#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic0 n HIS 2 N 0.00 0.00 -1.69 6.34 8.25 -1.26 -4.95 115.22 121.91 3ic0 n HIS 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3ic0 n HIS 2 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ic0 n HIS 2 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ic0 n LEU 3 N 0.00 -2.75 -4.53 2.41 7.99 -1.26 -4.99 117.00 113.87 3ic0 n LEU 3 Ca 0.00 0.04 -0.37 0.00 -0.01 0.00 0.00 56.01 55.67 3ic0 n LEU 3 Cb 0.00 -1.32 0.06 0.00 -0.11 0.00 0.00 43.42 42.04 3ic0 n LEU 3 CO 0.00 -0.26 0.27 0.35 -1.51 0.00 0.00 177.39 176.24 3ic0 n THR 4 N -0.70 2.70 -0.42 -5.08 -2.24 -1.26 -4.41 114.28 102.88 3ic0 n THR 4 Ca 0.01 -0.46 0.34 0.00 -2.27 0.00 0.00 64.05 61.67 3ic0 n THR 4 Cb 0.22 -0.89 0.64 0.00 -2.10 0.00 0.00 70.33 68.20 3ic0 n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ic0 h PRO 5 N 0.08 0.14 -0.05 -0.78 0.11 -1.99 0.42 132.00 129.93 3ic0 h PRO 5 Ca -0.47 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 3ic0 h PRO 5 Cb 1.37 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ic0 h PRO 5 CO 0.47 0.10 -0.79 1.49 -0.21 0.00 0.00 178.00 179.06 3ic0 h GLU 6 N 0.15 0.39 -0.23 1.05 4.81 -2.00 -2.50 114.58 116.25 3ic0 h GLU 6 Ca 0.73 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 59.51 3ic0 h GLU 6 Cb 2.35 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.81 3ic0 h GLU 6 CO -0.29 1.00 -0.28 0.93 -0.73 0.00 0.00 179.01 179.64 3ic0 h GLU 7 N 0.25 0.59 -0.96 1.92 5.08 -0.52 -1.00 114.58 119.95 3ic0 h GLU 7 Ca -0.04 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 3ic0 h GLU 7 Cb 1.38 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 3ic0 h GLU 7 CO 0.13 0.94 0.62 -0.22 -1.00 0.00 0.00 179.01 179.48 3ic0 h LYS 8 N 0.29 1.11 -0.17 2.33 3.64 -1.17 0.26 116.57 122.86 3ic0 h LYS 8 Ca 0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3ic0 h LYS 8 Cb 0.85 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3ic0 h LYS 8 CO 0.07 0.73 -0.05 0.77 -2.27 0.00 0.00 179.45 178.71 3ic0 h SER 9 N 1.14 0.33 -0.36 4.20 0.02 -1.29 -1.11 113.55 116.48 3ic0 h SER 9 Ca 0.41 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3ic0 h SER 9 Cb 0.12 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3ic0 h SER 9 CO -0.16 0.63 0.10 0.00 -1.14 0.00 0.00 176.83 176.26 3ic0 h ALA 10 N 0.71 0.41 -0.67 3.77 0.00 -0.35 0.32 119.26 123.46 3ic0 h ALA 10 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ic0 h ALA 10 Cb 0.49 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ic0 h ALA 10 CO 0.02 -0.30 0.33 0.28 0.00 0.00 0.00 179.25 179.58 3ic0 h VAL 11 N 0.24 1.22 -0.26 0.00 2.07 -0.47 -1.02 116.25 118.03 3ic0 h VAL 11 Ca 0.17 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3ic0 h VAL 11 Cb 0.17 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ic0 h VAL 11 CO -0.20 0.25 -0.01 0.74 0.02 0.00 0.00 177.57 178.38 3ic0 h THR 12 N 0.92 1.26 -0.68 2.57 2.02 -0.56 -1.39 112.91 117.06 3ic0 h THR 12 Ca 0.23 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3ic0 h THR 12 Cb 0.10 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 3ic0 h THR 12 CO -0.03 0.30 0.44 0.00 0.37 0.00 0.00 175.52 176.60 3ic0 h ALA 13 N 0.81 0.86 -0.49 6.16 0.00 -0.20 -2.61 119.26 123.79 3ic0 h ALA 13 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ic0 h ALA 13 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ic0 h ALA 13 CO 0.02 0.26 -0.11 1.25 0.00 0.00 0.00 179.25 180.67 3ic0 h LEU 14 N 0.90 0.94 -1.33 0.00 5.85 -0.96 -3.12 115.31 117.59 3ic0 h LEU 14 Ca 0.25 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3ic0 h LEU 14 Cb -0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3ic0 h LEU 14 CO -0.07 1.08 0.30 -0.25 -0.34 0.00 0.00 178.44 179.16 3ic0 h TRP 15 N 0.78 0.74 -0.15 1.25 2.91 -1.08 -1.22 115.95 119.18 3ic0 h TRP 15 Ca 0.12 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.18 3ic0 h TRP 15 Cb 0.66 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 3ic0 h TRP 15 CO 0.05 0.52 0.17 0.78 -1.03 0.00 0.00 178.44 178.93 3ic0 h GLY 16 N 0.84 0.00 -0.60 2.65 0.00 -1.40 0.12 103.07 104.67 3ic0 h GLY 16 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ic0 h GLY 16 CO -0.03 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.68 3ic0 n LYS 17 N -3.82 1.54 -2.57 4.80 5.02 -0.47 -4.92 118.16 117.75 3ic0 n LYS 17 Ca 0.01 -1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 54.85 3ic0 n LYS 17 Cb 0.29 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3ic0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ic0 s VAL 18 N -2.16 4.36 -0.48 -0.18 1.01 0.42 -4.96 120.40 118.39 3ic0 s VAL 18 Ca 0.31 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.78 3ic0 s VAL 18 Cb 0.20 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3ic0 s VAL 18 CO 0.39 0.18 1.53 0.21 0.00 0.00 0.00 175.10 177.41 3ic0 s ASN 19 N 0.74 6.05 0.50 3.32 3.84 -1.26 -4.88 114.94 123.25 3ic0 s ASN 19 Ca 0.54 0.62 0.15 0.00 0.21 0.00 0.00 52.86 