#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic0 s LEU 2 N 0.00 4.42 0.73 7.52 1.43 -1.26 -5.07 118.68 126.44 3ic0 s LEU 2 Ca 0.00 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 3ic0 s LEU 2 Cb 0.00 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.49 3ic0 s LEU 2 CO 0.00 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 176.88 3ic0 s SER 3 N -0.42 4.94 0.20 2.29 1.04 -1.26 -4.89 113.70 115.60 3ic0 s SER 3 Ca 0.28 0.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 3ic0 s SER 3 Cb -0.17 -1.42 0.15 0.00 0.10 0.00 0.00 66.02 64.68 3ic0 s SER 3 CO 0.15 -1.58 1.86 -0.65 0.98 0.00 0.00 173.24 174.00 3ic0 h PRO 4 N -0.71 0.88 -0.74 4.02 0.11 -2.00 -1.48 132.00 132.06 3ic0 h PRO 4 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3ic0 h PRO 4 Cb 1.30 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3ic0 h PRO 4 CO 0.63 0.58 0.49 0.00 -0.21 0.00 0.00 178.00 179.49 3ic0 h ALA 5 N 1.27 1.57 -0.53 -0.75 0.00 -1.99 -1.91 119.26 116.92 3ic0 h ALA 5 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ic0 h ALA 5 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3ic0 h ALA 5 CO -0.07 0.35 0.30 -0.44 0.00 0.00 0.00 179.25 179.38 3ic0 h ASP 6 N 0.90 0.67 -0.58 0.00 3.32 -1.64 0.21 116.42 119.29 3ic0 h ASP 6 Ca 0.30 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3ic0 h ASP 6 Cb 0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3ic0 h ASP 6 CO -0.09 0.56 0.34 0.11 -1.72 0.00 0.00 179.24 178.45 3ic0 h LYS 7 N 0.72 0.80 0.22 3.56 1.57 -0.90 0.27 116.57 122.81 3ic0 h LYS 7 Ca 0.19 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ic0 h LYS 7 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3ic0 h LYS 7 CO -0.03 0.59 -0.19 1.15 -0.57 0.00 0.00 179.45 180.40 3ic0 h THR 8 N 0.79 0.58 -0.23 -0.16 2.02 -1.10 -0.34 112.91 114.47 3ic0 h THR 8 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3ic0 h THR 8 Cb 0.00 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3ic0 h THR 8 CO -0.04 0.00 -0.08 0.78 0.37 0.00 0.00 175.52 176.55 3ic0 h ASN 9 N -0.44 -0.29 -0.20 4.18 2.35 -0.12 -0.85 115.58 120.21 3ic0 h ASN 9 Ca -0.01 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3ic0 h ASN 9 Cb 0.40 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3ic0 h ASN 9 CO -0.03 -0.11 0.08 0.58 -1.65 0.00 0.00 177.43 176.31 3ic0 h VAL 10 N -0.04 1.16 -0.88 2.81 2.07 -0.28 -1.65 116.25 119.43 3ic0 h VAL 10 Ca 0.12 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3ic0 h VAL 10 Cb 0.22 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3ic0 h VAL 10 CO -0.26 0.16 0.52 0.11 0.02 0.00 0.00 177.57 178.11 3ic0 h LYS 11 N 0.17 1.21 -0.17 1.57 1.57 -0.85 -1.41 116.57 118.66 3ic0 h LYS 11 Ca 0.07 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3ic0 h LYS 11 Cb 0.17 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3ic0 h LYS 11 CO -0.01 0.86 0.02 0.00 -0.57 0.00 0.00 179.45 179.75 3ic0 h ALA 12 N 1.35 0.22 -0.02 3.86 0.00 -0.95 -0.82 119.26 122.90 3ic0 h ALA 12 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ic0 h ALA 12 Cb -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ic0 h ALA 12 CO -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.09 3ic0 h ALA 13 N 0.80 0.02 -0.06 0.00 0.00 -1.22 -3.13 119.26 115.67 3ic0 h ALA 13 Ca 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3ic0 h ALA 13 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ic0 h ALA 13 CO 0.01 -0.29 -0.35 2.35 0.00 0.00 0.00 179.25 180.97 3ic0 h TRP 14 N -0.34 0.12 0.00 0.00 2.91 -1.34 -1.08 115.95 116.22 3ic0 h TRP 14 Ca 0.00 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3ic0 h TRP 14 Cb 0.38 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 3ic0 h TRP 14 CO 0.05 0.45 -0.03 0.78 -1.03 0.00 0.00 178.44 178.66 3ic0 h GLY 15 N 1.10 0.00 2.00 2.65 0.00 -1.12 -1.37 103.07 106.33 3ic0 h GLY 15 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3ic0 h GLY 15 CO 0.05 0.00 -0.49 0.50 0.00 0.00 0.00 176.54 176.60 3ic0 h LYS 16 N 0.00 0.00 -0.27 4.80 1.79 -1.14 -3.15 116.57 118.60 3ic0 h LYS 16 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3ic0 h LYS 16 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3ic0 h LYS 16 CO 0.00 0.49 0.14 0.28 -1.08 0.00 0.00 179.45 179.29 3ic0 h VAL 17 N 0.00 1.13 0.00 0.50 2.07 -1.28 -3.46 116.25 115.21 3ic0 h VAL 17 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3ic0 h VAL 17 Cb 1.