#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7b s LEU 2 N 0.00 4.54 0.86 -0.89 1.43 -1.26 -5.04 118.68 118.32 1c7b s LEU 2 Ca 0.00 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1c7b s LEU 2 Cb 0.00 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.64 1c7b s LEU 2 CO 0.00 -0.92 1.10 -0.94 0.23 0.00 0.00 176.35 175.82 1c7b s SER 3 N 2.41 3.90 0.31 2.29 1.04 -1.26 -4.80 113.70 117.58 1c7b s SER 3 Ca 0.23 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1c7b s SER 3 Cb -0.15 -2.01 0.52 0.00 0.10 0.00 0.00 66.02 64.48 1c7b s SER 3 CO 0.17 -2.35 1.94 -0.65 0.98 0.00 0.00 173.24 173.33 1c7b h PRO 4 N -1.35 1.00 -0.45 4.02 0.11 -2.00 -0.49 132.00 132.84 1c7b h PRO 4 Ca -0.49 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1c7b h PRO 4 Cb 1.29 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1c7b h PRO 4 CO 0.58 0.66 -0.03 0.00 -0.21 0.00 0.00 178.00 178.99 1c7b h ALA 5 N 1.51 1.10 -0.41 -0.75 0.00 -1.99 -1.50 119.26 117.22 1c7b h ALA 5 Ca 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1c7b h ALA 5 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1c7b h ALA 5 CO -0.11 0.57 0.15 -0.44 0.00 0.00 0.00 179.25 179.42 1c7b h ASP 6 N 0.70 0.58 -0.78 0.00 3.32 -1.49 -1.12 116.42 117.63 1c7b h ASP 6 Ca 0.13 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1c7b h ASP 6 Cb 0.48 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1c7b h ASP 6 CO 0.02 0.60 0.34 0.11 -1.72 0.00 0.00 179.24 178.59 1c7b h LYS 7 N 0.52 1.14 -0.39 3.56 1.57 -0.95 0.12 116.57 122.13 1c7b h LYS 7 Ca 0.14 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1c7b h LYS 7 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1c7b h LYS 7 CO -0.01 0.91 0.26 1.15 -0.57 0.00 0.00 179.45 181.19 1c7b h THR 8 N 1.11 1.11 -0.57 -0.16 2.02 -1.12 -1.66 112.91 113.64 1c7b h THR 8 Ca 0.26 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1c7b h THR 8 Cb 0.17 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1c7b h THR 8 CO -0.03 0.11 0.31 0.78 0.37 0.00 0.00 175.52 177.06 1c7b h ASN 9 N 0.53 0.72 -0.21 4.18 2.35 -0.64 -1.28 115.58 121.22 1c7b h ASN 9 Ca 0.14 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1c7b h ASN 9 Cb -0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1c7b h ASN 9 CO -0.03 0.61 0.05 0.58 -1.65 0.00 0.00 177.43 176.99 1c7b h VAL 10 N 0.77 1.21 -0.93 2.81 2.07 -0.77 -1.36 116.25 120.05 1c7b h VAL 10 Ca 0.20 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1c7b h VAL 10 Cb 0.05 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1c7b h VAL 10 CO -0.03 0.21 0.57 0.11 0.02 0.00 0.00 177.57 178.45 1c7b h LYS 11 N 0.16 1.26 -0.27 1.57 1.57 -1.24 0.67 116.57 120.29 1c7b h LYS 11 Ca 0.07 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1c7b h LYS 11 Cb 0.27 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1c7b h LYS 11 CO 0.00 0.88 0.09 0.00 -0.57 0.00 0.00 179.45 179.85 1c7b h ALA 12 N 1.31 0.36 -0.30 3.86 0.00 -1.08 -0.68 119.26 122.73 1c7b h ALA 12 Ca 0.34 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1c7b h ALA 12 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1c7b h ALA 12 CO -0.06 -0.02 -0.12 0.00 0.00 0.00 0.00 179.25 179.05 1c7b h ALA 13 N 0.93 0.42 -0.23 0.00 0.00 -0.88 -2.73 119.26 116.77 1c7b h ALA 13 Ca 0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1c7b h ALA 13 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1c7b h ALA 13 CO -0.00 0.29 -0.34 2.35 0.00 0.00 0.00 179.25 181.54 1c7b h TRP 14 N 0.37 0.56 -0.87 0.00 2.91 -0.88 -2.22 115.95 115.82 1c7b h TRP 14 Ca 0.07 -0.14 0.07 0.00 1.13 0.00 0.00 58.89 60.02 1c7b h TRP 14 Cb 0.63 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 29.09 1c7b h TRP 14 CO 0.06 0.77 0.57 0.78 -1.03 0.00 0.00 178.44 179.58 1c7b h GLY 15 N 1.07 1.25 2.00 2.65 0.00 -1.07 -1.23 103.07 107.74 1c7b h GLY 15 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1c7b h GLY 15 CO 0.06 0.26 -0.48 1.70 0.00 0.00 0.00 176.54 178.09 1c7b h LYS 16 N 0.95 0.00 0.04 4.80 1.63 -1.10 -2.93 116.57 119.96 1c7b h LYS 16 Ca 0.38 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1c7b h LYS 16 Cb 0.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1c7b h LYS 16 CO -0.15 0.48 -0.03 0.28 -3.45 0.00 0.00 179.45 176.58 1c7b h VAL 17 N 0.00 0.93 0.00 2.00 2.07 -0.70 -3.46 116.25 117.09 1c7b h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1c7b h VAL 17 Cb 0.89 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1c7b h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1c7b n GLY 18 N -1.13 3.66 0.00 2.17 0.00 -0.94 -1.95 105.19 107.00 1c7b n GLY 18 Ca -0.07 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1c7b n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7b n ALA 19 N 11.68 2.52 1.18 4.61 0.00 -1.26 -2.66 120.51 136.59 1c7b n ALA 19 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1c7b n ALA 19 Cb 0.00 -1.43 