#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic0 s HIS 2 N 0.00 3.15 0.20 6.34 5.65 -1.26 -4.69 115.29 124.68 3ic0 s HIS 2 Ca 0.00 -1.22 -0.03 0.00 0.25 0.00 0.00 55.06 54.05 3ic0 s HIS 2 Cb 0.00 -4.05 -0.05 0.00 -1.18 0.00 0.00 32.58 27.30 3ic0 s HIS 2 CO 0.00 -1.30 0.42 -0.51 -0.65 0.00 0.00 174.74 172.70 3ic0 s LEU 3 N 2.29 4.21 0.43 8.88 1.43 -1.26 -5.08 118.68 129.57 3ic0 s LEU 3 Ca 0.18 0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 3ic0 s LEU 3 Cb -0.17 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 3ic0 s LEU 3 CO 0.00 -0.04 0.89 -0.89 0.23 0.00 0.00 176.35 176.54 3ic0 s THR 4 N -1.84 4.55 0.24 5.49 2.01 -1.26 -4.82 115.64 120.01 3ic0 s THR 4 Ca 0.41 1.18 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 3ic0 s THR 4 Cb -0.11 -3.66 0.21 0.00 0.01 0.00 0.00 72.50 68.94 3ic0 s THR 4 CO 0.27 -0.43 1.78 -0.65 -0.69 0.00 0.00 174.62 174.90 3ic0 h PRO 5 N 1.58 0.64 -0.28 4.92 0.11 -1.98 0.51 132.00 137.50 3ic0 h PRO 5 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ic0 h PRO 5 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ic0 h PRO 5 CO 0.62 0.42 0.17 1.49 -0.21 0.00 0.00 178.00 180.49 3ic0 h GLU 6 N 0.66 0.39 0.05 1.05 4.81 -2.00 -1.53 114.58 118.01 3ic0 h GLU 6 Ca 0.39 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3ic0 h GLU 6 Cb 0.44 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3ic0 h GLU 6 CO -0.29 0.31 -0.05 0.93 -0.73 0.00 0.00 179.01 179.18 3ic0 h GLU 7 N 0.35 -0.10 -0.90 1.92 5.08 -1.48 -1.01 114.58 118.45 3ic0 h GLU 7 Ca 0.10 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3ic0 h GLU 7 Cb 0.03 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 3ic0 h GLU 7 CO -0.02 -0.07 0.52 -0.22 -1.00 0.00 0.00 179.01 178.22 3ic0 h LYS 8 N -0.11 0.77 -0.41 2.33 3.64 0.10 0.28 116.57 123.17 3ic0 h LYS 8 Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3ic0 h LYS 8 Cb 0.10 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3ic0 h LYS 8 CO -0.01 0.51 -0.18 0.77 -2.27 0.00 0.00 179.45 178.27 3ic0 h SER 9 N 0.79 0.87 -0.33 4.20 0.02 -0.83 -1.66 113.55 116.61 3ic0 h SER 9 Ca 0.47 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3ic0 h SER 9 Cb 0.56 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3ic0 h SER 9 CO -0.31 1.07 -0.12 0.00 -1.14 0.00 0.00 176.83 176.34 3ic0 h ALA 10 N 0.83 0.99 -0.11 3.77 0.00 0.15 -0.53 119.26 124.35 3ic0 h ALA 10 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ic0 h ALA 10 Cb 0.74 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ic0 h ALA 10 CO 0.06 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.18 3ic0 h VAL 11 N 0.70 1.27 -0.39 0.00 2.07 -0.39 -2.10 116.25 117.40 3ic0 h VAL 11 Ca 0.12 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3ic0 h VAL 11 Cb 0.60 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3ic0 h VAL 11 CO 0.04 0.25 -0.08 0.74 0.02 0.00 0.00 177.57 178.55 3ic0 h THR 12 N -0.10 1.24 -0.01 2.57 2.02 -1.21 -0.51 112.91 116.92 3ic0 h THR 12 Ca 0.03 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 3ic0 h THR 12 Cb 0.40 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3ic0 h THR 12 CO 0.01 0.36 0.00 0.00 0.37 0.00 0.00 175.52 176.26 3ic0 h ALA 13 N 1.30 0.01 -0.49 6.16 0.00 -1.00 -2.23 119.26 123.01 3ic0 h ALA 13 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ic0 h ALA 13 Cb 