00 0.00 178.00 179.05 1shr h VAL 96 N 0.07 0.96 0.00 3.15 3.04 -2.01 -0.81 116.25 120.65 1shr h VAL 96 Ca 0.56 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.93 1shr h VAL 96 Cb 2.08 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1shr h VAL 96 CO -0.06 0.16 -0.12 0.78 -1.01 0.00 0.00 177.57 177.31 1shr h ASN 97 N 0.86 0.00 0.49 3.17 4.21 -1.55 -1.21 115.58 121.55 1shr h ASN 97 Ca 0.41 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.77 1shr h ASN 97 Cb 0.43 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1shr h ASN 97 CO -0.18 0.12 -0.66 -0.26 -1.29 0.00 0.00 177.43 175.16 1shr h PHE 98 N 0.00 0.20 -0.35 1.19 -1.00 -1.28 -1.17 116.94 114.53 1shr h PHE 98 Ca -0.00 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.57 1shr h PHE 98 Cb 0.23 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1shr h PHE 98 CO 0.00 0.76 -0.31 0.87 -1.61 0.00 0.00 178.31 178.03 1shr h LYS 99 N 0.11 0.76 -0.14 1.51 1.57 -1.12 -0.13 116.57 119.12 1shr h LYS 99 Ca -0.01 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1shr h LYS 99 Cb 1.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1shr h LYS 99 CO 0.10 0.97 0.00 -0.07 -0.57 0.00 0.00 179.45 179.87 1shr h LEU 100 N 0.64 0.25 -0.52 2.94 3.38 -1.09 -0.72 115.31 120.19 1shr h LEU 100 Ca 0.07 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1shr h LEU 100 Cb 0.84 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1shr h LEU 100 CO 0.07 0.49 0.05 0.25 0.09 0.00 0.00 178.44 179.40 1shr h LEU 101 N -0.01 0.85 -0.53 1.67 5.85 -1.16 -1.34 115.31 120.64 1shr h LEU 101 Ca 0.04 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1shr h LEU 101 Cb 0.37 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1shr h LEU 101 CO 0.01 0.92 0.32 0.28 -0.34 0.00 0.00 178.44 179.62 1shr h SER 102 N 0.76 0.51 -0.70 1.25 0.02 -0.94 0.13 113.55 114.58 1shr h SER 102 Ca 0.15 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1shr h SER 102 Cb 0.45 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1shr h SER 102 CO 0.02 0.36 0.38 -0.74 -1.14 0.00 0.00 176.83 175.70 1shr h HIS 103 N 0.63 0.98 0.00 3.45 -0.00 -0.95 -1.61 115.15 117.65 1shr h HIS 103 Ca 0.22 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1shr h HIS 103 Cb 0.03 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1shr h HIS 103 CO -0.07 0.70 -0.33 0.00 -0.00 0.00 0.00 177.93 178.23 1shr h LEU 105 N 0.00 0.96 -0.85 0.00 5.85 -0.49 -2.01 115.31 118.77 1shr h LEU 105 Ca -0.00 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 1shr h LEU 105 Cb 0.68 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1shr h LEU 105 CO 0.04 1.40 0.31 -0.07 -0.34 0.00 0.00 178.44 179.78 1shr h LEU 106 N 0.57 1.06 -0.78 2.25 3.38 -0.91 -0.52 115.31 120.37 1shr h LEU 106 Ca -0.04 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1shr h LEU 106 Cb 1.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1shr h LEU 106 CO 0.15 0.94 0.31 0.58 0.09 0.00 0.00 178.44 180.51 1shr h VAL 107 N 1.12 1.26 -0.25 1.22 2.07 -1.14 -0.90 116.25 119.63 1shr h VAL 107 Ca 0.26 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1shr h VAL 107 Cb 0.21 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1shr h VAL 107 CO -0.02 0.34 0.05 0.74 0.02 0.00 0.00 177.57 178.69 1shr h THR 108 N 1.14 1.23 -0.78 2.57 2.02 -0.80 -1.81 112.91 116.47 1shr h THR 108 Ca 0.26 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1shr h THR 108 Cb 0.22 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1shr h THR 108 CO -0.02 0.24 0.33 -0.07 0.37 0.00 0.00 175.52 176.37 1shr h LEU 109 N 0.23 1.06 -0.54 2.58 3.38 -0.93 -2.06 115.31 119.03 1shr h LEU 109 Ca 0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1shr h LEU 109 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1shr h LEU 109 CO 0.00 0.93 0.18 0.00 0.09 0.00 0.00 178.44 179.65 1shr h ALA 110 N 1.22 0.71 -0.14 1.53 0.00 -1.03 0.32 119.26 121.87 1shr h ALA 110 Ca 0.26 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1shr h ALA 110 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1shr h ALA 110 CO -0.02 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.33 1shr h ALA 111 N 1.04 1.31 0.01 0.00 0.00 -1.03 -3.22 119.26 117.37 1shr h ALA 111 Ca 0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 1shr