0.25 0.00 0.00 0.00 0.00 19.45 18.28 1c7b n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7b n HIS 20 N -0.97 0.00 -0.24 0.00 -0.00 -0.82 -4.50 115.22 108.68 1c7b n HIS 20 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.96 1c7b n HIS 20 Cb 0.09 -0.01 0.17 0.00 -0.00 0.00 0.00 29.99 30.24 1c7b n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1c7b h ALA 21 N 4.48 0.90 -0.15 -1.41 0.00 -1.64 -0.74 119.26 120.69 1c7b h ALA 21 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1c7b h ALA 21 Cb 0.79 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1c7b h ALA 21 CO 0.00 -0.33 0.06 0.78 0.00 0.00 0.00 179.25 179.77 1c7b h GLY 22 N 0.27 0.19 0.93 0.00 0.00 -1.85 -0.42 103.07 102.20 1c7b h GLY 22 Ca 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1c7b h GLY 22 CO -0.49 0.04 0.61 -2.09 0.00 0.00 0.00 176.54 174.61 1c7b h GLU 23 N 0.15 1.17 -0.16 4.80 4.81 -1.64 -2.08 114.58 121.62 1c7b h GLU 23 Ca 0.06 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1c7b h GLU 23 Cb 0.02 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1c7b h GLU 23 CO -0.05 0.77 -0.49 1.88 -0.73 0.00 0.00 179.01 180.39 1c7b h TYR 24 N 1.21 0.51 -0.56 0.92 0.05 -0.91 -2.11 116.97 116.08 1c7b h TYR 24 Ca 0.36 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.98 1c7b h TYR 24 Cb -0.06 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1c7b h TYR 24 CO -0.01 0.83 0.37 0.78 -1.05 0.00 0.00 178.16 179.08 1c7b h GLY 25 N 1.19 0.79 1.09 3.88 0.00 -0.56 -0.88 103.07 108.57 1c7b h GLY 25 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1c7b h GLY 25 CO 0.09 0.28 0.30 0.00 0.00 0.00 0.00 176.54 177.20 1c7b h ALA 26 N 1.21 1.07 -0.27 3.60 0.00 -1.26 -2.06 119.26 121.55 1c7b h ALA 26 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1c7b h ALA 26 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1c7b h ALA 26 CO -0.05 0.65 -0.30 1.49 0.00 0.00 0.00 179.25 181.04 1c7b h GLU 27 N 1.12 0.56 -0.64 0.00 4.81 -1.10 -1.96 114.58 117.36 1c7b h GLU 27 Ca 0.26 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1c7b h GLU 27 Cb 0.23 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1c7b h GLU 27 CO -0.02 0.80 0.17 0.00 -0.73 0.00 0.00 179.01 179.23 1c7b h ALA 28 N 1.20 0.84 -0.46 2.92 0.00 -0.80 -0.65 119.26 122.31 1c7b h ALA 28 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1c7b h ALA 28 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1c7b h ALA 28 CO 0.06 0.54 0.26 -0.07 0.00 0.00 0.00 179.25 180.04 1c7b h LEU 29 N 0.94 0.58 -0.95 0.00 3.38 -1.15 -0.56 115.31 117.54 1c7b h LEU 29 Ca 0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1c7b h LEU 29 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1c7b h LEU 29 CO -0.00 0.49 0.32 -0.08 0.09 0.00 0.00 178.44 179.26 1c7b h GLU 30 N 0.61 1.08 -0.79 1.13 4.81 -1.06 0.16 114.58 120.51 1c7b h GLU 30 Ca 0.16 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1c7b h GLU 30 Cb 0.04 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1c7b h GLU 30 CO -0.03 0.85 0.39 0.00 -0.73 0.00 0.00 179.01 179.50 1c7b h ARG 31 N 1.06 1.14 -0.00 1.92 3.08 -0.86 -2.07 114.38 118.65 1c7b h ARG 31 Ca 0.25 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1c7b h ARG 31 Cb 0.16 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1c7b h ARG 31 CO -0.03 0.87 0.00 1.98 -1.07 0.00 0.00 179.97 181.73 1c7b h MET 32 N 1.12 0.01 -0.51 0.04 4.05 -0.24 0.01 114.93 119.41 1c7b h MET 32 Ca 0.27 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1c7b h MET 32 Cb 0.10 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1c7b h MET 32 CO -0.04 0.29 0.28 0.74 0.23 0.00 0.00 176.91 178.42 1c7b h PHE 33 N -0.28 0.67 0.18 1.39 0.04 -0.63 0.01 116.94 118.32 1c7b h PHE 33 Ca 0.00 -0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 1c7b h PHE 33 Cb 0.29 -0.22 0.02 0.00 2.20 0.00 0.00 35.95 38.24 1c7b h PHE 33 CO 0.02 0.46 -1.37 -0.07 -0.60 0.00 0.00 178.31 176.75 1c7b h LEU 34 N 0.70 0.61 0.04 1.54 3.38 -1.26 -3.29 115.31 117.03 1c7b h LEU 34 Ca 0.18 -0.67 -0.24 0.00 0.09 0.00 0.00 57.88 57.24 1c7b h LEU 34 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1c7b h LEU 34 CO -0.03 1.52 -1.19 0.28 0.09 0.00 0.00 178.44 179.12 1c7b h SER 35 N 0.11 0.14 -2.37 -0.43 0.02 -0.82 -3.39 113.55 106.80 1c7b h SER 35 Ca -0.20 -0.16 -0.59 0.00 -0.84 0.00 0.00 61.79 60.00 1c7b h SER 35 Cb 2.07 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 64.16 1c7b h SER 35 CO 0.23 1.13 -0.82 0.49 -1.14 0.00 0.00 176.83 176.72 1c7b n PHE 36 N -3.37 1.39 0.28 3.45 3.72 -0.03 -4.99 117.46 117.92 1c7b n PHE 36 Ca -0.05 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.70 1c7b n PHE 36 Cb 0.98 -0.33 0.95 0.00 -0.94 0.00 0.00 39.48 40.15 1c7b n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1c7b h PRO 37 N 4.71 0.00 0.00 -1.08 0.11 -1.75 -1.22 132.00 132.78 1c7b h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1c7b