0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ic0 h ALA 13 CO 0.03 -0.42 0.06 1.25 0.00 0.00 0.00 179.25 180.16 3ic0 h LEU 14 N -0.11 0.80 -1.52 0.00 5.85 -1.22 -3.08 115.31 116.03 3ic0 h LEU 14 Ca 0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3ic0 h LEU 14 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3ic0 h LEU 14 CO -0.00 0.87 0.23 -0.25 -0.34 0.00 0.00 178.44 178.95 3ic0 h TRP 15 N 0.70 0.53 0.00 1.25 2.91 -1.00 0.65 115.95 121.00 3ic0 h TRP 15 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3ic0 h TRP 15 Cb 0.42 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 3ic0 h TRP 15 CO 0.03 0.37 0.00 0.78 -1.03 0.00 0.00 178.44 178.59 3ic0 h GLY 16 N 0.62 0.00 -1.16 2.65 0.00 -1.31 -0.42 103.07 103.45 3ic0 h GLY 16 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3ic0 h GLY 16 CO -0.03 0.00 -0.26 0.28 0.00 0.00 0.00 176.54 176.53 3ic0 n LYS 17 N -2.54 1.59 -2.44 4.80 5.02 0.22 -4.95 118.16 119.86 3ic0 n LYS 17 Ca -0.01 -1.27 -0.42 0.00 -2.02 0.00 0.00 58.31 54.59 3ic0 n LYS 17 Cb 0.08 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.28 4.10 -0.53 -0.18 1.01 -0.17 -4.96 120.40 117.39 3ic0 s VAL 18 Ca 0.24 1.51 -0.27 0.00 0.00 0.00 0.00 61.98 63.45 3ic0 s VAL 18 Cb 0.19 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3ic0 s VAL 18 CO 0.46 0.11 1.65 0.21 0.00 0.00 0.00 175.10 177.52 3ic0 s ASN 19 N 1.10 5.78 0.12 3.32 3.84 -1.26 -4.85 114.94 122.99 3ic0 s ASN 19 Ca 0.58 0.51 0.14 0.00 0.21 0.00 0.00 52.86 54.30 3ic0 s ASN 19 Cb -0.29 -2.54 0.64 0.00 -0.55 0.00 0.00 41.25 38.52 3ic0 s ASN 19 CO 0.29 -1.95 1.44 1.33 -2.79 0.00 0.00 177.10 175.42 3ic0 n VAL 20 N 7.09 1.22 0.55 -5.21 0.24 -1.26 -1.89 118.33 119.08 3ic0 n VAL 20 Ca 0.17 0.40 0.11 0.00 -2.04 0.00 0.00 64.34 62.98 3ic0 n VAL 20 Cb 0.50 -1.30 0.07 0.00 -1.47 0.00 0.00 33.84 31.63 3ic0 n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ic0 n ASP 21 N -1.81 0.64 0.00 -1.34 8.00 -1.26 -4.65 116.55 116.13 3ic0 n ASP 21 Ca 0.01 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3ic0 n ASP 21 Cb 0.12 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 3ic0 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ic0 n GLU 22 N -2.03 1.40 -0.28 -1.24 1.02 -0.97 -4.78 120.64 113.76 3ic0 n GLU 22 Ca 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3ic0 n GLU 22 Cb 0.44 -0.96 0.11 0.00 -0.02 0.00 0.00 31.44 31.01 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 1.06 -0.71 2.62 2.07 -1.64 -1.55 116.25 118.10 3ic0 h VAL 23 Ca 0.00 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3ic0 h VAL 23 Cb 0.92 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3ic0 h VAL 23 CO 0.00 0.17 0.17 1.23 0.02 0.00 0.00 177.57 179.15 3ic0 h GLY 24 N 0.91 1.23 1.39 2.17 0.00 -1.83 -0.69 103.07 106.25 3ic0 h GLY 24 Ca 0.33 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3ic0 h GLY 24 CO -0.15 0.73 -0.34 -1.33 0.00 0.00 0.00 176.54 175.45 3ic0 h GLY 25 N 1.08 0.74 0.95 4.60 0.00 -1.59 -0.44 103.07 108.41 3ic0 h GLY 25 Ca 0.22 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3ic0 h GLY 25 CO 0.00 0.64 0.18 -2.09 0.00 0.00 0.00 176.54 175.27 3ic0 h GLU 26 N 0.57 0.64 -0.15 4.80 4.57 -1.08 0.18 114.58 124.12 3ic0 h GLU 26 Ca 0.06 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3ic0 h GLU 26 Cb 0.86 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3ic0 h GLU 26 CO 0.07 0.58 