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3ic0 h VAL 17 CO 0.06 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.40 3ic0 n GLY 18 N -0.90 2.72 0.00 2.17 0.00 -1.19 -0.21 105.19 107.78 3ic0 n GLY 18 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3ic0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic0 n ALA 19 N 7.85 1.43 1.46 4.61 0.00 -1.26 -0.67 120.51 133.93 3ic0 n ALA 19 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3ic0 n ALA 19 Cb 0.00 -1.04 0.68 0.00 0.00 0.00 0.00 19.45 19.09 3ic0 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic0 n HIS 20 N -1.16 0.00 -0.37 0.00 -0.00 0.71 -4.40 115.22 109.99 3ic0 n HIS 20 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 3ic0 n HIS 20 Cb 0.01 -0.20 -0.09 0.00 -0.00 0.00 0.00 29.99 29.72 3ic0 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ic0 n ALA 21 N -1.04 -0.56 0.06 -1.41 0.00 0.15 -0.66 120.51 117.05 3ic0 n ALA 21 Ca 0.15 0.75 -0.12 0.00 0.00 0.00 0.00 53.44 54.22 3ic0 n ALA 21 Cb 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3ic0 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ic0 h GLY 22 N 0.00 -0.12 1.01 0.00 0.00 -1.82 0.41 103.07 102.55 3ic0 h GLY 22 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ic0 h GLY 22 CO -0.83 -0.09 0.37 -2.09 0.00 0.00 0.00 176.54 173.90 3ic0 h GLU 23 N -0.15 0.73 -0.39 4.80 4.81 -1.65 -0.80 114.58 121.93 3ic0 h GLU 23 Ca 0.02 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3ic0 h GLU 23 Cb 0.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3ic0 h GLU 23 CO -0.06 0.48 -0.34 1.88 -0.73 0.00 0.00 179.01 180.25 3ic0 h TYR 24 N 0.75 1.06 -0.30 0.92 -1.99 -0.71 -0.94 116.97 115.75 3ic0 h TYR 24 Ca 0.20 -0.29 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 3ic0 h TYR 24 Cb -0.09 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.40 3ic0 h TYR 24 CO -0.04 1.10 0.17 0.78 -0.00 0.00 0.00 178.16 180.18 3ic0 h GLY 25 N 0.85 0.45 0.99 3.88 0.00 -0.77 0.64 103.07 109.11 3ic0 h GLY 25 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ic0 h GLY 25 CO 0.08 0.19 0.24 0.00 0.00 0.00 0.00 176.54 177.05 3ic0 h ALA 26 N 1.05 0.47 -0.89 3.60 0.00 -1.02 -1.89 119.26 120.59 3ic0 h ALA 26 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ic0 h ALA 26 Cb 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3ic0 h ALA 26 CO -0.02 -0.05 0.59 1.49 0.00 0.00 0.00 179.25 181.26 3ic0 h GLU 27 N 0.50 1.15 -0.72 0.00 4.81 -0.79 0.46 114.58 119.99 3ic0 h GLU 27 Ca 0.14 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3ic0 h GLU 27 Cb -0.03 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 3ic0 h GLU 27 CO -0.03 0.76 0.35 0.00 -0.73 0.00 0.00 179.01 179.36 3ic0 h ALA 28 N 1.34 0.92 -0.15 2.92 0.00 -0.45 -0.63 119.26 123.22 3ic0 h ALA 28 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ic0 h ALA 28 Cb -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ic0 h ALA 28 CO -0.09 0.48 -0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3ic0 h LEU 29 N 1.00 0.27 -0.73 0.00 3.38 -1.01 -1.10 115.31 117.12 3ic0 h LEU 29 Ca 0.25 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ic0 h LEU 29 Cb 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3ic0 h LEU 29 CO -0.03 0.52 0.45 -0.08 0.09 0.00 0.00 178.44 179.39 3ic0 h GLU 30 N 0.01 0.86 -0.90 1.13 4.81 -0.70 0.23 114.58 120.01 3ic0 h GLU 30 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ic0 h GLU 30 Cb 0.39 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3ic0 h GLU 30 CO 0.01 0.57 0.56 0.00 -0.73 0.00 0.00 179.01 179.41 3ic0 h ARG 31 N 0.88 1.21 -0.13 1.92 3.08 -0.97 -1.09 114.38 119.29 3ic0 h ARG 31 Ca 0.29 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3ic0 h ARG 31 Cb 0.03 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3ic0 h ARG 31 CO -0.12 0.84 -0.01 1.98 -1.07 0.00 0.00 179.97 181.59 3ic0 h MET 32 N 1.23 0.23 -0.76 0.04 4.05 0.09 0.87 114.93 120.69 3ic0 h MET 32 Ca 0.32 -0.08 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 3ic0 h MET 32 Cb -0.08 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.64 3ic0 h MET 32 CO -0.06 0.48 0.44 0.74 0.23 0.00 0.00 176.91 178.74 3ic0 h PHE 33 N -0.05 0.81 -0.01 1.39 0.04 -0.35 0.27 116.94 119.02 3ic0 h PHE 33 Ca 0.03 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.58 3ic0 h PHE 33 Cb 0.39 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ic0 h PHE 33 CO 0.04 0.38 -0.99 -0.07 -0.60 0.00 0.00 178.31 177.07 3ic0 h LEU 34 N 0.79 0.80 0.08 1.54 3.38 -1.10 -3.07 115.31 117.72 3ic0 h LEU 34 Ca 0.34 -0.63 -0.25 0.00 0.09 0.00 0.00 57.88 57.43 3ic0 h LEU 34 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ic0 h LEU 34 CO -0.20 1.43 -1.19 0.28 0.09 0.00 0.00 178.44 178.85 3ic0 h SER 35 N 0.36 0.25 -2.53 -0.43 0.02 -0.55 -3.40 113.55 107.27 3ic0 h SER 35 Ca -0.11 -0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 59.97 3ic0 h SER 35 Cb 1.63 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.70 3ic0 h SER 35 CO 0.19 1.22 -0.85 0.49 -1.14 0.00 0.00 176.83 176.74 3ic0 n PHE 36 N -3.44 0.68 -0.19 3.45 3.72 0.91 -5.00 117.46 117.58 3ic0 n PHE 36 Ca -0.06 -3.69 0.27 0.00 -0.05 0.00 0.00 57.45 53.91 3ic0 n PHE 36 Cb 1.00 -0.12 0.68 0.00 -0.94 0.00 0.00 39.48 40.09 3ic0 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ic0 h PRO 37 N 5.29 0.08 -0.07 -1.08 0.11 -1.71 -0.75 132.00 133.88 3ic0 h PRO 37 Ca 0.21 