h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1c7b h PRO 37 CO 0.60 0.00 -0.03 1.79 -0.21 0.00 0.00 178.00 180.15 1c7b h THR 38 N 0.00 0.16 0.00 -1.15 1.35 -1.92 -1.12 112.91 110.23 1c7b h THR 38 Ca 0.04 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1c7b h THR 38 Cb 0.32 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1c7b h THR 38 CO -0.00 0.03 0.00 0.71 -0.25 0.00 0.00 175.52 176.01 1c7b h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.55 -2.64 112.91 116.89 1c7b h THR 39 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1c7b h THR 39 Cb 0.24 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1c7b h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1c7b h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.39 -3.07 116.57 118.40 1c7b h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1c7b h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1c7b h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1c7b h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.66 -1.73 112.91 110.71 1c7b h THR 41 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1c7b h THR 41 Cb 0.38 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1c7b h THR 41 CO 0.00 0.00 -0.39 -1.22 -0.25 0.00 0.00 175.52 173.66 1c7b n TYR 42 N -2.37 0.00 -2.49 4.73 4.01 -1.16 -4.37 117.16 115.51 1c7b n TYR 42 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1c7b n TYR 42 Cb 0.16 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1c7b n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1c7b n PHE 43 N -1.21 2.53 0.53 -0.72 3.01 -0.65 -4.85 117.46 116.10 1c7b n PHE 43 Ca 0.08 -2.82 0.11 0.00 1.01 0.00 0.00 57.45 55.83 1c7b n PHE 43 Cb 0.34 -0.21 0.45 0.00 -0.01 0.00 0.00 39.48 40.04 1c7b n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1c7b n PRO 44 N -0.41 0.15 -0.13 -1.08 -0.04 -1.25 -2.14 135.00 130.10 1c7b n PRO 44 Ca 0.29 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 1c7b n PRO 44 Cb 0.76 -1.74 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1c7b n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1c7b n HIS 45 N -2.01 0.34 -4.13 0.54 1.44 -1.26 -4.90 115.22 105.25 1c7b n HIS 45 Ca 0.04 -0.17 -0.30 0.00 -2.01 0.00 0.00 57.72 55.27 1c7b n HIS 45 Cb 0.27 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 1c7b n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1c7b s PHE 46 N -1.66 3.00 -0.32 -1.40 0.40 -0.91 -5.09 117.98 112.01 1c7b s PHE 46 Ca 0.30 -0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.32 1c7b s PHE 46 Cb 0.16 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 42.16 1c7b s PHE 46 CO 0.23 0.48 1.06 0.34 0.70 0.00 0.00 175.22 178.03 1c7b s ASP 47 N -2.29 6.92 -0.04 1.36 -1.08 -1.26 -4.93 116.67 115.36 1c7b s ASP 47 Ca 0.26 1.04 0.17 0.00 -0.52 0.00 0.00 52.55 53.50 1c7b s ASP 47 Cb -0.12 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.36 1c7b s ASP 47 CO 0.18 -0.86 1.47 0.18 0.52 0.00 0.00 175.17 176.66 1c7b n LEU 48 N 6.81 3.84 -4.72 -1.34 4.77 -1.26 -4.51 117.00 120.59 1c7b n LEU 48 Ca 0.12 -2.18 -0.32 0.00 -0.03 0.00 0.00 56.01 53.59 1c7b n LEU 48 Cb 0.47 -0.44 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1c7b n LEU 48 CO 0.58 0.85 0.72 -0.94 -1.33 0.00 0.00 177.39 177.27 1c7b s SER 49 N -1.04 3.92 0.22 -1.43 1.04 -1.26 -4.90 113.70 110.24 1c7b s SER 49 Ca 0.41 2.08 -0.31 0.00 0.48 0.00 0.00 55.95 58.62 1c7b s SER 49 Cb 0.24 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.69 1c7b s SER 49 CO 0.24 -2.43 1.60 -2.28 0.98 0.00 0.00 173.24 171.34 1c7b s HIS 50 N -2.57 2.94 0.00 5.02 2.46 -1.26 -1.91 115.29 119.97 1c7b s HIS 50 Ca 0.66 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1c7b s HIS 50 Cb -0.22 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 1c7b s HIS 50 CO 0.53 -3.59 0.00 0.41 -2.47 0.00 0.00 174.74 169.62 1c7b n GLY 51 N 3.19 0.91 3.69 1.59 0.00 -1.26 -5.02 105.19 108.28 1c7b n GLY 51 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1c7b n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1c7b n SER 52 N 0.00 3.05 0.24 1.61 2.88 -0.80 -4.87 113.62 115.73 1c7b n SER 52 Ca 0.00 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 1c7b n SER 52 Cb 0.00 -1.46 0.46 0.00 -0.75 0.00 0.00 64.21 62.46 1c7b n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c7b h ALA 53 N 4.66 0.98 -0.45 -1.46 0.00 -1.91 -1.77 119.26 119.31 1c7b h ALA 53 Ca -0.45 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 1c7b h ALA 53 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1c7b h ALA 53 CO 0.79 0.15 -0.19 1.96 0.00 0.00 0.00 179.25 181.95 1c7b h GLN 54 N 0.00 0.93 -0.29 0.00 4.20 -1.89 -0.24 115.11 117.82 1c7b h GLN 54 Ca -0.00 -0.40 -0.10 0.00 0.06 0.00 0.00 58.65 58.21 1c7b h GLN 54 Cb 0.75 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1c7b h GLN 54 CO 0.02 1.06 -0.21 0.28 -0.67 