0.02 0.00 -1.18 0.00 0.00 179.01 178.51 3ic0 h ALA 27 N 1.02 0.20 -0.38 2.92 0.00 -0.92 0.04 119.26 122.15 3ic0 h ALA 27 Ca 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ic0 h ALA 27 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ic0 h ALA 27 CO -0.01 -0.13 0.06 1.25 0.00 0.00 0.00 179.25 180.42 3ic0 h LEU 28 N 0.02 0.60 -0.82 0.00 5.85 -1.06 -0.36 115.31 119.54 3ic0 h LEU 28 Ca 0.04 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.55 3ic0 h LEU 28 Cb 0.32 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3ic0 h LEU 28 CO 0.00 0.71 0.51 1.23 -0.34 0.00 0.00 178.44 180.56 3ic0 h GLY 29 N 0.47 1.21 1.34 3.75 0.00 -0.53 -1.77 103.07 107.55 3ic0 h GLY 29 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3ic0 h GLY 29 CO 0.01 0.29 0.01 3.21 0.00 0.00 0.00 176.54 180.06 3ic0 h ARG 30 N 0.97 0.80 -0.08 4.80 3.08 -0.65 -1.56 114.38 121.75 3ic0 h ARG 30 Ca 0.34 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3ic0 h ARG 30 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3ic0 h ARG 30 CO -0.15 0.80 -0.15 1.25 -1.07 0.00 0.00 179.97 180.65 3ic0 h LEU 31 N 0.75 -0.46 -1.39 3.04 5.85 -0.22 0.38 115.31 123.26 3ic0 h LEU 31 Ca 0.15 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ic0 h LEU 31 Cb 0.44 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3ic0 h LEU 31 CO 0.02 -0.20 0.37 -0.07 -0.34 0.00 0.00 178.44 178.21 3ic0 h LEU 32 N -0.21 0.68 0.13 2.25 3.38 -1.24 0.12 115.31 120.42 3ic0 h LEU 32 Ca 0.08 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3ic0 h LEU 32 Cb 0.32 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ic0 h LEU 32 CO -0.20 0.51 -0.80 0.58 0.09 0.00 0.00 178.44 178.61 3ic0 h VAL 33 N 0.80 1.50 -0.15 1.22 2.07 -0.72 -3.21 116.25 117.76 3ic0 h VAL 33 Ca 0.21 -2.49 -0.20 0.00 0.82 0.00 0.00 66.70 65.03 3ic0 h VAL 33 Cb -0.06 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3ic0 h VAL 33 CO -0.04 0.71 -0.72 0.58 0.02 0.00 0.00 177.57 178.11 3ic0 h VAL 34 N -0.33 1.31 -2.90 2.57 2.07 -0.18 -3.34 116.25 115.45 3ic0 h VAL 34 Ca -0.14 -1.97 -0.61 0.00 0.82 0.00 0.00 66.70 64.80 3ic0 h VAL 34 Cb 1.62 1.95 -0.42 0.00 -1.52 0.00 0.00 31.29 32.93 3ic0 h VAL 34 CO 0.15 0.62 -0.62 -1.22 0.02 0.00 0.00 177.57 176.52 3ic0 n TYR 35 N -3.92 2.85 -0.01 1.57 4.01 0.02 -4.99 117.16 116.70 3ic0 n TYR 35 Ca -0.06 -4.19 0.22 0.00 -0.16 0.00 0.00 57.90 53.71 3ic0 n TYR 35 Cb 0.71 -0.53 0.72 0.00 -0.31 0.00 0.00 39.34 39.94 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 5.26 0.00 0.00 -0.72 0.13 -1.68 -1.15 132.00 133.84 3ic0 h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3ic0 h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3ic0 h PRO 36 CO 0.69 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.55 3ic0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.24 115.95 114.44 3ic0 h TRP 37 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.25 3ic0 h TRP 37 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.46 3ic0 h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 3ic0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.51 -2.09 112.91 110.77 3ic0 h THR 38 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3ic0 h THR 38 Cb 0.22 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3ic0 h THR 38 CO 0.00 0.00 -0.03 1.56 -0.25 0.00 0.00 175.52 176.81 3ic0 h GLN 39 N 0.00 0.00 -0.53 4.72 4.20 -1.43 -2.33 115.11 119.75 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 0.