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.33 3ic0 h PRO 37 Cb 0.84 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3ic0 h PRO 37 CO 0.51 0.06 0.12 1.79 -0.21 0.00 0.00 178.00 180.27 3ic0 h THR 38 N 0.09 0.31 0.00 -1.15 1.35 -1.92 -0.93 112.91 110.66 3ic0 h THR 38 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 3ic0 h THR 38 Cb 1.59 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3ic0 h THR 38 CO -0.05 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.93 3ic0 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.46 -2.94 112.91 116.69 3ic0 h THR 39 Ca 0.03 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 3ic0 h THR 39 Cb 0.28 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3ic0 h THR 39 CO -0.00 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 175.33 3ic0 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.35 -2.71 116.57 118.80 3ic0 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ic0 h LYS 40 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3ic0 h LYS 40 CO 0.00 0.05 0.00 0.25 -0.57 0.00 0.00 179.45 179.18 3ic0 n THR 41 N -3.29 1.39 1.20 -0.16 -2.24 -1.11 -0.41 114.28 109.65 3ic0 n THR 41 Ca -0.01 0.54 0.13 0.00 -2.27 0.00 0.00 64.05 62.43 3ic0 n THR 41 Cb 0.22 -1.51 0.36 0.00 -2.10 0.00 0.00 70.33 67.30 3ic0 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ic0 n TYR 42 N -1.88 0.00 -2.57 4.78 4.01 -1.02 -4.02 117.16 116.45 3ic0 n TYR 42 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3ic0 n TYR 42 Cb 0.06 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 3ic0 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ic0 n PHE 43 N -0.84 2.06 0.10 -0.72 3.01 0.45 -4.93 117.46 116.60 3ic0 n PHE 43 Ca 0.11 -2.81 0.19 0.00 1.01 0.00 0.00 57.45 55.96 3ic0 n PHE 43 Cb 0.34 -0.26 0.76 0.00 -0.01 0.00 0.00 39.48 40.31 3ic0 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3ic0 h PRO 44 N 2.76 0.00 -0.01 -1.08 0.13 -1.68 -1.05 132.00 131.07 3ic0 h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ic0 h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ic0 h PRO 44 CO 0.61 0.00 -0.50 -2.39 -0.23 0.00 0.00 178.00 175.49 3ic0 n HIS 45 N -3.91 0.00 -2.27 1.56 1.44 -1.26 -4.96 115.22 105.81 3ic0 n HIS 45 Ca 0.06 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.45 3ic0 n HIS 45 Cb 0.53 -0.05 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 3ic0 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3ic0 s PHE 46 N -2.61 3.34 -0.46 -1.40 0.40 -0.40 -5.00 117.98 111.85 3ic0 s PHE 46 Ca 0.18 1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 57.76 3ic0 s PHE 46 Cb 0.18 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.89 3ic0 s PHE 46 CO 0.62 -0.59 0.70 0.34 0.70 0.00 0.00 175.22 176.99 3ic0 s ASP 47 N -3.06 6.34 -0.14 1.36 2.15 -1.26 -4.92 116.67 117.15 3ic0 s ASP 47 Ca 0.60 -0.33 0.16 0.00 0.43 0.00 0.00 52.55 53.41 3ic0 s ASP 47 Cb -0.12 -2.34 0.64 0.00 -0.30 0.00 0.00 42.92 40.80 3ic0 s ASP 47 CO 0.34 -0.86 1.56 0.18 -0.17 0.00 0.00 175.17 176.21 3ic0 n LEU 48 N 6.47 4.52 -4.75 -1.34 4.77 -1.26 -4.28 117.00 121.14 3ic0 n LEU 48 Ca -0.01 -2.64 -0.32 0.00 -0.03 0.00 0.00 56.01 53.01 3ic0 n LEU 48 Cb 0.48 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3ic0 n LEU 48 CO 0.56 0.73 0.73 -0.94 -1.33 0.00 0.00 177.39 177.14 3ic0 s SER 49 N -1.16 4.40 0.22 -1.43 1.04 -1.26 -4.88 113.70 110.63 3ic0 s SER 49 Ca 0.46 2.03 -0.32 0.00 0.48 0.00 0.00 55.95 58.60 3ic0 s SER 49 Cb 0.32 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.76 3ic0 s SER 49 CO 0.18 -2.11 1.44 1.57 0.98 0.00 0.00 173.24 175.30 3ic0 n HIS 50 N -3.13 2.18 -0.99 5.02 -0.00 -1.26 -1.15 115.22 115.88 3ic0 n HIS 50 Ca 0.11 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.69 3ic0 n HIS 50 Cb 0.52 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 3ic0 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ic0 n GLY 51 N 2.44 0.95 3.53 1.57 0.00 -1.26 -4.99 105.19 107.42 3ic0 n GLY 51 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 3ic0 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ic0 n SER 52 N -0.00 0.49 0.20 1.61 2.88 -0.30 -4.87 113.62 113.62 3ic0 n SER 52 Ca 0.00 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.79 3ic0 n SER 52 Cb 0.00 -1.17 0.13 0.00 -0.75 0.00 0.00 64.21 62.42 3ic0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ic0 h ALA 53 N 1.83 0.91 -0.10 -1.46 0.00 -1.90 -2.73 119.26 115.81 3ic0 h ALA 53 Ca -0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3ic0 h ALA 53 Cb 1.