0.00 0.00 178.83 179.30 1c7b h VAL 55 N 0.77 1.30 -0.81 -0.54 2.07 -1.76 -1.42 116.25 115.86 1c7b h VAL 55 Ca 0.10 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1c7b h VAL 55 Cb 0.76 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1c7b h VAL 55 CO 0.06 0.43 0.52 0.11 0.02 0.00 0.00 177.57 178.71 1c7b h LYS 56 N 0.39 0.99 -0.55 1.57 1.57 -1.29 0.68 116.57 119.94 1c7b h LYS 56 Ca 0.05 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1c7b h LYS 56 Cb 0.76 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1c7b h LYS 56 CO 0.06 0.65 -0.10 0.78 -0.57 0.00 0.00 179.45 180.28 1c7b h GLY 57 N 1.02 1.11 1.38 3.86 0.00 -0.92 -1.95 103.07 107.57 1c7b h GLY 57 Ca 0.32 -0.89 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1c7b h GLY 57 CO -0.11 0.82 -0.43 0.84 0.00 0.00 0.00 176.54 177.66 1c7b h HIS 58 N 0.91 0.81 -0.57 5.60 -0.00 -1.06 -2.56 115.15 118.28 1c7b h HIS 58 Ca 0.14 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 1c7b h HIS 58 Cb 0.66 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 1c7b h HIS 58 CO 0.05 0.99 0.30 0.78 -0.00 0.00 0.00 177.93 180.04 1c7b h GLY 59 N 0.97 0.83 1.16 5.26 0.00 -0.65 -0.47 103.07 110.18 1c7b h GLY 59 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1c7b h GLY 59 CO 0.09 0.35 0.00 1.70 0.00 0.00 0.00 176.54 178.68 1c7b h LYS 60 N 0.79 1.00 -0.49 4.80 1.63 -1.13 -1.07 116.57 122.09 1c7b h LYS 60 Ca 0.20 -0.31 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 1c7b h LYS 60 Cb 0.04 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1c7b h LYS 60 CO -0.03 0.98 0.03 0.87 -3.45 0.00 0.00 179.45 177.86 1c7b h LYS 61 N 0.92 0.85 -0.33 1.90 1.57 -1.00 0.13 116.57 120.62 1c7b h LYS 61 Ca 0.17 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1c7b h LYS 61 Cb 0.53 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1c7b h LYS 61 CO 0.03 0.87 0.18 0.28 -0.57 0.00 0.00 179.45 180.24 1c7b h VAL 62 N 0.72 1.13 -0.57 0.50 2.07 -0.97 -1.67 116.25 117.46 1c7b h VAL 62 Ca 0.14 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1c7b h VAL 62 Cb 0.47 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1c7b h VAL 62 CO 0.02 0.13 0.23 0.00 0.02 0.00 0.00 177.57 177.97 1c7b h ALA 63 N 1.05 0.74 -0.95 1.67 0.00 -1.05 -1.32 119.26 119.40 1c7b h ALA 63 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1c7b h ALA 63 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1c7b h ALA 63 CO -0.02 0.36 0.63 -0.44 0.00 0.00 0.00 179.25 179.78 1c7b h ASP 64 N 0.79 1.07 -0.64 0.00 3.32 -0.84 0.65 116.42 120.76 1c7b h ASP 64 Ca 0.19 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1c7b h ASP 64 Cb 0.20 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1c7b h ASP 64 CO -0.02 0.76 0.07 0.00 -1.72 0.00 0.00 179.24 178.34 1c7b h ALA 65 N 1.42 0.90 -0.29 3.45 0.00 -0.79 -2.11 119.26 121.84 1c7b h ALA 65 Ca 0.36 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1c7b h ALA 65 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1c7b h ALA 65 CO -0.09 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.53 1c7b h LEU 66 N 1.02 0.56 -1.03 0.00 3.38 -0.39 -0.93 115.31 117.91 1c7b h LEU 66 Ca 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1c7b h LEU 66 Cb 0.48 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1c7b h LEU 66 CO 0.02 0.78 0.35 0.74 0.09 0.00 0.00 178.44 180.42 1c7b h THR 67 N 0.49 1.23 -0.47 0.22 2.02 -0.61 -0.54 112.91 115.25 1c7b h THR 67 Ca 0.07 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.52 1c7b h THR 67 Cb 0.66 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1c7b h THR 67 CO 0.05 0.27 -0.09 -1.13 0.37 0.00 0.00 175.52 174.99 1c7b h ASN 68 N 1.03 0.83 -0.43 4.18 -1.24 -0.99 -1.69 115.58 117.28 1c7b h ASN 68 Ca 0.25 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 1c7b h ASN 68 Cb 0.10 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1c7b h ASN 68 CO -0.03 0.95 0.00 0.00 -1.29 0.00 0.00 177.43 177.06 1c7b h ALA 69 N 1.13 0.58 -0.53 1.57 0.00 -0.47 -1.80 119.26 119.74 1c7b h ALA 69 Ca 0.13 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1c7b h ALA 69 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1c7b h ALA 69 CO 0.04 0.37 0.35 0.28 0.00 0.00 0.00 179.25 180.28 1c7b h VAL 70 N 0.60 1.13 0.00 0.00 2.07 -0.98 -1.10 116.25 117.97 1c7b h VAL 70 Ca 0.12 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1c7b h VAL 70 Cb 0.48 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1c7b h VAL 70 CO 0.02 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 1c7b h ALA 71 N 1.20 1.21 -0.79 1.67 0.00 -1.14 -2.71 119.26 118.69 1c7b h ALA 71 Ca 0.20 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 1c7b h ALA 71 Cb -0.08 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.28 1c7b h ALA 71 CO -0.05 0.21 -0.52 0.72 0.00 0.00 0.00 179.25 179.62 1c7b n HIS 72 N -3.59 2.81 0.30 0.00 8.25 -0.69 -4.85 115.22 117.45 