54.38 3ic0 s ASN 19 Cb -0.26 -2.54 1.18 0.00 -0.55 0.00 0.00 41.25 39.09 3ic0 s ASN 19 CO 0.30 -1.70 2.10 0.58 -2.79 0.00 0.00 177.10 175.59 3ic0 h VAL 20 N 6.53 1.04 0.00 -5.21 2.07 -1.95 -2.18 116.25 116.55 3ic0 h VAL 20 Ca -0.28 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3ic0 h VAL 20 Cb 1.12 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3ic0 h VAL 20 CO 1.13 0.05 -0.59 0.44 0.02 0.00 0.00 177.57 178.62 3ic0 h ASP 21 N 0.02 0.00 0.00 0.57 3.32 -1.96 -3.43 116.42 114.93 3ic0 h ASP 21 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3ic0 h ASP 21 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ic0 h ASP 21 CO 0.01 0.06 -1.19 -0.62 -1.72 0.00 0.00 179.24 175.78 3ic0 n GLU 22 N -2.89 0.22 -0.33 3.56 1.02 -1.04 -4.66 120.64 116.51 3ic0 n GLU 22 Ca 0.01 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.25 3ic0 n GLU 22 Cb 0.57 -1.07 0.25 0.00 -0.02 0.00 0.00 31.44 31.17 3ic0 n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ic0 h VAL 23 N 0.00 0.78 -0.64 2.62 2.07 -1.67 -0.13 116.25 119.27 3ic0 h VAL 23 Ca -0.07 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3ic0 h VAL 23 Cb 1.12 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3ic0 h VAL 23 CO -0.01 0.14 0.17 1.23 0.02 0.00 0.00 177.57 179.11 3ic0 h GLY 24 N 0.76 1.10 1.99 2.17 0.00 -1.80 -1.21 103.07 106.08 3ic0 h GLY 24 Ca 0.50 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3ic0 h GLY 24 CO -0.34 0.63 -0.57 -1.33 0.00 0.00 0.00 176.54 174.94 3ic0 h GLY 25 N 0.94 0.01 1.31 4.60 0.00 -1.39 -2.24 103.07 106.30 3ic0 h GLY 25 Ca 0.20 -0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 3ic0 h GLY 25 CO 0.00 0.01 -0.38 0.83 0.00 0.00 0.00 176.54 177.00 3ic0 h GLU 26 N 0.01 0.76 -0.37 4.80 5.08 -0.54 -1.26 114.58 123.06 3ic0 h GLU 26 Ca -0.01 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3ic0 h GLU 26 Cb 1.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3ic0 h GLU 26 CO 0.07 1.01 0.03 0.00 -1.00 0.00 0.00 179.01 179.13 3ic0 h ALA 27 N 0.94 0.49 -0.44 3.43 0.00 -1.08 0.16 119.26 122.78 3ic0 h ALA 27 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3ic0 h ALA 27 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ic0 h ALA 27 CO 0.09 0.23 -0.18 1.25 0.00 0.00 0.00 179.25 180.64 3ic0 h LEU 28 N 0.46 0.91 -0.52 0.00 5.85 -1.43 -0.53 115.31 120.06 3ic0 h LEU 28 Ca 0.11 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3ic0 h LEU 28 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3ic0 h LEU 28 CO 0.01 1.10 0.16 1.23 -0.34 0.00 0.00 178.44 180.60 3ic0 h GLY 29 N 0.72 0.86 1.54 3.75 0.00 -1.05 -0.84 103.07 108.06 3ic0 h GLY 29 Ca 0.10 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3ic0 h GLY 29 CO 0.06 0.48 -0.20 3.21 0.00 0.00 0.00 176.54 180.09 3ic0 h ARG 30 N 0.71 0.54 -0.53 4.80 3.08 -0.46 -1.34 114.38 121.17 3ic0 h ARG 30 Ca 0.17 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ic0 h ARG 30 Cb 0.28 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3ic0 h ARG 30 CO -0.00 0.71 0.32 1.25 -1.07 0.00 0.00 179.97 181.18 3ic0 h LEU 31 N 0.48 0.53 -1.48 3.04 5.85 -0.39 0.14 115.31 123.49 3ic0 h LEU 31 Ca 0.08 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ic0 h LEU 31 Cb 0.62 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3ic0 h LEU 31 CO 0.04 0.38 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.40 3ic0 h LEU 32 N 0.65 0.26 0.19 2.25 3.38 -0.73 -0.85 115.31 120.45 3ic0 h LEU 32 Ca 0.21 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 3ic0 h LEU 32 Cb 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ic0 h LEU 32 CO -0.09 0.35 -1.29 0.58 0.09 0.00 0.00 178.44 178.08 3ic0 h VAL 33 N 0.27 1.26 0.01 1.22 2.07 -0.69 -3.31 116.25 117.08 3ic0 h VAL 33 Ca 0.06 -2.57 -0.24 0.00 0.82 0.00 0.00 66.70 64.77 3ic0 h VAL 33 Cb 0.27 3.00 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3ic0 h VAL 33 CO 0.01 0.77 -1.00 0.58 0.02 0.00 0.00 177.57 177.95 3ic0 h VAL 34 N -0.11 1.36 -2.82 2.57 2.07 -0.67 -3.36 116.25 115.29 3ic0 h VAL 34 Ca -0.24 -2.41 -0.61 0.00 0.82 0.00 0.00 66.70 64.26 3ic0 h VAL 34 Cb 1.92 2.44 -0.41 0.00 -1.52 0.00 0.00 31.29 33.72 3ic0 h VAL 34 CO 0.19 0.73 -0.67 -1.22 0.02 0.00 0.00 177.57 176.61 3ic0 n TYR 35 N -3.77 2.32 -0.14 1.57 4.01 -0.33 -5.00 117.16 115.82 3ic0 n TYR 35 Ca -0.08 -4.07 0.27 0.00 -0.16 0.00 0.00 57.90 53.86 3ic0 n TYR 35 Cb 0.87 -0.43 0.72 0.00 -0.31 0.00 0.00 39.34 40.19 3ic0 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ic0 h PRO 36 N 5.27 0.00 0.00 -0.72 0.13 -1.73 -1.77 132.00 133.18 3ic0 h PRO 36 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ic0 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ic0 h PRO 36 CO 0.65 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.52 3ic0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -0.59 115.95 115.09 3ic0 h TRP 37 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 3ic0 h TRP 37 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.85 