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ic0 h ALA 53 CO 0.60 0.17 -0.05 0.37 0.00 0.00 0.00 179.25 180.34 3ic0 h GLN 54 N 0.00 0.21 -0.68 0.00 4.15 -1.89 -0.50 115.11 116.39 3ic0 h GLN 54 Ca -0.00 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 3ic0 h GLN 54 Cb 1.10 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 3ic0 h GLN 54 CO 0.02 0.58 0.10 0.28 -1.93 0.00 0.00 178.83 177.87 3ic0 h VAL 55 N -0.17 1.27 -0.63 2.39 2.07 -1.74 0.54 116.25 119.98 3ic0 h VAL 55 Ca 0.02 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 3ic0 h VAL 55 Cb 0.52 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3ic0 h VAL 55 CO 0.02 0.40 0.24 0.50 0.02 0.00 0.00 177.57 178.75 3ic0 h LYS 56 N 1.05 0.95 -0.25 1.57 3.64 -1.49 0.51 116.57 122.55 3ic0 h LYS 56 Ca 0.20 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3ic0 h LYS 56 Cb 0.46 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3ic0 h LYS 56 CO 0.01 0.81 0.02 0.78 -2.27 0.00 0.00 179.45 178.81 3ic0 h GLY 57 N 0.89 0.46 1.04 5.01 0.00 -0.76 -2.88 103.07 106.82 3ic0 h GLY 57 Ca 0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3ic0 h GLY 57 CO -0.02 0.30 0.05 0.84 0.00 0.00 0.00 176.54 177.71 3ic0 h HIS 58 N 0.21 1.05 -0.59 5.60 -0.00 -0.65 -2.88 115.15 117.91 3ic0 h HIS 58 Ca 0.07 -0.16 0.08 0.00 -0.00 0.00 0.00 60.37 60.36 3ic0 h HIS 58 Cb 0.37 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.46 3ic0 h HIS 58 CO 0.03 0.93 0.39 0.78 -0.00 0.00 0.00 177.93 180.06 3ic0 h GLY 59 N 0.87 0.62 1.71 5.26 0.00 0.04 -0.93 103.07 110.65 3ic0 h GLY 59 Ca 0.17 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3ic0 h GLY 59 CO 0.02 0.13 -0.53 1.70 0.00 0.00 0.00 176.54 177.86 3ic0 h LYS 60 N 0.47 0.31 -0.32 4.80 3.64 -1.29 -1.79 116.57 122.39 3ic0 h LYS 60 Ca 0.26 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3ic0 h LYS 60 Cb 0.42 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3ic0 h LYS 60 CO -0.07 0.76 0.07 0.87 -2.27 0.00 0.00 179.45 178.80 3ic0 h LYS 61 N 0.24 0.52 -0.18 1.90 1.79 -1.12 -2.17 116.57 117.55 3ic0 h LYS 61 Ca 0.01 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3ic0 h LYS 61 Cb 1.01 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 3ic0 h LYS 61 CO 0.09 0.60 0.09 0.28 -1.08 0.00 0.00 179.45 179.42 3ic0 h VAL 62 N 0.36 1.12 -0.72 0.50 2.07 -1.23 -1.40 116.25 116.95 3ic0 h VAL 62 Ca 0.10 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3ic0 h VAL 62 Cb 0.32 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3ic0 h VAL 62 CO 0.00 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.89 3ic0 h ALA 63 N 0.97 0.97 0.00 1.67 0.00 -1.30 -1.01 119.26 120.57 3ic0 h ALA 63 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3ic0 h ALA 63 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ic0 h ALA 63 CO -0.01 0.67 -0.38 -0.44 0.00 0.00 0.00 179.25 179.09 3ic0 h ASP 64 N 1.09 0.00 -0.48 0.00 3.32 -1.32 0.36 116.42 119.38 3ic0 h ASP 64 Ca 0.23 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 3ic0 h ASP 64 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ic0 h ASP 64 CO -0.00 0.38 -0.20 0.00 -1.72 0.00 0.00 179.24 177.70 3ic0 h ALA 65 N 1.62 0.72 -0.67 3.45 0.00 -0.35 0.25 119.26 124.27 3ic0 h ALA 65 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3ic0 h ALA 65 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ic0 h ALA 65 CO 0.05 0.67 0.15 -0.07 0.00 0.00 0.00 179.25 180.05 3ic0 h LEU 66 N 0.86 1.04 -0.25 0.00 3.38 -0.22 0.16 115.31 120.28 3ic0 h LEU 66 Ca 0.12 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ic0 h LEU 66 Cb 0.77 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ic0 h LEU 66 CO 0.06 1.01 0.06 0.74 0.09 0.00 0.00 178.44 180.40 3ic0 h THR 67 N 1.02 0.89 -0.68 0.22 2.02 0.05 0.47 112.91 116.89 3ic0 h THR 67 Ca 0.21 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3ic0 h THR 67 Cb 0.39 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3ic0 h THR 67 CO 0.01 0.03 0.34 -1.13 0.37 0.00 0.00 175.52 175.14 3ic0 h ASN 68 N 0.15 0.86 -0.64 4.18 -1.24 -0.25 -2.13 115.58 116.51 3ic0 h ASN 68 Ca 0.11 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 3ic0 h ASN 68 Cb 0.11 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3ic0 h ASN 68 CO -0.14 0.72 0.05 0.00 -1.29 0.00 0.00 177.43 176.77 3ic0 h ALA 69 N 1.41 0.86 -0.51 1.57 0.00 0.08 -2.30 119.26 120.39 3ic0 h ALA 69 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ic0 h ALA 69 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ic0 h ALA 69 CO -0.03 0.68 0.33 0.28 0.00 0.00 0.00 179.25 180.50 3ic0 h VAL 70 N 1.02 1.14 -0.90 0.00 2.07 -0.53 -0.64 116.25 118.41 3ic0 h VAL 70 Ca 0.19 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3ic0 h VAL 70 Cb 0.51 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3ic0 h VAL 70 CO 0.02 0.14 0.59 0.00 0.02 0.00 0.00 177.57 178.34 3ic0 h ALA 71 N 1.17 1.51 -0.90 1.67 0.00 -1.18 -2.71 119.26 118.83 3ic0 h ALA 71 Ca 0.19 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.44 3ic0 h ALA 71 Cb -0.05 -0.27 -0.35 0.00 0.00 0.00 0.00 17.79 17.12 3ic0 h ALA 71 CO -0.04 0.35 0.20 0.72 0.00 0.00 0.00 179.25 180.48 3ic0 n HIS 72 N -4.49 3.04 0.13 0.00 8.25 -0.77 -4.79 115.22 116.59 3ic0 n HIS 72 Ca 0.14 -2.71 0.19 0.00 -0.26 0.00 