1c7b n HIS 72 Ca -0.01 -2.36 0.19 0.00 -0.26 0.00 0.00 57.72 55.28 1c7b n HIS 72 Cb 0.31 -0.53 0.94 0.00 1.12 0.00 0.00 29.99 31.82 1c7b n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1c7b h VAL 73 N 1.96 0.00 -0.01 1.59 3.04 -0.88 0.81 116.25 122.77 1c7b h VAL 73 Ca 0.41 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1c7b h VAL 73 Cb 1.41 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1c7b h VAL 73 CO 0.90 0.00 -0.63 0.47 -1.01 0.00 0.00 177.57 177.30 1c7b n ASP 74 N -2.84 1.31 -2.70 3.17 8.00 -1.26 -4.38 116.55 117.84 1c7b n ASP 74 Ca -0.02 -1.07 -0.07 0.00 0.71 0.00 0.00 54.79 54.35 1c7b n ASP 74 Cb 0.12 0.58 0.04 0.00 -0.02 0.00 0.00 41.12 41.84 1c7b n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1c7b n ASP 75 N -0.84 1.72 -0.09 -2.24 2.03 0.21 -4.98 116.55 112.36 1c7b n ASP 75 Ca 0.07 -2.53 -0.13 0.00 0.52 0.00 0.00 54.79 52.73 1c7b n ASP 75 Cb 0.38 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.24 1c7b n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1c7b h MET 76 N 2.82 0.65 -0.96 -0.67 2.86 -1.59 -2.75 114.93 115.29 1c7b h MET 76 Ca -0.08 -0.33 0.16 0.00 -2.06 0.00 0.00 59.70 57.39 1c7b h MET 76 Cb 1.21 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.79 1c7b h MET 76 CO 0.40 0.93 0.61 -1.35 1.06 0.00 0.00 176.91 178.56 1c7b h PRO 77 N 0.38 0.74 -0.00 -0.22 0.11 -1.94 -0.93 132.00 130.15 1c7b h PRO 77 Ca 0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1c7b h PRO 77 Cb 0.79 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1c7b h PRO 77 CO 0.06 0.49 -0.00 -0.97 -0.21 0.00 0.00 178.00 177.37 1c7b h ASN 78 N 0.77 0.00 -0.03 -2.05 -1.24 -1.96 -2.60 115.58 108.47 1c7b h ASN 78 Ca 0.50 -0.57 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1c7b h ASN 78 Cb 0.76 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 1c7b h ASN 78 CO -0.27 0.57 0.02 0.00 -1.29 0.00 0.00 177.43 176.46 1c7b h ALA 79 N 0.43 2.01 -0.53 1.57 0.00 -1.13 -1.70 119.26 119.91 1c7b h ALA 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c7b h ALA 79 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1c7b h ALA 79 CO 0.00 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1c7b n LEU 80 N -4.53 4.07 -0.15 0.00 4.77 -0.40 -4.69 117.00 116.07 1c7b n LEU 80 Ca -0.02 -2.35 -0.03 0.00 -0.03 0.00 0.00 56.01 53.58 1c7b n LEU 80 Cb 0.11 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1c7b n LEU 80 CO 0.34 0.80 0.92 -1.28 -1.33 0.00 0.00 177.39 176.84 1c7b h SER 81 N 3.28 0.05 0.30 -1.43 0.87 -0.89 0.10 113.55 115.83 1c7b h SER 81 Ca 0.00 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1c7b h SER 81 Cb 1.20 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1c7b h SER 81 CO 0.14 0.06 -0.39 0.00 -0.53 0.00 0.00 176.83 176.10 1c7b h ALA 82 N 1.35 1.24 -0.07 6.23 0.00 -1.83 -1.53 119.26 124.65 1c7b h ALA 82 Ca 0.23 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1c7b h ALA 82 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1c7b h ALA 82 CO -0.29 0.54 -0.73 -0.07 0.00 0.00 0.00 179.25 178.69 1c7b h LEU 83 N 0.11 0.44 -0.74 0.00 3.38 -1.64 -1.67 115.31 115.20 1c7b h LEU 83 Ca 0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1c7b h LEU 83 Cb 0.74 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1c7b h LEU 83 CO 0.06 1.03 0.34 0.28 0.09 0.00 0.00 178.44 180.23 1c7b h SER 84 N 0.25 0.98 -0.28 -0.43 0.02 -0.35 -1.73 113.55 112.00 1c7b h SER 84 Ca -0.03 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1c7b h SER 84 Cb 1.31 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1c7b h SER 84 CO 0.12 0.85 0.13 0.44 -1.14 0.00 0.00 176.83 177.23 1c7b h ASP 85 N 1.04 0.36 -0.69 3.07 3.32 -1.14 -1.78 116.42 120.60 1c7b h ASP 85 Ca 0.25 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1c7b h ASP 85 Cb 0.14 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1c7b h ASP 85 CO -0.03 0.39 0.32 0.25 -1.72 0.00 0.00 179.24 178.44 1c7b h LEU 86 N 0.31 0.91 -0.32 1.55 5.85 -1.20 -0.86 115.31 121.55 1c7b h LEU 86 Ca 0.09 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1c7b h LEU 86 Cb 0.12 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1c7b h LEU 86 CO -0.01 0.80 -0.70 0.45 -0.34 0.00 0.00 178.44 178.63 1c7b h HIS 87 N 0.96 0.82 -0.28 1.25 3.86 -1.24 -0.22 115.15 120.30 1c7b h HIS 87 Ca 0.23 -0.35 -0.13 0.00 -1.16 0.00 0.00 60.37 58.97 1c7b h HIS 87 Cb 0.14 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1c7b h HIS 87 CO 0.01 1.13 -0.35 0.00 0.86 0.00 0.00 177.93 179.59 1c7b h ALA 88 N 0.78 0.42 0.00 2.45 0.00 -1.10 0.39 119.26 122.19 1c7b h ALA 88 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1c7b h ALA 88 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1c7b h ALA 88 CO 0.14 0.48 -1.52 0.72 0.00 0.00 0.00 179.25 179.07 1c7b n HIS 89 N -4.21 0.00 0.03 0.00 8.25 -0.35 -4.51 115.22 114.43 1c7b n HIS 89 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1c7b n HIS 89 Cb 0.51 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 1c7b n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1c7b n LYS 90 N -1.91 0.02 -0.12 -0.41 5.02 -0.97 -4.86 118.16 114.94 1c7b n LYS 90 Ca -0.02 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1c7b n LYS 90 Cb 0.36 -0.