3ic0 h TRP 37 CO 0.00 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.33 3ic0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.64 -1.96 112.91 110.78 3ic0 h THR 38 Ca -0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3ic0 h THR 38 Cb 0.05 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3ic0 h THR 38 CO 0.00 0.00 -0.04 1.56 -0.25 0.00 0.00 175.52 176.79 3ic0 h GLN 39 N 0.00 0.00 -0.18 4.72 4.20 -1.31 -2.88 115.11 119.66 3ic0 h GLN 39 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3ic0 h GLN 39 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3ic0 h GLN 39 CO 0.00 0.04 0.13 -0.09 -0.67 0.00 0.00 178.83 178.25 3ic0 h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.55 -1.67 114.38 115.04 3ic0 h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ic0 h ARG 40 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ic0 h ARG 40 CO 0.01 0.00 -0.06 1.19 -1.51 0.00 0.00 179.97 179.60 3ic0 n PHE 41 N -4.48 0.00 -1.96 2.20 3.01 -1.08 -4.20 117.46 110.94 3ic0 n PHE 41 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.48 3ic0 n PHE 41 Cb 0.27 -0.08 0.13 0.00 -0.01 0.00 0.00 39.48 39.78 3ic0 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3ic0 n PHE 42 N -0.62 0.46 -0.10 1.38 3.72 -0.63 -4.83 117.46 116.83 3ic0 n PHE 42 Ca 0.18 -1.39 0.14 0.00 -0.05 0.00 0.00 57.45 56.33 3ic0 n PHE 42 Cb 0.26 -0.24 0.53 0.00 -0.94 0.00 0.00 39.48 39.09 3ic0 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3ic0 h GLU 43 N 1.27 0.35 0.00 -1.08 4.81 -1.73 -0.21 114.58 117.98 3ic0 h GLU 43 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3ic0 h GLU 43 Cb 1.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3ic0 h GLU 43 CO 0.14 0.23 0.00 -1.13 -0.73 0.00 0.00 179.01 177.52 3ic0 n SER 44 N -4.46 0.00 0.11 1.04 3.41 -1.26 -3.19 113.62 109.27 3ic0 n SER 44 Ca 0.12 -0.64 0.13 0.00 -0.26 0.00 0.00 58.87 58.21 3ic0 n SER 44 Cb 0.46 -0.05 0.34 0.00 -0.26 0.00 0.00 64.21 64.70 3ic0 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ic0 h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.42 -3.50 116.94 118.35 3ic0 h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3ic0 h PHE 45 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3ic0 h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3ic0 n GLY 46 N 1.29 -0.08 3.66 -1.45 0.00 -1.19 -4.62 105.19 102.80 3ic0 n GLY 46 Ca 0.05 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3ic0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ic0 s ASP 47 N -4.00 6.62 -0.04 1.61 2.15 -1.26 -4.81 116.67 116.93 3ic0 s ASP 47 Ca 0.00 2.34 0.06 0.00 0.43 0.00 0.00 52.55 55.38 3ic0 s ASP 47 Cb 0.00 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 3ic0 s ASP 47 CO 0.00 -0.95 1.04 0.18 -0.17 0.00 0.00 175.17 175.26 3ic0 n LEU 48 N 7.20 0.76 0.28 -1.34 4.77 -1.26 -4.21 117.00 123.19 3ic0 n LEU 48 Ca 0.18 -1.64 0.15 0.00 -0.03 0.00 0.00 56.01 54.67 3ic0 n LEU 48 Cb 0.42 -0.13 0.82 0.00 -2.33 0.00 0.00 43.42 42.19 3ic0 n LEU 48 CO 0.64 0.39 1.02 0.77 -1.33 0.00 0.00 177.39 178.88 3ic0 h SER 49 N 0.00 0.00 -5.21 -1.43 4.64 -1.92 -3.43 113.55 106.20 3ic0 h SER 49 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3ic0 h SER 49 Cb 1.26 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 3ic0 h SER 49 CO 0.00 0.08 -0.66 0.42 -0.87 0.00 0.00 176.83 175.79 3ic0 s THR 50 N -4.13 0.20 0.36 2.95 -4.23 -1.26 -5.01 115.64 104.52 3ic0 s THR 50 Ca -0.03 -1.67 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 3ic0 s THR 50 Cb 0.13 -1.38 0.31 0.00 1.34 0.00 0.00 72.50 72.90 3ic0 s THR 50 CO 0.55 -0.92 1.91 -0.65 -0.54 0.00 0.00 174.62 174.96 3ic0 h PRO 51 N 3.28 0.70 -0.55 3.99 0.11 -1.99 -0.14 132.00 137.40 3ic0 h PRO 51 Ca -0.34 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 3ic0 h PRO 51 Cb 1.15 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3ic0 h PRO 51 CO 0.63 0.46 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.42 3ic0 h ASP 52 N 0.72 0.97 -0.51 -2.05 3.32 -1.97 -0.75 116.42 116.15 3ic0 h ASP 52 Ca 0.39 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ic0 h ASP 52 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3ic0 h ASP 52 CO -0.16 1.05 0.34 0.00 -1.72 0.00 0.00 179.24 178.75 3ic0 h ALA 53 N 0.95 0.65 0.31 3.45 0.00 -1.49 -2.02 119.26 121.11 3ic0 h ALA 53 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ic0 h ALA 53 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ic0 h ALA 53 CO 0.03 0.10 -0.15 0.28 0.00 0.00 0.00 179.25 179.51 3ic0 h VAL 54 N 0.70 0.72 0.00 0.00 2.07 -0.86 -0.15 116.25 118.72 3ic0 h VAL 54 Ca 0.19 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ic0 h VAL 54 Cb -0.08 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ic0 h VAL 54 CO -0.04 0.04 -0.10 0.24 0.02 0.00 0.00 177.57 177.73 3ic0 h MET 55 N -0.52 0.00 -0.01 1.57 2.07 -1.06 -2.42 114.93 114.55 3ic0 h MET 55 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3ic0 h MET 55 Cb 