h ALA 111 Cb 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1shr h ALA 111 CO -0.01 0.47 -2.07 0.72 0.00 0.00 0.00 179.25 178.36 1shr n HIS 112 N -4.16 0.52 -3.25 0.00 -0.00 -0.80 -4.66 115.22 102.87 1shr n HIS 112 Ca -0.01 0.18 -0.26 0.00 -0.00 0.00 0.00 57.72 57.63 1shr n HIS 112 Cb 0.37 -1.09 -0.07 0.00 -0.00 0.00 0.00 29.99 29.20 1shr n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1shr n LEU 113 N -2.95 3.50 -0.19 2.41 4.77 0.11 -4.94 117.00 119.71 1shr n LEU 113 Ca -0.26 -5.42 0.00 0.00 -0.03 0.00 0.00 56.01 50.29 1shr n LEU 113 Cb 1.10 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 41.83 1shr n LEU 113 CO 0.43 2.16 0.85 -0.65 -1.33 0.00 0.00 177.39 178.85 1shr h PRO 114 N 3.76 0.13 -0.03 3.23 0.11 -1.76 -0.30 132.00 137.14 1shr h PRO 114 Ca 0.16 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 1shr h PRO 114 Cb 0.65 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1shr h PRO 114 CO 0.78 0.09 -0.82 0.00 -0.21 0.00 0.00 178.00 177.84 1shr h ALA 115 N 1.52 0.53 0.00 -0.75 0.00 -1.92 -3.28 119.26 115.37 1shr h ALA 115 Ca 0.31 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1shr h ALA 115 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1shr h ALA 115 CO -0.48 0.82 -0.54 0.93 0.00 0.00 0.00 179.25 179.98 1shr h GLU 116 N 0.21 0.00 -3.16 0.00 3.07 -1.87 -3.38 114.58 109.45 1shr h GLU 116 Ca -0.05 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.12 1shr h GLU 116 Cb 1.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.31 1shr h GLU 116 CO 0.14 0.47 3.35 0.34 -1.40 0.00 0.00 179.01 181.91 1shr n PHE 117 N -3.20 2.70 -1.42 4.33 7.35 -0.16 -4.81 117.46 122.26 1shr n PHE 117 Ca 0.01 -3.01 -0.29 0.00 -0.76 0.00 0.00 57.45 53.41 1shr n PHE 117 Cb 0.73 -2.36 0.14 0.00 0.35 0.00 0.00 39.48 38.35 1shr n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1shr s THR 118 N 1.66 2.17 0.25 -2.13 -4.23 -1.26 -4.75 115.64 107.35 1shr s THR 118 Ca 0.61 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1shr s THR 118 Cb 0.17 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.55 1shr s THR 118 CO -0.07 -0.07 1.93 -0.65 -0.54 0.00 0.00 174.62 175.22 1shr h PRO 119 N -1.57 1.32 -0.50 3.99 0.11 -1.98 0.18 132.00 133.55 1shr h PRO 119 Ca -0.51 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.45 1shr h PRO 119 Cb 1.32 -0.30 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1shr h PRO 119 CO 0.60 0.87 0.06 0.00 -0.21 0.00 0.00 178.00 179.32 1shr h ALA 120 N 1.37 0.66 -0.44 -0.75 0.00 -1.97 -0.67 119.26 117.46 1shr h ALA 120 Ca 0.37 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1shr h ALA 120 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1shr h ALA 120 CO -0.09 0.42 -0.15 0.28 0.00 0.00 0.00 179.25 179.71 1shr h VAL 121 N 0.71 1.27 -0.33 0.00 2.07 -1.80 -1.37 116.25 116.81 1shr h VAL 121 Ca 0.15 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1shr h VAL 121 Cb 0.43 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1shr h VAL 121 CO 0.01 0.44 0.12 -0.74 0.02 0.00 0.00 177.57 177.42 1shr h HIS 122 N 0.72 0.21 -0.24 1.57 6.17 -0.83 0.97 115.15 123.72 1shr h HIS 122 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1shr h HIS 122 Cb 0.71 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.58 1shr h HIS 122 CO 0.05 0.09 0.15 0.00 0.71 0.00 0.00 177.93 178.94 1shr h ALA 123 N 1.20 0.30 -0.56 5.26 0.00 -0.92 -1.29 119.26 123.26 1shr h ALA 123 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1shr h ALA 123 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1shr h ALA 123 CO -0.15 -0.21 0.17 0.77 0.00 0.00 0.00 179.25 179.83 1shr h SER 124 N 0.31 0.82 -0.67 0.00 0.02 -0.90 -2.32 113.55 110.80 1shr h SER 124 Ca 0.09 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1shr h SER 124 Cb -0.