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3ic0 h GLN 39 CO 0.00 0.03 0.35 -0.09 -0.67 0.00 0.00 178.83 178.45 3ic0 h ARG 40 N 0.00 0.52 0.00 1.46 2.43 -1.57 -0.83 114.38 116.39 3ic0 h ARG 40 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ic0 h ARG 40 Cb 0.09 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3ic0 h ARG 40 CO 0.00 0.34 0.00 0.74 -1.51 0.00 0.00 179.97 179.54 3ic0 h PHE 41 N 0.53 0.00 0.00 2.20 0.04 -1.63 -3.22 116.94 114.86 3ic0 h PHE 41 Ca 0.22 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 3ic0 h PHE 41 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3ic0 h PHE 41 CO -0.00 0.00 -0.19 1.19 -0.60 0.00 0.00 178.31 178.71 3ic0 n PHE 42 N -2.39 0.00 0.30 -0.55 3.72 -0.36 -4.77 117.46 113.41 3ic0 n PHE 42 Ca 0.03 -1.07 0.19 0.00 -0.05 0.00 0.00 57.45 56.54 3ic0 n PHE 42 Cb 0.29 -0.17 0.98 0.00 -0.94 0.00 0.00 39.48 39.64 3ic0 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ic0 h GLU 43 N 0.30 0.00 0.00 -1.08 5.08 -1.46 -0.18 114.58 117.23 3ic0 h GLU 43 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ic0 h GLU 43 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3ic0 h GLU 43 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3ic0 n SER 44 N -3.29 0.00 -0.10 1.42 3.41 -1.26 -3.23 113.62 110.57 3ic0 n SER 44 Ca -0.01 -0.63 0.15 0.00 -0.26 0.00 0.00 58.87 58.12 3ic0 n SER 44 Cb 0.23 -0.12 0.78 0.00 -0.26 0.00 0.00 64.21 64.84 3ic0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ic0 n PHE 45 N -1.12 0.00 -0.58 7.33 3.01 -0.08 -5.04 117.46 120.98 3ic0 n PHE 45 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 3ic0 n PHE 45 Cb 0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3ic0 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ic0 n GLY 46 N 1.14 0.44 3.63 1.37 0.00 -1.20 -4.73 105.19 105.84 3ic0 n GLY 46 Ca 0.20 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 6.28 -0.12 1.61 -1.08 -1.26 -4.80 116.67 113.29 3ic0 s ASP 47 Ca 0.00 1.91 0.21 0.00 -0.52 0.00 0.00 52.55 54.15 3ic0 s ASP 47 Cb 0.00 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 3ic0 s ASP 47 CO 0.00 -1.30 1.16 0.18 0.52 0.00 0.00 175.17 175.74 3ic0 n LEU 48 N 8.66 1.74 0.26 -1.34 4.77 -1.26 -4.34 117.00 125.49 3ic0 n LEU 48 Ca 0.21 -2.79 0.15 0.00 -0.03 0.00 0.00 56.01 53.54 3ic0 n LEU 48 Cb 0.44 0.01 0.57 0.00 -2.33 0.00 0.00 43.42 42.11 3ic0 n LEU 48 CO 0.65 0.91 0.92 0.77 -1.33 0.00 0.00 177.39 179.32 3ic0 h SER 49 N 1.51 0.00 -5.27 -1.43 4.64 -1.92 -3.44 113.55 107.65 3ic0 h SER 49 Ca -0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 3ic0 h SER 49 Cb 1.56 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.53 3ic0 h SER 49 CO 0.16 0.07 -0.29 0.42 -0.87 0.00 0.00 176.83 176.32 3ic0 s THR 50 N -3.62 0.05 0.17 2.95 -4.23 -1.26 -5.02 115.64 104.68 3ic0 s THR 50 Ca 0.02 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 3ic0 s THR 50 Cb 0.09 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 72.10 3ic0 s THR 50 CO 0.58 -0.23 1.68 -0.65 -0.54 0.00 0.00 174.62 175.47 3ic0 h PRO 51 N 2.48 0.05 -0.69 3.99 0.11 -1.98 -0.49 132.00 135.47 3ic0 h PRO 51 Ca -0.31 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3ic0 h PRO 51 Cb 1.23 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3ic0 h PRO 51 CO 0.46 0.03 