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 3ic0 h MET 55 CO 0.07 0.10 -0.54 0.41 1.07 0.00 0.00 176.91 178.02 3ic0 n GLY 56 N -0.56 -0.18 3.67 8.32 0.00 -0.77 -4.91 105.19 110.75 3ic0 n GLY 56 Ca -0.01 -0.58 -0.49 0.00 0.00 0.00 0.00 46.02 44.94 3ic0 n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ic0 n ASN 57 N -0.37 3.28 0.07 1.61 2.85 -0.08 -4.87 115.26 117.74 3ic0 n ASN 57 Ca 0.07 0.91 0.04 0.00 -0.11 0.00 0.00 54.58 55.49 3ic0 n ASN 57 Cb 0.40 -1.35 0.44 0.00 1.24 0.00 0.00 39.78 40.51 3ic0 n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ic0 h PRO 58 N 9.55 0.38 -0.31 1.20 0.11 -1.90 -1.64 132.00 139.39 3ic0 h PRO 58 Ca -0.47 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3ic0 h PRO 58 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3ic0 h PRO 58 CO 0.96 0.32 -0.20 0.87 -0.21 0.00 0.00 178.00 179.74 3ic0 h LYS 59 N 0.39 0.68 -0.29 1.05 1.79 -1.90 0.24 116.57 118.53 3ic0 h LYS 59 Ca 0.10 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.28 3ic0 h LYS 59 Cb 0.07 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 3ic0 h LYS 59 CO -0.01 0.92 0.11 0.28 -1.08 0.00 0.00 179.45 179.66 3ic0 h VAL 60 N 0.44 0.94 -0.29 0.50 2.07 -1.80 0.62 116.25 118.71 3ic0 h VAL 60 Ca 0.06 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3ic0 h VAL 60 Cb 0.74 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ic0 h VAL 60 CO 0.05 0.04 0.14 0.50 0.02 0.00 0.00 177.57 178.33 3ic0 h LYS 61 N 0.24 0.42 -0.36 1.57 3.64 -1.16 0.31 116.57 121.23 3ic0 h LYS 61 Ca 0.13 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3ic0 h LYS 61 Cb 0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3ic0 h LYS 61 CO -0.12 0.41 0.08 0.00 -2.27 0.00 0.00 179.45 177.55 3ic0 h ALA 62 N 0.99 0.48 -0.60 5.00 0.00 -0.55 -2.69 119.26 121.90 3ic0 h ALA 62 Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3ic0 h ALA 62 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ic0 h ALA 62 CO -0.01 0.16 0.06 1.25 0.00 0.00 0.00 179.25 180.71 3ic0 h HIS 63 N 0.44 1.09 -0.28 0.00 -0.00 0.38 -2.79 115.15 113.98 3ic0 h HIS 63 Ca 0.11 -0.17 0.06 0.00 -0.00 0.00 0.00 60.37 60.37 3ic0 h HIS 63 Cb 0.31 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 3ic0 h HIS 63 CO 0.02 0.95 0.20 0.78 -0.00 0.00 0.00 177.93 179.87 3ic0 h GLY 64 N 0.91 0.15 1.21 5.26 0.00 -0.18 -0.62 103.07 109.81 3ic0 h GLY 64 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3ic0 h GLY 64 CO 0.02 0.04 0.40 1.70 0.00 0.00 0.00 176.54 178.70 3ic0 h LYS 65 N 0.13 1.03 -0.39 4.80 3.64 -1.19 0.12 116.57 124.71 3ic0 h LYS 65 Ca 0.13 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3ic0 h LYS 65 Cb 0.35 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ic0 h LYS 65 CO -0.02 0.76 -0.38 0.87 -2.27 0.00 0.00 179.45 178.41 3ic0 h LYS 66 N 1.04 0.94 -0.16 1.90 1.57 -1.18 -1.05 116.57 119.62 3ic0 h LYS 66 Ca 0.26 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ic0 h LYS 66 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3ic0 h LYS 66 CO -0.04 1.15 0.04 0.28 -0.57 0.00 0.00 179.45 180.30 3ic0 h VAL 67 N 0.77 0.93 -0.85 0.50 2.07 -0.82 -1.66 116.25 117.19 3ic0 h VAL 67 Ca 0.06 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3ic0 h VAL 67 Cb 0.97 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3ic0 h VAL 67 CO 0.09 0.02 0.56 0.25 0.02 0.00 0.00 177.57 178.51 3ic0 h LEU 68 N 0.11 0.99 -0.97 2.57 7.12 -0.64 -2.14 115.31 122.34 3ic0 h LEU 68 Ca 0.07 -0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.08 3ic0 h LEU 68 Cb 0.06 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 39.89 3ic0 h LEU 68 CO -0.09 0.72 0.64 1.23 -0.13 0.00 0.00 178.44 180.81 3ic0 h GLY 69 N 1.16 1.40 1.09 3.75 0.00 -0.40 0.57 103.07 110.64 3ic0 h GLY 69 Ca 0.31 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3ic0 h GLY 69 CO -0.07 0.44 -0.06 0.00 0.00 0.00 0.00 176.54 176.86 3ic0 h ALA 70 N 1.38 0.78 -0.62 3.60 0.00 -0.76 -0.71 119.26 122.94 3ic0 h ALA 70 Ca 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ic0 h ALA 70 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3ic0 h ALA 70 CO -0.11 0.67 0.32 0.74 0.00 0.00 0.00 179.25 180.87 3ic0 h PHE 71 N 0.95 0.88 -0.84 0.00 0.04 -0.71 -1.07 116.94 116.19 3ic0 h PHE 71 Ca 0.15 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.97 3ic0 h PHE 71 Cb 0.63 -0.28 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 3ic0 h PHE 71 CO 0.04 0.65 0.50 0.77 -0.60 0.00 0.00 178.31 179.67 3ic0 h SER 72 N 0.85 0.76 -0.48 2.17 0.02 -0.53 -0.89 113.55 115.44 3ic0 h SER 72 Ca 0.22 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 3ic0 h SER 72 Cb 0.08 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3ic0 h SER 72 CO -0.03 0.46 0.28 0.44 -1.14 0.00 0.00 176.83 176.84 3ic0 h ASP 73 N 0.88 0.44 -0.81 3.07 5.19 -0.48 -1.04 116.42 123.66 3ic0 h ASP 73 Ca 0.38 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.76 3ic0 h ASP 73 Cb 0.26 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 