0.00 57.72 55.07 3ic0 n HIS 72 Cb 0.20 -1.01 0.77 0.00 1.12 0.00 0.00 29.99 31.07 3ic0 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3ic0 h VAL 73 N 1.47 0.50 -0.01 1.59 3.04 -0.81 -0.77 116.25 121.27 3ic0 h VAL 73 Ca 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 3ic0 h VAL 73 Cb 1.10 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3ic0 h VAL 73 CO 1.26 0.00 -0.30 0.47 -1.01 0.00 0.00 177.57 178.00 3ic0 n ASP 74 N -3.89 1.22 -2.67 3.17 8.00 -1.26 -4.37 116.55 116.75 3ic0 n ASP 74 Ca 0.05 -1.01 -0.09 0.00 0.71 0.00 0.00 54.79 54.45 3ic0 n ASP 74 Cb 0.47 0.20 0.04 0.00 -0.02 0.00 0.00 41.12 41.80 3ic0 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ic0 n ASP 75 N -0.52 1.13 -0.22 -2.24 2.03 -0.32 -4.99 116.55 111.43 3ic0 n ASP 75 Ca 0.12 -2.67 -0.08 0.00 0.52 0.00 0.00 54.79 52.67 3ic0 n ASP 75 Cb 0.37 -0.39 0.03 0.00 -0.72 0.00 0.00 41.12 40.41 3ic0 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3ic0 h MET 76 N 2.90 0.98 -0.91 -0.67 2.86 -1.69 -2.50 114.93 115.91 3ic0 h MET 76 Ca -0.12 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.35 3ic0 h MET 76 Cb 1.19 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 3ic0 h MET 76 CO 0.44 0.91 0.59 -1.35 1.06 0.00 0.00 176.91 178.55 3ic0 h PRO 77 N 0.90 0.97 -0.10 -0.22 0.11 -1.94 0.13 132.00 131.84 3ic0 h PRO 77 Ca 0.19 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 3ic0 h PRO 77 Cb 0.37 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.27 3ic0 h PRO 77 CO 0.00 0.64 -0.47 -0.91 -0.21 0.00 0.00 178.00 177.05 3ic0 h ASN 78 N 1.00 0.59 -0.12 -2.05 2.35 -1.95 -2.44 115.58 112.96 3ic0 h ASN 78 Ca 0.40 -0.64 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 3ic0 h ASN 78 Cb 0.25 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3ic0 h ASN 78 CO -0.16 1.13 -0.14 0.00 -1.65 0.00 0.00 177.43 176.61 3ic0 h ALA 79 N 0.47 1.23 -0.57 -0.83 0.00 -1.00 -3.13 119.26 115.43 3ic0 h ALA 79 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ic0 h ALA 79 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ic0 h ALA 79 CO 0.10 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.13 3ic0 n LEU 80 N -4.19 4.25 -0.33 0.00 4.77 0.40 -4.64 117.00 117.26 3ic0 n LEU 80 Ca 0.00 -2.37 0.06 0.00 -0.03 0.00 0.00 56.01 53.67 3ic0 n LEU 80 Cb 0.33 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 41.14 3ic0 n LEU 80 CO 0.41 0.81 1.18 0.77 -1.33 0.00 0.00 177.39 179.23 3ic0 h SER 81 N 3.52 0.79 -0.83 -1.43 4.64 -1.38 0.19 113.55 119.04 3ic0 h SER 81 Ca 0.00 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3ic0 h SER 81 Cb 1.27 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3ic0 h SER 81 CO 0.16 0.42 0.42 0.00 -0.87 0.00 0.00 176.83 176.96 3ic0 h ALA 82 N 1.52 1.07 0.00 5.18 0.00 -1.85 -0.08 119.26 125.10 3ic0 h ALA 82 Ca 0.46 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3ic0 h ALA 82 Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ic0 h ALA 82 CO -0.28 0.61 -0.42 -0.07 0.00 0.00 0.00 179.25 179.10 3ic0 h LEU 83 N 1.17 0.00 -0.21 0.00 3.38 -1.09 -2.26 115.31 116.30 3ic0 h LEU 83 Ca 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3ic0 h LEU 83 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ic0 h LEU 83 CO -0.04 0.42 -0.27 -1.28 0.09 0.00 0.00 178.44 177.36 3ic0 h SER 84 N 0.00 0.60 -0.64 -0.43 0.87 -0.25 0.37 113.55 114.07 3ic0 h SER 84 Ca -0.00 -0.50 0.12 0.00 -1.23 0.00 0.00 61.79 60.18 3ic0 h SER 84 Cb 0.77 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.47 3ic0 h SER 84 CO 0.05 0.98 0.14 0.44 -0.53 0.00 0.00 176.83 177.92 3ic0 h ASP 85 N 0.24 0.01 0.53 6.23 3.32 -0.73 0.85 116.42 126.87 3ic0 h ASP 85 Ca 0.03 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3ic0 h ASP 85 Cb 0.83 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.55 3ic0 h ASP 85 CO 0.06 0.00 -0.26 0.25 -1.72 0.00 0.00 179.24 177.58 3ic0 h LEU 86 N 0.27 -0.61 -0.42 1.55 5.85 -1.17 -0.88 115.31 119.90 3ic0 h LEU 86 Ca 0.34 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 3ic0 h LEU 86 Cb 0.53 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ic0 h LEU 86 CO -0.43 -0.23 -0.74 0.45 -0.34 0.00 0.00 178.44 177.14 3ic0 h HIS 87 N -1.05 0.45 0.03 1.25 3.86 -0.78 0.32 115.15 119.24 3ic0 h HIS 87 Ca -0.07 -0.21 -0.36 0.00 -1.16 0.00 0.00 60.37 58.57 3ic0 h HIS 87 Cb 0.62 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 3ic0 h HIS 87 CO 0.01 0.96 -2.02 0.00 0.86 0.00 0.00 177.93 177.74 3ic0 n ALA 88 N -2.49 1.04 0.07 2.45 0.00 0.28 -1.17 120.51 120.69 3ic0 n ALA 88 Ca -0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 53.44 52.40 3ic0 n ALA 88 Cb 0.71 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 3ic0 n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ic0 h HIS 89 N -0.54 0.64 0.00 0.00 3.86 -1.37 -3.32 115.15 114.42 3ic0 h HIS 89 Ca -0.51 -0.47 -0.03 0.00 -1.16 0.00 0.00 60.37 58.21 3ic0 h HIS 89 Cb 1.69 