0.39 -0.44 -0.21 0.00 0.00 178.00 178.24 3ic0 h ASP 52 N 0.05 0.84 -0.46 -2.05 3.32 -1.98 -0.66 116.42 115.50 3ic0 h ASP 52 Ca 0.19 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3ic0 h ASP 52 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ic0 h ASP 52 CO -0.36 0.67 -0.21 0.00 -1.72 0.00 0.00 179.24 177.62 3ic0 h ALA 53 N 1.47 0.64 0.20 3.45 0.00 -1.70 0.31 119.26 123.63 3ic0 h ALA 53 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ic0 h ALA 53 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ic0 h ALA 53 CO -0.04 0.62 -0.09 0.28 0.00 0.00 0.00 179.25 180.01 3ic0 h VAL 54 N 0.79 0.86 0.00 0.00 2.07 -0.65 0.15 116.25 119.47 3ic0 h VAL 54 Ca 0.10 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3ic0 h VAL 54 Cb 0.78 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3ic0 h VAL 54 CO 0.06 0.06 -0.19 0.24 0.02 0.00 0.00 177.57 177.76 3ic0 h MET 55 N -0.39 0.00 -0.02 1.57 2.07 -1.11 -2.50 114.93 114.54 3ic0 h MET 55 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3ic0 h MET 55 Cb 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 3ic0 h MET 55 CO 0.04 0.19 -0.15 0.41 1.07 0.00 0.00 176.91 178.48 3ic0 n GLY 56 N -0.70 0.44 3.65 8.32 0.00 0.09 -4.91 105.19 112.08 3ic0 n GLY 56 Ca -0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3ic0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ic0 s ASN 57 N -2.17 6.54 0.25 1.61 3.84 0.49 -4.92 114.94 120.58 3ic0 s ASN 57 Ca 0.27 2.05 -0.03 0.00 0.21 0.00 0.00 52.86 55.36 3ic0 s ASN 57 Cb 0.20 -2.53 0.45 0.00 -0.55 0.00 0.00 41.25 38.81 3ic0 s ASN 57 CO 0.40 -1.06 1.77 -0.65 -2.79 0.00 0.00 177.10 174.77 3ic0 h PRO 58 N 10.07 0.63 0.00 0.43 0.11 -1.89 -1.62 132.00 139.73 3ic0 h PRO 58 Ca -0.38 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 3ic0 h PRO 58 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ic0 h PRO 58 CO 0.97 0.41 -0.43 0.87 -0.21 0.00 0.00 178.00 179.61 3ic0 h LYS 59 N 0.65 0.00 -0.20 1.05 1.57 -1.91 -0.72 116.57 117.00 3ic0 h LYS 59 Ca 0.42 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.15 3ic0 h LYS 59 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3ic0 h LYS 59 CO -0.32 0.43 -0.06 0.28 -0.57 0.00 0.00 179.45 179.22 3ic0 h VAL 60 N 0.00 1.29 -0.48 0.50 2.07 -1.64 0.15 116.25 118.14 3ic0 h VAL 60 Ca -0.00 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3ic0 h VAL 60 Cb 0.81 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3ic0 h VAL 60 CO 0.06 0.32 0.11 0.50 0.02 0.00 0.00 177.57 178.58 3ic0 h LYS 61 N 0.12 0.77 -0.16 1.57 3.64 -1.19 0.54 116.57 121.86 3ic0 h LYS 61 Ca 0.05 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3ic0 h LYS 61 Cb 0.52 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3ic0 h LYS 61 CO 0.02 0.75 0.05 0.00 -2.27 0.00 0.00 179.45 178.01 3ic0 h ALA 62 N 0.98 0.21 -0.71 5.00 0.00 -1.10 -2.73 119.26 120.90 3ic0 h ALA 62 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ic0 h ALA 62 Cb 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ic0 h ALA 62 CO 0.00 -0.18 0.38 1.25 0.00 0.00 0.00 179.25 180.70 3ic0 h HIS 63 N 0.08 0.98 -0.48 0.00 -0.00 -0.86 -2.36 115.15 112.50 3ic0 h HIS 63 Ca 0.05 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.48 3ic0 h HIS 63 Cb 0.21 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 3ic0 h HIS 63 CO -0.00 0.69 0.33 0.78 -0.00 0.00 0.00 177.93 179.73 3ic0 h