3ic0 h ASP 73 CO -0.20 0.31 0.36 1.23 -3.12 0.00 0.00 179.24 177.81 3ic0 h GLY 74 N 0.55 1.28 1.41 2.75 0.00 0.06 -2.42 103.07 106.70 3ic0 h GLY 74 Ca 0.20 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3ic0 h GLY 74 CO -0.10 0.63 0.11 1.41 0.00 0.00 0.00 176.54 178.59 3ic0 h LEU 75 N 1.17 0.70 0.00 3.11 3.38 -0.72 -2.02 115.31 120.93 3ic0 h LEU 75 Ca 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ic0 h LEU 75 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ic0 h LEU 75 CO -0.03 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3ic0 n ALA 76 N -2.47 2.25 -2.79 1.53 0.00 -0.44 -3.70 120.51 114.89 3ic0 n ALA 76 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3ic0 n ALA 76 Cb 0.22 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.33 3ic0 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic0 n HIS 77 N -1.22 -0.25 0.30 0.00 8.25 -0.81 -4.98 115.22 116.51 3ic0 n HIS 77 Ca 0.13 -2.76 0.19 0.00 -0.26 0.00 0.00 57.72 55.01 3ic0 n HIS 77 Cb 0.17 0.24 1.02 0.00 1.12 0.00 0.00 29.99 32.54 3ic0 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ic0 h LEU 78 N 2.79 0.00 -1.10 2.41 3.38 -1.50 -0.83 115.31 120.45 3ic0 h LEU 78 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ic0 h LEU 78 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ic0 h LEU 78 CO 0.34 0.00 -0.03 0.47 0.09 0.00 0.00 178.44 179.31 3ic0 n ASP 79 N -3.35 1.75 -2.87 -0.43 8.00 -1.26 -4.34 116.55 114.04 3ic0 n ASP 79 Ca -0.02 -1.54 -0.12 0.00 0.71 0.00 0.00 54.79 53.82 3ic0 n ASP 79 Cb 0.17 0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 3ic0 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ic0 n ASN 80 N 0.31 0.69 -0.01 -2.24 5.15 -0.32 -4.93 115.26 113.90 3ic0 n ASN 80 Ca 0.17 -2.87 -0.02 0.00 -0.60 0.00 0.00 54.58 51.26 3ic0 n ASN 80 Cb 0.40 -0.28 0.23 0.00 -0.53 0.00 0.00 39.78 39.61 3ic0 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3ic0 h LEU 81 N 2.92 0.53 -0.76 1.20 3.38 -1.75 -1.30 115.31 119.54 3ic0 h LEU 81 Ca -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ic0 h LEU 81 Cb 1.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3ic0 h LEU 81 CO 0.43 0.68 0.48 0.11 0.09 0.00 0.00 178.44 180.23 3ic0 h LYS 82 N 0.51 1.01 -0.10 1.13 1.57 -1.90 -0.50 116.57 118.30 3ic0 h LYS 82 Ca 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3ic0 h LYS 82 Cb 0.49 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ic0 h LYS 82 CO 0.03 0.69 -0.08 0.78 -0.57 0.00 0.00 179.45 180.30 3ic0 h GLY 83 N 1.03 0.26 0.37 3.86 0.00 -1.89 -2.47 103.07 104.23 3ic0 h GLY 83 Ca 0.28 -0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.51 3ic0 h GLY 83 CO -0.06 0.23 0.60 -0.84 0.00 0.00 0.00 176.54 176.47 3ic0 h THR 84 N -0.16 0.78 -0.72 4.70 2.02 -0.82 -2.03 112.91 116.68 3ic0 h THR 84 Ca 0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3ic0 h THR 84 Cb 0.58 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3ic0 h THR 84 CO 0.02 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.53 3ic0 n PHE 85 N -4.61 0.96 -0.11 3.16 3.72 -0.23 -4.58 117.46 115.78 3ic0 n PHE 85 Ca 0.19 -0.48 -0.05 0.00 -0.05 0.00 0.00 57.45 57.06 3ic0 n PHE 85 Cb 0.53 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.09 3ic0 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ic0 h ALA 86 N 4.35 0.40 -0.38 4.37 0.00 -0.87 0.28 119.26 127.40 3ic0 h ALA 86 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ic0 h ALA 86 Cb 0.98 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ic0 h ALA 86 CO 0.00 -0.32 0.12 1.15 0.00 0.00 0.00 179.25 180.20 3ic0 h THR 87 N 0.21 1.21 -0.32 0.00 2.02 -1.81 -1.82 112.91 112.41 3ic0 h THR 87 Ca 0.18 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3ic0 h THR 87 Cb 0.20 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3ic0 h THR 87 CO -0.23 0.25 -0.10 -0.07 0.37 0.00 0.00 175.52 175.74 3ic0 h LEU 88 N 0.47 0.51 -0.41 2.58 3.38 -1.77 -1.24 115.31 118.84 3ic0 h LEU 88 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ic0 h LEU 88 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3ic0 h LEU 88 CO -0.00 0.65 0.17 -1.28 0.09 0.00 0.00 178.44 178.07 3ic0 h SER 89 N 0.50 0.56 -0.68 -0.43 0.87 -0.17 0.09 113.55 114.29 3ic0 h SER 89 Ca 0.09 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3ic0 h SER 89 Cb 0.47 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3ic0 h SER 89 CO 0.03 0.57 0.28 -0.08 -0.53 0.00 0.00 176.83 177.09 3ic0 h GLU 90 N 0.52 1.01 -0.15 2.24 4.22 -1.08 0.13 114.58 121.46 3ic0 h GLU 90 Ca 0.14 -0.18 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 3ic0 h GLU 90 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ic0 h GLU 90 CO -0.01 0.83 0.09 1.25 -2.18 0.00 0.00 179.01 178.99 3ic0 h LEU 91 N 0.96 0.18 -0.33 1.64 5.85 -0.67 -1.89 115.31 121.05 3ic0 h LEU 91 Ca 0.23 -0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.70 3ic0 h LEU 91 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3ic0 