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 30.13 3ic0 h HIS 89 CO 0.03 1.37 -0.83 1.17 0.86 0.00 0.00 177.93 180.53 3ic0 n LYS 90 N -4.04 0.50 0.18 2.45 4.81 -0.37 -4.60 118.16 117.09 3ic0 n LYS 90 Ca -0.15 0.38 0.06 0.00 -0.87 0.00 0.00 58.31 57.73 3ic0 n LYS 90 Cb 0.89 -1.57 0.26 0.00 0.02 0.00 0.00 35.03 34.62 3ic0 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3ic0 h LEU 91 N -1.00 0.00 -1.33 3.14 3.38 -0.51 -3.48 115.31 115.51 3ic0 h LEU 91 Ca -0.04 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.52 3ic0 h LEU 91 Cb 0.80 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.62 3ic0 h LEU 91 CO -0.02 0.36 -0.76 0.54 0.09 0.00 0.00 178.44 178.64 3ic0 n ARG 92 N -3.35 -6.14 -2.16 1.13 1.74 -0.31 -4.90 116.66 102.66 3ic0 n ARG 92 Ca 0.01 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 3ic0 n ARG 92 Cb 0.57 -5.57 -0.03 0.00 -1.02 0.00 0.00 32.46 26.41 3ic0 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ic0 s VAL 93 N -3.43 3.29 0.15 1.55 1.01 -0.62 -4.95 120.40 117.41 3ic0 s VAL 93 Ca 0.31 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 3ic0 s VAL 93 Cb -0.15 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 3ic0 s VAL 93 CO 0.78 0.07 1.51 -0.62 0.00 0.00 0.00 175.10 176.84 3ic0 s ASP 94 N 1.12 6.67 0.52 3.32 -1.08 -1.26 -4.88 116.67 121.08 3ic0 s ASP 94 Ca 0.65 2.52 0.31 0.00 -0.52 0.00 0.00 52.55 55.51 3ic0 s ASP 94 Cb -0.37 -2.59 1.45 0.00 -1.46 0.00 0.00 42.92 39.95 3ic0 s ASP 94 CO 0.30 -0.77 1.84 -0.65 0.52 0.00 0.00 175.17 176.41 3ic0 h PRO 95 N 6.80 0.07 -0.90 4.34 0.11 -1.96 -1.08 132.00 139.38 3ic0 h PRO 95 Ca -0.42 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.72 3ic0 h PRO 95 Cb 1.21 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3ic0 h PRO 95 CO 0.90 0.05 0.59 -0.24 -0.21 0.00 0.00 178.00 179.09 3ic0 h VAL 96 N 0.07 1.15 -0.34 3.15 3.04 -2.02 -1.66 116.25 119.64 3ic0 h VAL 96 Ca 0.51 -0.39 0.05 0.00 -1.01 0.00 0.00 66.70 65.86 3ic0 h VAL 96 Cb 1.89 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 3ic0 h VAL 96 CO -0.05 0.21 0.23 0.78 -1.01 0.00 0.00 177.57 177.72 3ic0 h ASN 97 N 1.12 0.22 -0.15 3.17 2.35 -1.57 -0.90 115.58 119.82 3ic0 h ASN 97 Ca 0.36 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.03 3ic0 h ASN 97 Cb 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3ic0 h ASN 97 CO -0.11 0.15 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.41 3ic0 h PHE 98 N 0.25 0.58 -0.39 1.19 -1.00 -1.42 -1.41 116.94 114.76 3ic0 h PHE 98 Ca 0.15 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 3ic0 h PHE 98 Cb 0.28 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3ic0 h PHE 98 CO -0.00 0.66 -0.10 0.87 -1.61 0.00 0.00 178.31 178.13 3ic0 h LYS 99 N 0.49 0.67 -0.16 1.51 1.57 -1.18 0.13 116.57 119.60 3ic0 h LYS 99 Ca 0.09 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3ic0 h LYS 99 Cb 0.54 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3ic0 h LYS 99 CO 0.03 0.76 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.52 3ic0 h LEU 100 N 0.61 0.34 -0.70 2.94 3.38 -1.01 -1.24 115.31 119.64 3ic0 h LEU 100 Ca 0.11 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3ic0 h LEU 100 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ic0 h LEU 100 CO 0.03 0.68 -0.06 0.25 0.09 0.00 0.00 178.44 179.42 3ic0 h LEU 101 N 0.00 0.93 -0.46 1.67 5.85 -1.22 -1.09 115.31 121.00 3ic0 h LEU 101 Ca 0.04 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ic0 h LEU 101 Cb 0.55 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ic0 h LEU 101 CO 0.02 1.02 0.29 0.28 -0.34 0.00 0.00 178.44 179.71 3ic0 h SER 102 N 0.85 0.54 -0.14 1.25 0.02 -0.88 0.16 113.55 115.34 3ic0 h SER 102 Ca 0.14 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3ic0 h SER 102 Cb 0.59 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3ic0 h SER 102 CO 0.04 0.42 0.06 -0.74 -1.14 0.00 0.00 176.83 175.46 3ic0 h HIS 103 N 0.61 0.10 -0.03 3.45 -0.00 -1.09 -1.17 115.15 117.01 3ic0 h HIS 103 Ca 0.16 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 3ic0 h HIS 103 Cb -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3ic0 h HIS 103 CO -0.04 0.06 -0.06 0.00 -0.00 0.00 0.00 177.93 177.89 3ic0 h LEU 105 N 0.05 0.88 -0.50 0.00 3.38 -0.20 -1.45 115.31 117.46 3ic0 h LEU 105 Ca 0.01 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 3ic0 h LEU 105 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ic0 h LEU 105 CO 0.01 1.17 -0.06 -0.07 0.09 0.00 0.00 178.44 179.57 3ic0 h LEU 106 N 0.60 0.92 -0.90 1.67 3.38 -0.52 0.59 115.31 121.05 3ic0 h LEU 106 Ca 0.05 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ic0 h LEU 106 Cb 0.92 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3ic0 h LEU 106 CO 0.08 1.04 0.60 0.58 0.09 0.00 0.00 178.44 180.83 3ic0 h VAL 107 N 0.79 1.23 -0.43 1.22 2.07 -0.59 -0.36 116.25 120.17 3ic0 h VAL 107 Ca 0.13 