GLY 64 N 1.05 0.40 1.34 5.26 0.00 -0.60 -0.66 103.07 109.86 3ic0 h GLY 64 Ca 0.25 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 3ic0 h GLY 64 CO -0.04 0.08 -0.06 0.50 0.00 0.00 0.00 176.54 177.03 3ic0 h LYS 65 N 0.30 0.80 -0.40 4.80 1.57 -1.15 0.57 116.57 123.05 3ic0 h LYS 65 Ca 0.22 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3ic0 h LYS 65 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3ic0 h LYS 65 CO -0.05 0.84 0.01 0.87 -0.57 0.00 0.00 179.45 180.56 3ic0 h LYS 66 N 0.73 0.70 -0.36 3.15 1.57 -1.17 0.11 116.57 121.30 3ic0 h LYS 66 Ca 0.13 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ic0 h LYS 66 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3ic0 h LYS 66 CO 0.03 0.78 0.20 0.28 -0.57 0.00 0.00 179.45 180.17 3ic0 h VAL 67 N 0.53 1.14 -0.72 0.50 2.07 -1.16 -1.32 116.25 117.30 3ic0 h VAL 67 Ca 0.12 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ic0 h VAL 67 Cb 0.46 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3ic0 h VAL 67 CO 0.02 0.14 0.45 0.25 0.02 0.00 0.00 177.57 178.45 3ic0 h LEU 68 N 0.45 0.84 -0.74 2.57 5.85 -0.70 -1.79 115.31 121.79 3ic0 h LEU 68 Ca 0.13 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3ic0 h LEU 68 Cb 0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3ic0 h LEU 68 CO -0.02 0.62 0.47 1.23 -0.34 0.00 0.00 178.44 180.41 3ic0 h GLY 69 N 0.99 1.07 1.44 3.75 0.00 -0.24 -1.47 103.07 108.61 3ic0 h GLY 69 Ca 0.26 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 3ic0 h GLY 69 CO -0.05 0.31 -0.09 0.00 0.00 0.00 0.00 176.54 176.71 3ic0 h ALA 70 N 1.31 1.11 -0.59 3.60 0.00 -0.54 -2.10 119.26 122.05 3ic0 h ALA 70 Ca 0.29 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ic0 h ALA 70 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ic0 h ALA 70 CO -0.10 0.56 0.02 0.74 0.00 0.00 0.00 179.25 180.47 3ic0 h PHE 71 N 0.62 1.11 -0.45 0.00 0.04 -0.77 -1.02 116.94 116.47 3ic0 h PHE 71 Ca 0.11 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.71 3ic0 h PHE 71 Cb 0.53 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3ic0 h PHE 71 CO 0.02 0.98 0.29 0.77 -0.60 0.00 0.00 178.31 179.77 3ic0 h SER 72 N 0.92 0.48 -0.64 2.17 0.02 -0.97 0.68 113.55 116.21 3ic0 h SER 72 Ca 0.17 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 3ic0 h SER 72 Cb 0.52 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 3ic0 h SER 72 CO 0.03 0.35 0.36 0.44 -1.14 0.00 0.00 176.83 176.86 3ic0 h ASP 73 N 0.58 0.53 -0.52 3.07 3.32 -1.14 -0.19 116.42 122.06 3ic0 h ASP 73 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ic0 h ASP 73 Cb -0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3ic0 h ASP 73 CO -0.05 0.35 0.34 1.23 -1.72 0.00 0.00 179.24 179.38 3ic0 h GLY 74 N 0.66 0.74 1.39 2.75 0.00 -0.51 -1.68 103.07 106.42 3ic0 h GLY 74 Ca 0.29 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3ic0 h GLY 74 CO -0.18 0.28 0.31 1.41 0.00 0.00 0.00 176.54 178.36 3ic0 h LEU 75 N 0.71 0.40 -0.12 3.11 3.38 0.65 -1.29 115.31 122.14 3ic0 h LEU 75 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ic0 h LEU 75 Cb -0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ic0 h LEU 75 CO -0.04 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3ic0 h ALA 76 N 1.74 1.00 -1.17 1.53 0.00 -0.40 -3.33 119.26 118.62 3ic0 h ALA 76 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.64 3ic0 h ALA 76 Cb 