h LEU 91 CO -0.02 0.19 -0.85 0.45 -0.34 0.00 0.00 178.44 177.87 3ic0 h HIS 92 N 0.16 0.21 0.00 1.25 3.86 -0.92 0.08 115.15 119.80 3ic0 h HIS 92 Ca 0.05 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3ic0 h HIS 92 Cb 0.04 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ic0 h HIS 92 CO -0.05 0.92 -0.40 0.00 0.86 0.00 0.00 177.93 179.26 3ic0 h ASP 94 N -0.97 0.55 0.03 0.00 3.32 -1.50 -2.57 116.42 115.27 3ic0 h ASP 94 Ca 0.00 -0.48 -0.27 0.00 0.02 0.00 0.00 57.03 56.30 3ic0 h ASP 94 Cb 0.40 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3ic0 h ASP 94 CO 0.00 1.29 -1.48 1.17 -1.72 0.00 0.00 179.24 178.50 3ic0 n LYS 95 N -3.71 0.61 0.06 3.56 4.81 -1.07 -4.52 118.16 117.90 3ic0 n LYS 95 Ca -0.08 0.50 0.11 0.00 -0.87 0.00 0.00 58.31 57.97 3ic0 n LYS 95 Cb 0.89 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 34.18 3ic0 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ic0 n LEU 96 N -4.22 0.61 -3.74 3.14 4.77 -0.01 -4.99 117.00 112.57 3ic0 n LEU 96 Ca -0.33 0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 3ic0 n LEU 96 Cb 0.77 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.83 3ic0 n LEU 96 CO 0.23 -0.10 -0.07 1.41 -1.33 0.00 0.00 177.39 177.53 3ic0 n HIS 97 N -2.43 -1.91 -2.58 -1.77 8.25 -0.57 -4.94 115.22 109.27 3ic0 n HIS 97 Ca -0.00 0.84 -0.42 0.00 -0.26 0.00 0.00 57.72 57.87 3ic0 n HIS 97 Cb 0.53 -4.31 -0.03 0.00 1.12 0.00 0.00 29.99 27.30 3ic0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ic0 s VAL 98 N -3.68 4.54 0.25 1.59 1.01 0.43 -4.98 120.40 119.56 3ic0 s VAL 98 Ca 0.04 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 3ic0 s VAL 98 Cb -0.02 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3ic0 s VAL 98 CO 0.82 0.04 1.55 -0.62 0.00 0.00 0.00 175.10 176.90 3ic0 s ASP 99 N 1.20 6.49 0.61 3.32 2.15 -1.26 -4.78 116.67 124.41 3ic0 s ASP 99 Ca 0.53 2.80 0.31 0.00 0.43 0.00 0.00 52.55 56.62 3ic0 s ASP 99 Cb -0.22 -2.62 1.72 0.00 -0.30 0.00 0.00 42.92 41.49 3ic0 s ASP 99 CO 0.22 -0.84 2.07 1.55 -0.17 0.00 0.00 175.17 178.00 3ic0 h PRO 100 N 5.36 0.00 -0.12 4.34 0.13 -1.96 -1.52 132.00 138.22 3ic0 h PRO 100 Ca -0.46 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3ic0 h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3ic0 h PRO 100 CO 0.82 0.00 0.09 1.49 -0.23 0.00 0.00 178.00 180.17 3ic0 h GLU 101 N 0.00 0.07 0.00 0.86 4.57 -1.99 -1.31 114.58 116.78 3ic0 h GLU 101 Ca 0.08 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 3ic0 h GLU 101 Cb 0.57 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3ic0 h GLU 101 CO -0.00 0.04 -0.12 -0.91 -1.18 0.00 0.00 179.01 176.85 3ic0 h ASN 102 N 0.07 0.00 -0.08 1.04 2.35 -1.63 -2.23 115.58 115.10 3ic0 h ASN 102 Ca 0.05 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3ic0 h ASN 102 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3ic0 h ASN 102 CO -0.01 0.12 -0.32 -0.26 -1.65 0.00 0.00 177.43 175.32 3ic0 h PHE 103 N 0.00 0.64 -0.45 1.19 0.04 -1.40 -1.25 116.94 115.70 3ic0 h PHE 103 Ca -0.00 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.49 3ic0 h PHE 103 Cb 0.65 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3ic0 h PHE 103 CO 0.00 0.80 -0.20 -0.09 -0.60 0.00 0.00 178.31 178.23 3ic0 h ARG 104 N 0.47 0.93 -0.32 1.51 2.43 -1.43 -1.43 114.38 116.54 3ic0 h ARG 104 Ca 0.06 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3ic0 h ARG 104 Cb 0.78 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3ic0 h ARG 104 CO 0.06 1.06 0.21 -0.07 -1.51 0.00 0.00 179.97 179.72 3ic0 h LEU 105 N 0.77 0.38 -0.47 3.80 3.38 -1.13 -0.76 115.31 121.27 3ic0 h LEU 105 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ic0 h LEU 105 Cb 0.77 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3ic0 h LEU 105 CO 0.06 0.28 0.14 0.25 0.09 0.00 0.00 178.44 179.27 3ic0 h LEU 106 N 0.44 0.70 -0.89 1.67 5.85 -1.17 0.23 115.31 122.13 3ic0 h LEU 106 Ca 0.12 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3ic0 h LEU 106 Cb -0.04 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 3ic0 h LEU 106 CO -0.02 0.72 0.55 1.23 -0.34 0.00 0.00 178.44 180.58 3ic0 h GLY 107 N 0.63 1.36 2.00 3.75 0.00 -0.93 0.28 103.07 110.15 3ic0 h GLY 107 Ca 0.15 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 3ic0 h GLY 107 CO -0.00 0.26 -0.75 3.43 0.00 0.00 0.00 176.54 179.48 3ic0 h ASN 108 N 0.99 0.00 -0.47 0.19 2.35 -0.43 -1.78 115.58 116.44 3ic0 h ASN 108 Ca 0.40 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.01 3ic0 h ASN 108 Cb 0.21 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3ic0 h ASN 108 CO -0.19 0.75 -0.20 0.58 -1.65 0.00 0.00 177.43 176.72 3ic0 h VAL 109 N 0.00 1.27 -0.75 2.81 2.07 0.10 -1.14 116.25 120.61 3ic0 h VAL 109 Ca -0.01 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 3ic0 h VAL 109 Cb 1.32 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3ic0 h VAL 109 CO 0.10 0.47 0.46 0.25 0.02 0.00 0.00 177.57 178.87 3ic0 h LEU 110 N 0.85 0.89 -0.69 2.57 5.85 -0.12 -0.29 115.31 124.36 3ic0 h LEU 110 Ca 0.11 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3ic0 h LEU 110 Cb 0.77 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3ic0 h LEU 110 CO 0.06 0.68 0.41 0.58 -0.34 0.00 0.00 178.44 179.83 3ic0 h VAL 111 N 1.02 1.02 -0.62 1.05 2.07 -0.86 -0.48 116.25 119.45 3ic0 h VAL 111 Ca 0.27 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ic0 h VAL 111 Cb -0.06 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3ic0 h VAL 111 CO -0.05 0.14 0.40 0.00 0.02 0.00 0.00 177.57 178.08 3ic0 h VAL 113 N 0.80 1.26 -0.50 0.00 2.07 -0.54 0.14 116.25 119.47 3ic0 h VAL 113 Ca 0.24 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3ic0 h VAL 113 Cb -0.04 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3ic0 h VAL 113 CO -0.07 0.31 0.09 -0.07 0.02 0.00 0.00 177.57 177.85 3ic0 h LEU 114 N 1.22 0.80 -0.93 2.57 3.38 -0.53 -0.19 115.31 121.62 3ic0 h LEU 114 Ca 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ic0 h LEU 114 Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3ic0 h LEU 114 CO -0.04 0.85 0.38 0.00 0.09 0.00 0.00 178.44 179.72 3ic0 h ALA 115 N 0.98 1.17 -0.66 1.53 0.00 -0.92 0.32 119.26 121.67 3ic0 h ALA 115 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ic0 h ALA 115 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ic0 h ALA 115 CO 0.01 0.63 0.10 1.25 0.00 0.00 0.00 179.25 181.24 3ic0 h HIS 116 N 1.13 1.17 -0.04 0.00 -0.00 0.16 -0.45 115.15 117.13 3ic0 h HIS 116 Ca 0.27 -0.16 -0.23 0.00 -0.00 0.00 0.00 60.37 60.26 3ic0 h HIS 116 Cb 0.12 -0.32 0.02 0.00 -0.00 0.00 0.00 27.41 27.22 3ic0 h HIS 116 CO 0.01 0.98 -0.86 0.45 -0.00 0.00 0.00 177.93 178.51 3ic0 h HIS 117 N 1.03 0.94 -0.00 5.26 -0.00 -0.76 -3.36 115.15 118.25 3ic0 h HIS 117 Ca 0.20 -0.48 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3ic0 h HIS 117 Cb 0.44 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3ic0 h HIS 117 CO 0.03 1.31 -0.62 1.19 -0.00 0.00 0.00 177.93 179.85 3ic0 n PHE 118 N -3.98 0.00 -0.44 2.45 3.72 0.08 -5.04 117.46 114.24 3ic0 n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3ic0 n PHE 118 Cb 0.79 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 3ic0 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ic0 n GLY 119 N 1.47 2.92 0.36 1.37 0.00 -0.18 -1.52 105.19 109.61 3ic0 n GLY 119 Ca 0.06 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3ic0 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic0 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.11 116.57 119.96 3ic0 h LYS 120 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ic0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ic0 h LYS 120 CO 0.00 0.00 -0.02 1.49 -2.27 0.00 0.00 179.45 178.65 3ic0 h GLU 121 N 0.00 0.00 -3.73 1.90 4.81 -1.68 -3.23 114.58 112.65 3ic0 h GLU 121 Ca 0.18 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.67 3ic0 h GLU 121 Cb 0.79 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.04 3ic0 h GLU 121 CO -0.00 0.02 2.16 0.34 -0.73 0.00 0.00 179.01 180.80 3ic0 n PHE 122 N -3.18 3.23 -1.10 0.92 7.35 0.37 -4.93 117.46 120.12 3ic0 n PHE 122 Ca -0.01 -2.87 -0.31 0.00 -0.76 0.00 0.00 57.45 53.50 3ic0 n PHE 122 Cb 0.19 -2.08 0.13 0.00 0.35 0.00 0.00 39.48 38.06 3ic0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ic0 s THR 123 N 1.02 2.84 0.35 -2.13 -4.23 -1.22 -4.69 115.64 107.57 3ic0 s THR 123 Ca 0.41 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 61.26 3ic0 s THR 123 Cb 0.09 -2.65 0.31 0.00 1.34 0.00 0.00 72.50 71.59 3ic0 s THR 123 CO -0.01 -0.36 1.91 -0.65 -0.54 0.00 0.00 174.62 174.98 3ic0 h PRO 124 N -1.46 0.73 -0.20 3.99 0.11 -1.94 0.28 132.00 133.51 3ic0 h PRO 124 Ca -0.46 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3ic0 h PRO 124 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3ic0 h PRO 124 CO 0.50 0.48 -0.51 -1.35 -0.21 0.00 0.00 178.00 176.92 3ic0 h PRO 125 N 0.75 0.56 -0.86 1.05 0.11 -1.99 0.10 132.00 131.72 3ic0 h PRO 125 Ca 0.38 -0.33 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3ic0 h PRO 125 Cb 0.46 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 3ic0 h PRO 125 CO -0.15 0.94 0.53 0.28 -0.21 0.00 0.00 178.00 179.39 3ic0 h VAL 126 N 0.44 1.23 -0.27 3.15 2.07 -1.62 -2.23 116.25 119.02 3ic0 h VAL 126 Ca 0.02 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ic0 h VAL 126 Cb 1.04 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ic0 h VAL 126 CO 0.10 0.24 0.07 -0.61 0.02 0.00 0.00 177.57 177.39 3ic0 h GLN 127 N 1.18 0.43 -0.91 1.57 4.15 -0.59 -1.96 115.11 118.98 3ic0 h GLN 127 Ca 0.31 -0.10 0.14 0.00 0.77 0.00 0.00 58.65 59.77 3ic0 h GLN 127 Cb -0.07 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.47 3ic0 h GLN 127 CO -0.06 0.51 0.52 0.00 -1.93 0.00 0.00 178.83 177.86 3ic0 h ALA 128 N 0.90 1.38 -0.32 3.38 0.00 -0.54 0.20 119.26 124.26 3ic0 h ALA 128 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ic0 h ALA 128 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ic0 