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ic0 h VAL 107 Cb 0.60 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3ic0 h VAL 107 CO 0.04 0.22 0.05 0.74 0.02 0.00 0.00 177.57 178.64 3ic0 h THR 108 N 1.22 1.25 -0.71 2.57 2.02 -0.81 -1.43 112.91 117.02 3ic0 h THR 108 Ca 0.33 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 3ic0 h THR 108 Cb -0.14 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3ic0 h THR 108 CO -0.07 0.32 0.19 -0.07 0.37 0.00 0.00 175.52 176.26 3ic0 h LEU 109 N 0.58 1.06 -0.84 2.58 3.38 -0.53 -2.62 115.31 118.93 3ic0 h LEU 109 Ca 0.13 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3ic0 h LEU 109 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3ic0 h LEU 109 CO 0.01 1.01 0.12 0.00 0.09 0.00 0.00 178.44 179.67 3ic0 h ALA 110 N 1.12 1.05 0.00 1.53 0.00 -0.82 0.64 119.26 122.78 3ic0 h ALA 110 Ca 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ic0 h ALA 110 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ic0 h ALA 110 CO -0.00 0.62 -0.22 0.00 0.00 0.00 0.00 179.25 179.65 3ic0 h ALA 111 N 1.19 1.03 0.00 0.00 0.00 -1.01 -3.31 119.26 117.17 3ic0 h ALA 111 Ca 0.19 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3ic0 h ALA 111 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3ic0 h ALA 111 CO 0.01 0.27 -1.83 0.72 0.00 0.00 0.00 179.25 178.41 3ic0 n HIS 112 N -3.40 0.00 -2.90 0.00 -0.00 -1.01 -4.76 115.22 103.16 3ic0 n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 3ic0 n HIS 112 Cb 0.42 -0.56 -0.03 0.00 -0.00 0.00 0.00 29.99 29.81 3ic0 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3ic0 n LEU 113 N -2.36 4.33 -0.26 2.41 4.77 0.22 -4.92 117.00 121.20 3ic0 n LEU 113 Ca -0.17 -5.59 0.07 0.00 -0.03 0.00 0.00 56.01 50.29 3ic0 n LEU 113 Cb 0.79 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.60 3ic0 n LEU 113 CO 0.28 2.34 0.97 1.55 -1.33 0.00 0.00 177.39 181.20 3ic0 h PRO 114 N 2.94 0.32 -0.63 3.23 0.13 -1.76 -0.51 132.00 135.71 3ic0 h PRO 114 Ca 0.15 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3ic0 h PRO 114 Cb 0.57 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 3ic0 h PRO 114 CO 0.81 0.21 0.17 0.00 -0.23 0.00 0.00 178.00 178.96 3ic0 h ALA 115 N 1.61 0.82 -0.06 -0.56 0.00 -1.93 -3.15 119.26 116.01 3ic0 h ALA 115 Ca 0.44 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3ic0 h ALA 115 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ic0 h ALA 115 CO -0.49 0.52 -0.66 0.93 0.00 0.00 0.00 179.25 179.55 3ic0 h GLU 116 N 0.91 0.24 -3.59 0.00 4.39 -1.72 -3.39 114.58 111.41 3ic0 h GLU 116 Ca 0.20 -0.18 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 3ic0 h GLU 116 Cb 0.33 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3ic0 h GLU 116 CO -0.00 0.81 3.33 0.34 -1.16 0.00 0.00 179.01 182.33 3ic0 n PHE 117 N -3.83 3.10 -1.94 4.33 7.35 -0.29 -4.76 117.46 121.41 3ic0 n PHE 117 Ca -0.03 -3.01 -0.30 0.00 -0.76 0.00 0.00 57.45 53.36 3ic0 n PHE 117 Cb 0.66 -2.49 0.04 0.00 0.35 0.00 0.00 39.48 38.03 3ic0 n PHE 117 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3ic0 s THR 118 N 2.61 3.64 0.17 -2.13 -1.32 -1.26 -4.79 115.64 112.56 3ic0 s THR 118 Ca 0.55 0.47 -0.14 0.00 -1.21 0.00 0.00 61.69 61.35 3ic0 s THR 118 Cb 0.15 -3.52 0.08 0.00 -1.51 0.00 0.00 72.50 67.70 3ic0 s THR 118 CO -0.08 -0.66 1.73 -0.65 -2.21 0.00 0.00 174.62 172.75 3ic0 h PRO 119 N -0.56 0.24 -0.55 7.08 0.11 -1.99 0.22 132.00 136.54 3ic0 h PRO 119 Ca -0.45 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3ic0 h PRO 119 Cb 1.25 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3ic0 h PRO 119 CO 0.63 0.16 0.28 0.00 -0.21 0.00 0.00 178.00 178.87 3ic0 h ALA 120 N 1.33 0.72 -0.39 -0.75 0.00 -1.97 -0.27 119.26 117.93 3ic0 h ALA 120 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3ic0 h ALA 120 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ic0 h ALA 120 CO -0.27 -0.06 -0.26 0.28 0.00 0.00 0.00 179.25 178.94 3ic0 h VAL 121 N 0.54 1.28 -0.25 0.00 2.07 -1.67 -1.69 116.25 116.53 3ic0 h VAL 121 Ca 0.25 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.41 3ic0 h VAL 121 Cb 0.16 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3ic0 h VAL 121 CO -0.17 0.47 -0.08 -0.74 0.02 0.00 0.00 177.57 177.07 3ic0 h HIS 122 N 0.67 -0.18 -0.56 1.57 6.17 -0.37 0.24 115.15 122.69 3ic0 h HIS 122 Ca 0.08 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.24 3ic0 h HIS 122 Cb 0.83 0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.83 3ic0 h HIS 122 CO 0.06 -0.13 0.28 0.00 0.71 0.00 0.00 177.93 178.84 3ic0 h ALA 123 N 1.22 0.72 -0.28 5.26 0.00 -0.84 0.35 119.26 125.68 3ic0 h ALA 123 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ic0 h ALA 123 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ic0 h ALA 123 CO -0.28 -0.08 -0.06 0.77 0.00 0.00 0.00 179.25 179.61 3ic0 h SER 124 N 0.53 0.54 -0.82 0.00 0.02 -0.67 -2.42 113.55 110.72 3ic0 h SER 124 Ca 0.25 