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.95 1c7b n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1c7b h LEU 91 N -0.04 0.61 -1.63 -0.35 3.38 -1.14 -3.47 115.31 112.66 1c7b h LEU 91 Ca 0.00 -0.30 -0.40 0.00 0.09 0.00 0.00 57.88 57.27 1c7b h LEU 91 Cb 0.04 -0.16 0.08 0.00 0.09 0.00 0.00 40.66 40.71 1c7b h LEU 91 CO 0.00 0.76 -0.80 0.54 0.09 0.00 0.00 178.44 179.03 1c7b n ARG 92 N -4.51 -5.54 -2.37 1.13 1.74 0.14 -4.96 116.66 102.29 1c7b n ARG 92 Ca -0.02 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 1c7b n ARG 92 Cb 0.27 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.27 1c7b n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1c7b s VAL 93 N -3.54 3.92 0.24 1.55 1.01 -1.25 -4.97 120.40 117.35 1c7b s VAL 93 Ca 0.09 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 1c7b s VAL 93 Cb -0.04 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 1c7b s VAL 93 CO 0.79 0.08 1.62 -0.67 0.00 0.00 0.00 175.10 176.91 1c7b n ASP 94 N 4.29 3.66 0.03 3.32 -0.08 -1.26 -4.84 116.55 121.67 1c7b n ASP 94 Ca 0.10 1.11 0.22 0.00 -1.51 0.00 0.00 54.79 54.71 1c7b n ASP 94 Cb 0.45 -1.54 0.70 0.00 2.34 0.00 0.00 41.12 43.07 1c7b n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c7b h PRO 95 N 5.57 0.00 0.00 -0.67 0.11 -1.99 -1.05 132.00 133.96 1c7b h PRO 95 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1c7b h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1c7b h PRO 95 CO 0.86 0.00 -0.07 -0.24 -0.21 0.00 0.00 178.00 178.34 1c7b h VAL 96 N 0.00 0.92 0.00 3.15 3.04 -2.03 -2.70 116.25 118.63 1c7b h VAL 96 Ca 0.26 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1c7b h VAL 96 Cb 1.42 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1c7b h VAL 96 CO -0.00 0.07 -0.10 0.78 -1.01 0.00 0.00 177.57 177.31 1c7b h ASN 97 N 0.00 0.00 0.31 3.17 2.35 -1.54 -2.85 115.58 117.02 1c7b h ASN 97 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1c7b h ASN 97 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1c7b h ASN 97 CO 0.01 0.10 -0.35 -0.26 -1.65 0.00 0.00 177.43 175.27 1c7b h PHE 98 N 0.00 0.07 -0.17 1.19 -1.00 -1.65 -1.88 116.94 113.51 1c7b h PHE 98 Ca -0.00 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 1c7b h PHE 98 Cb 0.63 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1c7b h PHE 98 CO 0.00 0.41 -0.30 0.87 -1.61 0.00 0.00 178.31 177.68 1c7b h LYS 99 N 0.06 0.33 -0.18 1.51 1.57 -1.67 -1.36 116.57 116.83 1c7b h LYS 99 Ca 0.00 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1c7b h LYS 99 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1c7b h LYS 99 CO 0.05 0.61 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.09 1c7b h LEU 100 N 0.29 0.64 -0.53 2.94 3.38 -1.43 -1.56 115.31 119.03 1c7b h LEU 100 Ca 0.04 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 1c7b h LEU 100 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1c7b h LEU 100 CO 0.05 1.08 -0.12 0.25 0.09 0.00 0.00 178.44 179.79 1c7b h LEU 101 N 0.22 1.03 -0.42 1.67 5.85 -1.33 -2.28 115.31 120.05 1c7b h LEU 101 Ca 0.00 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1c7b h LEU 101 Cb 0.98 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1c7b h LEU 101 CO 0.08 1.15 0.15 0.28 -0.34 0.00 0.00 178.44 179.76 1c7b h SER 102 N 0.90 0.15 -0.45 1.25 0.02 -1.22 0.17 113.55 114.37 1c7b h SER 102 Ca 0.14 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1c7b h SER 102 Cb 0.69 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1c7b h SER 102 CO 0.05 0.12 0.20 -0.74 -1.14 0.00 0.00 176.83 175.32 1c7b h HIS 103 N 0.31 0.36 -0.10 3.45 -0.00 -1.18 -0.85 115.15 117.15 1c7b h HIS 103 Ca 0.20 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 1c7b h HIS 103 Cb 0.19 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1c7b h HIS 103 CO -0.15 0.16 -0.33 0.00 -0.00 0.00 0.00 177.93 177.61 1c7b h LEU 105 N 0.16 0.76 -0.40 0.00 3.38 -0.36 -1.69 115.31 117.16 1c7b h LEU 105 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1c7b h LEU 105 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1c7b h LEU 105 CO 0.05 0.71 0.24 -0.07 0.09 0.00 0.00 178.44 179.46 1c7b h LEU 106 N 0.76 0.48 -1.13 1.67 3.38 -0.51 -0.00 115.31 119.97 1c7b h LEU 106 Ca 0.19 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1c7b h LEU 106 Cb 0.17 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1c7b h LEU 106 CO -0.02 0.39 0.59 0.58 0.09 0.00 0.00 178.44 180.08 1c7b h VAL 107 N 0.53 1.17 -0.32 1.22 2.07 -1.09 -0.11 116.25 119.73 1c7b h VAL 107 Ca 0.14 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1c7b