h ALA 128 CO -0.00 0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.34 3ic0 h ALA 129 N 1.55 0.43 0.00 0.00 0.00 -1.17 -2.79 119.26 117.28 3ic0 h ALA 129 Ca 0.48 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ic0 h ALA 129 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ic0 h ALA 129 CO -0.32 0.10 -0.30 1.88 0.00 0.00 0.00 179.25 180.61 3ic0 h TYR 130 N 0.36 0.00 -0.26 0.00 0.05 -0.51 -2.56 116.97 114.05 3ic0 h TYR 130 Ca 0.10 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3ic0 h TYR 130 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3ic0 h TYR 130 CO 0.02 0.30 -0.21 1.96 -1.05 0.00 0.00 178.16 179.17 3ic0 h GLN 131 N 0.00 0.48 -0.35 4.88 1.08 -0.39 0.21 115.11 121.02 3ic0 h GLN 131 Ca -0.00 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 3ic0 h GLN 131 Cb 0.62 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3ic0 h GLN 131 CO 0.04 0.66 0.10 0.87 -0.95 0.00 0.00 178.83 179.55 3ic0 h LYS 132 N 0.43 0.56 0.04 1.46 1.57 -1.28 -1.01 116.57 118.34 3ic0 h LYS 132 Ca 0.07 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ic0 h LYS 132 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ic0 h LYS 132 CO 0.04 0.60 -0.02 0.28 -0.57 0.00 0.00 179.45 179.78 3ic0 h VAL 133 N 0.42 0.98 -0.19 0.50 2.07 -1.14 -0.81 116.25 118.08 3ic0 h VAL 133 Ca 0.11 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3ic0 h VAL 133 Cb 0.28 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3ic0 h VAL 133 CO -0.00 0.02 -0.28 -0.37 0.02 0.00 0.00 177.57 176.96 3ic0 h VAL 134 N -0.09 1.27 -0.50 2.57 -1.51 -0.91 0.03 116.25 117.10 3ic0 h VAL 134 Ca -0.01 -1.27 -0.05 0.00 -1.23 0.00 0.00 66.70 64.15 3ic0 h VAL 134 Cb 0.08 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 3ic0 h VAL 134 CO 0.01 0.39 0.13 0.00 -1.23 0.00 0.00 177.57 176.87 3ic0 h ALA 135 N 1.38 0.66 -0.71 5.19 0.00 -1.09 -1.07 119.26 123.62 3ic0 h ALA 135 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ic0 h ALA 135 Cb 0.67 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3ic0 h ALA 135 CO 0.05 0.35 0.47 0.78 0.00 0.00 0.00 179.25 180.89 3ic0 h GLY 136 N 0.69 1.00 1.00 0.00 0.00 -0.35 -0.25 103.07 105.15 3ic0 h GLY 136 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3ic0 h GLY 136 CO 0.00 0.36 -0.21 -2.08 0.00 0.00 0.00 176.54 174.61 3ic0 h VAL 137 N 0.95 1.29 -0.38 4.60 2.07 -0.87 -0.94 116.25 122.97 3ic0 h VAL 137 Ca 0.26 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3ic0 h VAL 137 Cb -0.10 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3ic0 h VAL 137 CO -0.06 0.44 -0.16 0.00 0.02 0.00 0.00 177.57 177.81 3ic0 h ALA 138 N 0.78 1.01 -0.51 1.67 0.00 -0.96 -0.59 119.26 120.65 3ic0 h ALA 138 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3ic0 h ALA 138 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ic0 h ALA 138 CO 0.06 0.59 -0.14 -0.97 0.00 0.00 0.00 179.25 178.79 3ic0 h ASN 139 N 0.62 1.00 -0.84 0.00 -1.24 -0.93 -1.60 115.58 112.60 3ic0 h ASN 139 Ca 0.10 -0.34 -0.02 0.00 0.71 0.00 0.00 56.30 56.74 3ic0 h ASN 139 Cb 0.63 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 3ic0 h ASN 139 CO 0.04 1.13 0.43 0.00 -1.29 0.00 0.00 177.43 177.75 3ic0 h ALA 140 N 0.95 1.08 0.00 1.57 0.00 -0.66 -2.42 119.26 119.77 3ic0 h ALA 140 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ic0 h ALA 140 Cb 0.71 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ic0 h ALA 140 CO 0.05 0.61 -0.39 -0.07 0.00 0.00 0.00 179.25 179.45 3ic0 h LEU 141 N 1.18 0.00 -0.47 0.00 3.38 -0.89 -2.74 115.31 115.77 3ic0 h LEU 141 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ic0 h LEU 141 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ic0 h LEU 141 CO -0.04 0.39 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 3ic0 n ALA 142 N -2.27 2.80 -0.28 1.53 0.00 -0.62 -4.34 120.51 117.33 3ic0 n ALA 142 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.17 3ic0 n ALA 142 Cb 0.56 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.98 3ic0 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ic0 h HIS 143 N 1.14 0.61 -0.21 0.00 6.17 -1.12 0.23 115.15 121.98 3ic0 h HIS 143 Ca 0.00 0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.18 3ic0 h HIS 143 Cb 0.41 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 3ic0 h HIS 143 CO 0.00 0.08 0.29 0.87 0.71 0.00 0.00 177.93 179.88 3ic0 h LYS 144 N 0.49 0.00 -0.53 5.26 1.79 -1.82 1.04 116.57 122.79 3ic0 h LYS 144 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 3ic0 h LYS 144 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3ic0 h LYS 144 CO -0.42 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 178.61 3ic0 n TYR 145 N -3.56 0.38 0.54 -1.35 4.01 0.80 -5.04 117.16 112.94 3ic0 n TYR 145 Ca 0.02 -0.15 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 3ic0 n TYR 145 Cb 0.41 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.40 3ic0 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12