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3ic0 h SER 124 Cb 0.18 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3ic0 h SER 124 CO -0.19 0.77 0.47 -0.07 -1.14 0.00 0.00 176.83 176.68 3ic0 h LEU 125 N 0.30 1.01 -0.45 5.07 3.38 -0.18 0.16 115.31 124.61 3ic0 h LEU 125 Ca 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ic0 h LEU 125 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ic0 h LEU 125 CO 0.03 0.80 0.29 -0.78 0.09 0.00 0.00 178.44 178.87 3ic0 h ASP 126 N 1.14 0.51 -0.55 -0.43 3.58 -0.85 -0.34 116.42 119.48 3ic0 h ASP 126 Ca 0.29 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 3ic0 h ASP 126 Cb -0.00 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3ic0 h ASP 126 CO -0.05 0.38 0.11 0.11 -2.88 0.00 0.00 179.24 176.91 3ic0 h LYS 127 N 0.60 0.89 -0.53 0.28 1.57 -1.10 -1.60 116.57 116.68 3ic0 h LYS 127 Ca 0.16 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3ic0 h LYS 127 Cb -0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3ic0 h LYS 127 CO -0.03 0.85 0.34 0.35 -0.57 0.00 0.00 179.45 180.38 3ic0 h PHE 128 N 0.78 0.64 -0.22 -1.35 3.57 -0.67 0.18 116.94 119.87 3ic0 h PHE 128 Ca 0.17 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3ic0 h PHE 128 Cb 0.37 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3ic0 h PHE 128 CO 0.03 0.39 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.22 3ic0 h LEU 129 N 0.69 0.40 -0.65 0.59 3.38 -0.75 0.49 115.31 119.45 3ic0 h LEU 129 Ca 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ic0 h LEU 129 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ic0 h LEU 129 CO -0.06 0.62 0.25 0.00 0.09 0.00 0.00 178.44 179.33 3ic0 h ALA 130 N 1.42 0.84 0.02 1.53 0.00 -0.85 0.57 119.26 122.79 3ic0 h ALA 130 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ic0 h ALA 130 Cb 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ic0 h ALA 130 CO 0.04 0.48 -0.01 0.77 0.00 0.00 0.00 179.25 180.52 3ic0 h SER 131 N 0.92 -0.02 -0.68 0.00 0.02 -0.02 -1.75 113.55 112.01 3ic0 h SER 131 Ca 0.21 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3ic0 h SER 131 Cb 0.23 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3ic0 h SER 131 CO -0.02 0.09 0.37 0.58 -1.14 0.00 0.00 176.83 176.71 3ic0 h VAL 132 N -0.13 0.95 -0.34 2.27 2.07 -0.76 -2.39 116.25 117.92 3ic0 h VAL 132 Ca -0.00 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3ic0 h VAL 132 Cb 0.12 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3ic0 h VAL 132 CO 0.00 0.12 -0.02 0.28 0.02 0.00 0.00 177.57 177.98 3ic0 h SER 133 N 0.68 0.50 -0.53 0.57 0.02 -0.66 -2.06 113.55 112.07 3ic0 h SER 133 Ca 0.31 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3ic0 h SER 133 Cb 0.21 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3ic0 h SER 133 CO -0.19 0.59 0.09 0.74 -1.14 0.00 0.00 176.83 176.91 3ic0 h THR 134 N 0.51 1.25 -0.30 -2.27 2.02 -0.84 -1.38 112.91 111.91 3ic0 h THR 134 Ca 0.11 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 3ic0 h THR 134 Cb 0.36 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3ic0 h THR 134 CO 0.01 0.34 0.03 0.58 0.37 0.00 0.00 175.52 176.86 3ic0 h VAL 135 N 0.77 1.24 0.00 3.16 2.07 -1.07 -2.35 116.25 120.07 3ic0 h VAL 135 Ca 0.16 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3ic0 h VAL 135 Cb 0.41 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ic0 h VAL 135 CO 0.01 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.06 3ic0 n LEU 136 N -4.62 0.13 -0.61 2.57 4.77 -0.81 -2.54 117.00 115.90 3ic0 n LEU 136 Ca -0.03 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 3ic0 n LEU 136 Cb 0.23 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.91 3ic0 n LEU 136 CO 0.38 -0.25 0.53 0.35 -1.33 0.00 0.00 177.39 177.07 3ic0 n THR 137 N -1.64 0.37 -3.99 -5.08 -2.24 -0.53 -2.81 114.28 98.36 3ic0 n THR 137 Ca 0.04 -0.68 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 3ic0 n THR 137 Cb 0.22 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 3ic0 n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ic0 s SER 138 N -1.06 6.13 -0.40 3.42 0.01 -0.90 -4.86 113.70 116.03 3ic0 s SER 138 Ca 0.20 0.36 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 3ic0 s SER 138 Cb 0.12 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.46 3ic0 s SER 138 CO 0.17 0.36 0.29 -0.54 0.41 0.00 0.00 173.24 173.93 3ic0 s LYS 139 N -1.25 2.96 -0.00 12.44 1.02 -1.26 -4.82 119.74 128.82 3ic0 s LYS 139 Ca 0.18 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.15 3ic0 s LYS 139 Cb -0.12 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 3ic0 s LYS 139 CO 0.08 -0.74 0.82 2.48 -0.92 0.00 0.00 175.35 177.07 3ic0 n TYR 140 N 5.14 0.00 1.25 3.18 0.18 -1.26 -5.17 117.16 120.48 3ic0 n TYR 140 Ca -0.11 -0.32 0.13 0.00 1.88 0.00 0.00 57.90 59.48 3ic0 n TYR 140 Cb 0.47 -0.03 0.31 0.00 -0.38 0.00 0.00 39.34 39.71 3ic0 n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32