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.57 3ic0 h ALA 76 CO -0.05 0.00 -0.97 0.72 0.00 0.00 0.00 179.25 178.95 3ic0 n HIS 77 N -2.67 2.22 0.25 0.00 8.25 -0.55 -4.86 115.22 117.86 3ic0 n HIS 77 Ca 0.04 -2.85 0.16 0.00 -0.26 0.00 0.00 57.72 54.81 3ic0 n HIS 77 Cb 0.46 -0.24 0.88 0.00 1.12 0.00 0.00 29.99 32.20 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 2.75 0.00 -0.99 2.41 3.38 -1.52 -1.12 115.31 120.21 3ic0 h LEU 78 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3ic0 h LEU 78 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ic0 h LEU 78 CO 0.64 0.00 -0.33 -2.24 0.09 0.00 0.00 178.44 176.60 3ic0 h ASP 79 N 0.00 0.32 -2.06 -0.43 3.04 -1.88 0.37 116.42 115.78 3ic0 h ASP 79 Ca 0.04 -0.12 -0.57 0.00 -3.24 0.00 0.00 57.03 53.15 3ic0 h ASP 79 Cb 0.27 -0.09 -0.39 0.00 -1.04 0.00 0.00 39.33 38.08 3ic0 h ASP 79 CO -0.00 0.64 -1.05 -3.20 -2.04 0.00 0.00 179.24 173.59 3ic0 n ASN 80 N -4.08 0.43 -0.08 4.15 5.15 -0.43 -4.73 115.26 115.67 3ic0 n ASN 80 Ca -0.01 -2.73 -0.12 0.00 -0.60 0.00 0.00 54.58 51.12 3ic0 n ASN 80 Cb 0.43 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 39.00 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 4.18 0.46 -0.71 1.20 -0.00 -1.71 -2.60 115.31 116.12 3ic0 h LEU 81 Ca 0.10 -0.35 0.15 0.00 -0.00 0.00 0.00 57.88 57.78 3ic0 h LEU 81 Cb 0.86 -0.12 -0.13 0.00 -0.00 0.00 0.00 40.66 41.27 3ic0 h LEU 81 CO 0.49 0.70 -0.15 0.50 -0.00 0.00 0.00 178.44 179.98 3ic0 h LYS 82 N 0.21 0.01 0.00 1.13 3.64 -1.89 -0.12 116.57 119.55 3ic0 h LYS 82 Ca 0.06 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 3ic0 h LYS 82 Cb 0.49 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3ic0 h LYS 82 CO 0.02 0.01 -0.88 0.78 -2.27 0.00 0.00 179.45 177.11 3ic0 h GLY 83 N 0.01 0.24 1.66 5.01 0.00 -1.95 -3.08 103.07 104.98 3ic0 h GLY 83 Ca 0.35 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3ic0 h GLY 83 CO -0.72 0.38 -0.17 -0.84 0.00 0.00 0.00 176.54 175.19 3ic0 h THR 84 N 0.12 1.23 -0.57 4.70 2.02 -0.79 -3.11 112.91 116.52 3ic0 h THR 84 Ca -0.05 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3ic0 h THR 84 Cb 1.51 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3ic0 h THR 84 CO 0.14 0.33 0.00 0.49 0.37 0.00 0.00 175.52 176.85 3ic0 n PHE 85 N -4.19 1.31 -0.19 3.16 3.72 -0.19 -4.61 117.46 116.48 3ic0 n PHE 85 Ca -0.00 -0.63 -0.05 0.00 -0.05 0.00 0.00 57.45 56.72 3ic0 n PHE 85 Cb 0.34 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 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 3.57 0.72 -0.29 4.37 0.00 -1.46 0.58 119.26 126.74 3ic0 h ALA 86 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ic0 h ALA 86 Cb 1.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ic0 h ALA 86 CO 0.21 0.02 -0.28 1.15 0.00 0.00 0.00 179.25 180.34 3ic0 h THR 87 N 0.63 1.30 -0.48 0.00 2.02 -1.84 -2.36 112.91 112.17 3ic0 h THR 87 Ca 0.23 -1.45 -0.09 0.00 0.77 0.00 0.00 66.41 65.87 3ic0 h THR 87 Cb 0.07 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3ic0 h THR 87 CO -0.12 0.46 -0.05 -0.07 0.37 0.00 0.00 175.52 176.11 3ic0 h LEU 88 N 0.44 0.82 -0.35 2.58 3.38 -1.78 -2.12 115.31 118.28 3ic0 h LEU 88 Ca 0.05 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3ic0 h LEU 88 Cb 0.85 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3ic0 h LEU 88 CO 0.07 0.91 0.19 -1.28 0.09 0.00 0.00 178.44 178.42 3ic0 h SER 89 