h VAL 107 Cb -0.00 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 1c7b h VAL 107 CO -0.03 0.21 -0.03 0.74 0.02 0.00 0.00 177.57 178.48 1c7b h THR 108 N 1.15 1.27 -0.79 2.57 2.02 -0.69 -1.72 112.91 116.72 1c7b h THR 108 Ca 0.35 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 1c7b h THR 108 Cb -0.02 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1c7b h THR 108 CO -0.10 0.33 0.32 -0.07 0.37 0.00 0.00 175.52 176.38 1c7b h LEU 109 N 0.37 1.09 -0.88 2.58 3.38 -0.65 -2.55 115.31 118.64 1c7b h LEU 109 Ca 0.09 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1c7b h LEU 109 Cb 0.49 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1c7b h LEU 109 CO 0.02 0.96 0.58 0.00 0.09 0.00 0.00 178.44 180.09 1c7b h ALA 110 N 1.17 1.14 0.00 1.53 0.00 -0.83 0.63 119.26 122.90 1c7b h ALA 110 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1c7b h ALA 110 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1c7b h ALA 110 CO -0.02 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1c7b h ALA 111 N 1.34 1.00 0.00 0.00 0.00 -0.94 -3.25 119.26 117.41 1c7b h ALA 111 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1c7b h ALA 111 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1c7b h ALA 111 CO -0.09 0.00 -0.77 0.72 0.00 0.00 0.00 179.25 179.11 1c7b n HIS 112 N -2.30 0.00 -3.11 0.00 -0.00 -0.91 -4.81 115.22 104.09 1c7b n HIS 112 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.47 1c7b n HIS 112 Cb 0.30 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.99 30.18 1c7b n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1c7b n LEU 113 N -1.42 4.49 -0.28 2.41 4.77 0.16 -4.93 117.00 122.20 1c7b n LEU 113 Ca -0.00 -5.56 0.02 0.00 -0.03 0.00 0.00 56.01 50.44 1c7b n LEU 113 Cb 0.11 -0.67 0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1c7b n LEU 113 CO 0.11 2.19 1.13 1.55 -1.33 0.00 0.00 177.39 181.04 1c7b h PRO 114 N 3.63 0.74 0.04 3.23 0.13 -1.84 -1.73 132.00 136.20 1c7b h PRO 114 Ca 0.19 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 65.02 1c7b h PRO 114 Cb 0.56 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1c7b h PRO 114 CO 0.87 0.49 -1.23 0.00 -0.23 0.00 0.00 178.00 177.90 1c7b h ALA 115 N 1.44 0.37 0.00 -0.56 0.00 -1.94 -3.36 119.26 115.21 1c7b h ALA 115 Ca 0.38 -1.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 1c7b h ALA 115 Cb 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1c7b h ALA 115 CO -0.24 1.25 -0.79 0.93 0.00 0.00 0.00 179.25 180.39 1c7b h GLU 116 N 0.02 0.00 -3.15 0.00 3.07 -1.86 -3.40 114.58 109.26 1c7b h GLU 116 Ca -0.11 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.05 1c7b h GLU 116 Cb 1.88 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.75 1c7b h GLU 116 CO 0.14 0.32 3.24 0.34 -1.40 0.00 0.00 179.01 181.65 1c7b n PHE 117 N -3.04 2.72 -1.74 4.33 7.35 -0.69 -4.77 117.46 121.61 1c7b n PHE 117 Ca -0.02 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1c7b n PHE 117 Cb 0.72 -2.31 0.08 0.00 0.35 0.00 0.00 39.48 38.32 1c7b n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7b s THR 118 N 1.46 2.97 0.27 -2.13 -4.23 -1.26 -4.76 115.64 107.97 1c7b s THR 118 Ca 0.59 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1c7b s THR 118 Cb 0.17 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1c7b s THR 118 CO -0.07 -0.41 1.81 -0.65 -0.54 0.00 0.00 174.62 174.76 1c7b h PRO 119 N -0.95 0.83 -0.69 3.99 0.11 -1.99 0.16 132.00 133.47 1c7b h PRO 119 Ca -0.46 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1c7b h PRO 119 Cb 1.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1c7b h PRO 119 CO 0.62 0.55 0.13 0.00 -0.21 0.00 0.00 178.00 179.09 1c7b h ALA 120 N 1.53 0.92 -0.11 -0.75 0.00 -1.96 -1.17 119.26 117.71 1c7b h ALA 120 Ca 0.48 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1c7b h ALA 120 Cb 0.53 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c7b h ALA 120 CO -0.29 0.67 -0.71 0.28 0.00 0.00 0.00 179.25 179.21 1c7b h VAL 121 N 1.07 1.35 -0.41 0.00 2.07 -1.71 -1.51 116.25 117.11 1c7b h VAL 121 Ca 0.21 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.71 1c7b h VAL 121 Cb 0.42 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1c7b h VAL 121 CO 0.01 0.62 0.24 -0.74 0.02 0.00 0.00 177.57 177.72 1c7b h HIS 122 N 0.35 0.45 -0.49 1.57 6.17 -0.49 0.50 115.15 123.22 1c7b h HIS 122 Ca -0.03 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.02 1c7b h HIS 122 Cb 1.29 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 31.05 1c7b h HIS 122 CO 0.05 0.26 0.12 0.00 0.71 0.00 0.00 177.93 179.07 1c7b h ALA 123 N 1.18 0.65 -0.69 5.26 0.00 -0.99 -1.48 119.26 123.19 1c7b h ALA 123 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1c7b h ALA 123 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1c7b h ALA 123 CO -0.07 0.34 0.24 0.77 0.00 0.00 0.00 179.25 180.53 1c7b h SER 124 N 0.67 0.96 -0.51 