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1shr h SER 124 CO -0.02 0.81 0.27 -0.07 -1.14 0.00 0.00 176.83 176.69 1shr h LEU 125 N 0.78 0.95 -0.33 5.07 3.38 -0.64 -0.27 115.31 124.24 1shr h LEU 125 Ca 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1shr h LEU 125 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1shr h LEU 125 CO -0.00 0.85 0.12 -0.78 0.09 0.00 0.00 178.44 178.72 1shr h ASP 126 N 1.01 0.46 -0.69 -0.43 3.58 -1.00 -0.19 116.42 119.16 1shr h ASP 126 Ca 0.23 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1shr h ASP 126 Cb 0.20 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1shr h ASP 126 CO -0.02 0.51 0.14 0.11 -2.88 0.00 0.00 179.24 177.10 1shr h LYS 127 N 0.38 1.13 -0.38 0.28 1.57 -1.13 -1.34 116.57 117.07 1shr h LYS 127 Ca 0.11 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1shr h LYS 127 Cb 0.20 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1shr h LYS 127 CO -0.01 1.01 0.24 0.35 -0.57 0.00 0.00 179.45 180.47 1shr h PHE 128 N 1.06 0.50 -0.12 -1.35 3.57 -0.78 -0.86 116.94 118.96 1shr h PHE 128 Ca 0.21 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1shr h PHE 128 Cb 0.40 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1shr h PHE 128 CO 0.03 0.34 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.06 1shr h LEU 129 N 0.51 0.24 -0.50 0.59 3.38 -0.88 -1.11 115.31 117.54 1shr h LEU 129 Ca 0.14 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1shr h LEU 129 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1shr h LEU 129 CO -0.03 0.56 -0.14 0.00 0.09 0.00 0.00 178.44 178.92 1shr h ALA 130 N 1.46 0.69 -0.53 1.53 0.00 -0.80 -0.80 119.26 120.82 1shr h ALA 130 Ca 0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1shr h ALA 130 Cb 0.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1shr h ALA 130 CO 0.05 0.62 -0.09 0.77 0.00 0.00 0.00 179.25 180.61 1shr h SER 131 N 0.84 0.99 -0.73 0.00 0.02 -0.80 -1.21 113.55 112.66 1shr h SER 131 Ca 0.12 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1shr h SER 131 Cb 0.71 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1shr h SER 131 CO 0.05 1.10 0.34 0.58 -1.14 0.00 0.00 176.83 177.76 1shr h VAL 132 N 0.86 1.24 -0.78 2.27 2.07 -1.12 -2.02 116.25 118.78 1shr h VAL 132 Ca 0.14 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1shr h VAL 132 Cb 0.65 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1shr h VAL 132 CO 0.04 0.29 0.28 0.28 0.02 0.00 0.00 177.57 178.49 1shr h SER 133 N 1.03 1.11 -0.62 0.57 0.02 -0.87 -1.69 113.55 113.09 1shr h SER 133 Ca 0.25 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1shr h SER 133 Cb 0.15 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1shr h SER 133 CO -0.03 1.00 0.25 0.74 -1.14 0.00 0.00 176.83 177.64 1shr h THR 134 N 1.15 1.23 -0.07 -2.27 2.02 -0.88 -1.68 112.91 112.40 1shr h THR 134 Ca 0.26 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1shr h THR 134 Cb 0.26 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1shr h THR 134 CO -0.02 0.29 0.04 0.58 0.37 0.00 0.00 175.52 176.78 1shr h VAL 135 N 0.87 1.11 0.00 3.16 2.07 -1.03 -1.75 116.25 120.68 1shr h VAL 135 Ca 0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1shr h VAL 135 Cb 0.21 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1shr h VAL 135 CO -0.02 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 1shr h LEU 136 N -0.00 0.00 -1.71 2.57 4.07 -1.16 -2.79 115.31 116.28 1shr h LEU 136 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1shr h LEU 136 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1shr h LEU 136 CO -0.00 0.00 -0.01 0.35 -1.08 0.00 0.00 178.44 177.70 1shr n THR 137 N -2.91 0.00 -3.83 0.22 -2.24 -0.65 -2.37 114.28 102.50 1shr n THR 137 Ca 0.00 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 1shr n THR 137 Cb 0.25 1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.82 1shr n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1shr s SER 138 N -1.61 6.44 -0.39 3.42 0.01 -0.67 -4.81 113.70 116.08 1shr s SER 138 Ca 0.22 0.50 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 1shr s SER 138 Cb 0.16 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.33 1shr s SER 138 CO 0.25 0.36 0.27 -0.54 0.41 0.00 0.00 173.24 173.98 1shr s LYS 139 N -1.29 2.98 -0.09 12.44 1.02 -1.26 -4.82 119.74 128.72 1shr s LYS 139 Ca 0.20 -1.00 0.13 0.00 0.02 0.00 0.00 55.97 55.32 1shr s LYS 139 Cb -0.13 -3.90 0.25 0.00 -0.52 0.00 0.00 37.83 33.54 1shr s LYS 139 CO 0.09 -0.71 1.12 2.48 -0.92 0.00 0.00 175.35 177.42 1shr n TYR 140 N 5.11 0.00 1.74 3.18 0.18 -1.26 -5.18 117.16 120.94 1shr n TYR 140 Ca -0.11 -0.73 0.14 0.00 1.88 0.00 0.00 57.90 59.08 1shr n TYR 140 Cb 0.47 -0.14 0.83 0.00 -0.38 0.00 0.00 39.34 40.12 1shr n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32