0.00 0.02 -0.97 -1.75 113.55 111.97 1c7b h SER 124 Ca 0.15 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1c7b h SER 124 Cb 0.33 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1c7b h SER 124 CO 0.00 0.88 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.36 1c7b h LEU 125 N 1.01 1.02 -0.80 5.07 3.38 -0.67 -0.20 115.31 124.12 1c7b h LEU 125 Ca 0.23 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1c7b h LEU 125 Cb 0.25 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1c7b h LEU 125 CO -0.01 1.15 0.49 -0.78 0.09 0.00 0.00 178.44 179.38 1c7b h ASP 126 N 0.87 0.96 -0.66 -0.43 3.58 -1.04 0.12 116.42 119.82 1c7b h ASP 126 Ca 0.13 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 1c7b h ASP 126 Cb 0.71 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 1c7b h ASP 126 CO 0.05 0.74 0.08 0.11 -2.88 0.00 0.00 179.24 177.35 1c7b h LYS 127 N 1.10 1.11 -0.24 0.28 1.57 -1.12 -1.21 116.57 118.06 1c7b h LYS 127 Ca 0.29 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1c7b h LYS 127 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1c7b h LYS 127 CO -0.06 1.03 0.10 0.35 -0.57 0.00 0.00 179.45 180.30 1c7b h PHE 128 N 1.03 0.36 -0.09 -1.35 3.57 -0.36 -0.69 116.94 119.41 1c7b h PHE 128 Ca 0.20 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1c7b h PHE 128 Cb 0.47 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1c7b h PHE 128 CO 0.04 0.38 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.03 1c7b h LEU 129 N 0.23 0.19 -0.97 0.59 3.38 -0.68 -1.09 115.31 116.97 1c7b h LEU 129 Ca 0.08 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1c7b h LEU 129 Cb 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1c7b h LEU 129 CO -0.01 0.57 -0.02 0.00 0.09 0.00 0.00 178.44 179.07 1c7b h ALA 130 N 1.44 1.14 -0.38 1.53 0.00 -0.98 -1.35 119.26 120.66 1c7b h ALA 130 Ca 0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1c7b h ALA 130 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1c7b h ALA 130 CO 0.06 0.55 -0.09 1.03 0.00 0.00 0.00 179.25 180.80 1c7b h SER 131 N 0.68 0.73 -0.67 0.00 0.87 -0.18 -1.23 113.55 113.74 1c7b h SER 131 Ca 0.13 -0.36 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1c7b h SER 131 Cb 0.45 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1c7b h SER 131 CO 0.02 0.92 0.42 0.58 -0.53 0.00 0.00 176.83 178.25 1c7b h VAL 132 N 0.53 1.09 -0.71 2.23 2.07 -1.12 -0.99 116.25 119.35 1c7b h VAL 132 Ca 0.10 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1c7b h VAL 132 Cb 0.60 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1c7b h VAL 132 CO 0.04 0.15 0.29 0.28 0.02 0.00 0.00 177.57 178.35 1c7b h SER 133 N 0.83 0.97 -0.40 0.57 0.02 -1.09 -0.86 113.55 113.59 1c7b h SER 133 Ca 0.27 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1c7b h SER 133 Cb 0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1c7b h SER 133 CO -0.10 0.86 0.19 0.74 -1.14 0.00 0.00 176.83 177.37 1c7b h THR 134 N 1.03 1.18 -0.72 -2.27 2.02 -0.74 -2.23 112.91 111.17 1c7b h THR 134 Ca 0.24 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1c7b h THR 134 Cb 0.19 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1c7b h THR 134 CO -0.02 0.19 0.42 0.58 0.37 0.00 0.00 175.52 177.06 1c7b h VAL 135 N 0.50 1.21 0.00 3.16 2.07 -0.85 -2.29 116.25 120.05 1c7b h VAL 135 Ca 0.14 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1c7b h VAL 135 Cb 0.13 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1c7b h VAL 135 CO -0.02 0.22 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 1c7b h LEU 136 N 0.99 0.00 -2.56 2.57 3.38 -0.92 -2.79 115.31 115.98 1c7b h LEU 136 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1c7b h LEU 136 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1c7b h LEU 136 CO -0.05 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1c7b n THR 137 N -3.17 0.77 0.29 0.22 -2.24 -0.86 -4.59 114.28 104.71 1c7b n THR 137 Ca 0.00 -0.89 0.16 0.00 -2.27 0.00 0.00 64.05 61.06 1c7b n THR 137 Cb 0.32 0.68 0.62 0.00 -2.10 0.00 0.00 70.33 69.85 1c7b n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1c7b h SER 138 N 2.58 0.00 -0.40 3.42 4.64 -1.13 -2.92 113.55 119.74 1c7b h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c7b h SER 138 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1c7b h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1c7b n LYS 139 N -3.00 3.43 0.18 4.77 5.02 -1.26 -4.63 118.16 122.67 1c7b n LYS 139 Ca 0.01 -2.78 0.04 0.00 -2.02 0.00 0.00 58.31 53.56 1c7b n LYS 139 Cb 0.32 -1.84 0.34 0.00 -0.02 0.00 0.00 35.03 33.83 1c7b n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1c7b h TYR 140 N 2.65 0.00 0.00 2.13 -1.99 -1.84 -3.47 116.97 114.45 1c7b h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1c7b h TYR 140 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1c7b h TYR 140 CO 0.61 0.40 0.00 0.54 -0.00 0.00 0.00 178.16 179.71