N 0.77 0.29 -0.48 -0.43 0.87 0.29 0.21 113.55 115.07 3ic0 h SER 89 Ca 0.14 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3ic0 h SER 89 Cb 0.53 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3ic0 h SER 89 CO 0.03 0.21 0.30 -0.08 -0.53 0.00 0.00 176.83 176.76 3ic0 h GLU 90 N 0.39 0.64 0.40 2.24 4.81 -1.29 0.14 114.58 121.91 3ic0 h GLU 90 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ic0 h GLU 90 Cb 0.03 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3ic0 h GLU 90 CO -0.08 0.46 -0.38 1.25 -0.73 0.00 0.00 179.01 179.52 3ic0 h LEU 91 N 0.64 -1.02 -1.36 1.64 5.85 -0.86 0.85 115.31 121.05 3ic0 h LEU 91 Ca 0.17 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3ic0 h LEU 91 Cb -0.03 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3ic0 h LEU 91 CO -0.03 -0.53 -0.32 0.45 -0.34 0.00 0.00 178.44 177.67 3ic0 h HIS 92 N -0.79 0.00 0.03 1.25 3.86 -0.82 0.26 115.15 118.94 3ic0 h HIS 92 Ca -0.03 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.96 3ic0 h HIS 92 Cb 0.70 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3ic0 h HIS 92 CO -0.20 0.32 -1.16 0.00 0.86 0.00 0.00 177.93 177.74 3ic0 h ASP 94 N -0.78 0.00 0.32 0.00 3.32 -0.92 -2.96 116.42 115.41 3ic0 h ASP 94 Ca -0.29 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.28 3ic0 h ASP 94 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3ic0 h ASP 94 CO -0.10 1.33 -0.16 0.11 -1.72 0.00 0.00 179.24 178.70 3ic0 h LYS 95 N -1.00 -0.42 0.10 3.56 6.56 -1.27 -3.38 116.57 120.72 3ic0 h LYS 95 Ca -0.26 0.03 -0.27 0.00 -1.06 0.00 0.00 60.65 59.08 3ic0 h LYS 95 Cb 1.14 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 3ic0 h LYS 95 CO -0.16 -0.09 -1.29 -0.07 -2.06 0.00 0.00 179.45 175.78 3ic0 h LEU 96 N -0.91 0.32 -1.21 2.94 3.38 -0.63 -3.49 115.31 115.71 3ic0 h LEU 96 Ca -0.04 -0.38 -0.35 0.00 0.09 0.00 0.00 57.88 57.20 3ic0 h LEU 96 Cb 0.52 -0.11 0.14 0.00 0.09 0.00 0.00 40.66 41.31 3ic0 h LEU 96 CO 0.07 1.30 -0.68 1.41 0.09 0.00 0.00 178.44 180.63 3ic0 n HIS 97 N -3.46 -2.45 -2.82 1.13 8.25 -0.16 -4.97 115.22 110.74 3ic0 n HIS 97 Ca -0.09 0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 3ic0 n HIS 97 Cb 1.02 -4.87 -0.03 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.32 4.87 0.22 1.59 1.01 -0.69 -5.00 120.40 119.08 3ic0 s VAL 98 Ca 0.32 1.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.80 3ic0 s VAL 98 Cb -0.14 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3ic0 s VAL 98 CO 0.69 0.08 1.55 -0.62 0.00 0.00 0.00 175.10 176.80 3ic0 s ASP 99 N 1.05 6.54 0.55 3.32 2.15 -1.26 -4.82 116.67 124.21 3ic0 s ASP 99 Ca 0.44 2.72 0.30 0.00 0.43 0.00 0.00 52.55 56.43 3ic0 s ASP 99 Cb -0.18 -2.61 1.46 0.00 -0.30 0.00 0.00 42.92 41.29 3ic0 s ASP 99 CO 0.18 -0.82 1.91 -0.65 -0.17 0.00 0.00 175.17 175.62 3ic0 h PRO 100 N 5.89 0.00 -0.20 4.34 0.11 -1.97 0.20 132.00 140.36 3ic0 h PRO 100 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3ic0 h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ic0 h PRO 100 CO 0.85 0.00 0.15 1.49 -0.21 0.00 0.00 178.00 180.29 3ic0 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -2.00 -0.82 114.58 117.38 3ic0 h GLU 101 Ca 0.33 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.40 3ic0 h GLU 101 Cb 1.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.00 3ic0 h GLU 101 CO -0.00 0.00 -0.51 -0.91 -1.18 0.00 0.00 179.01 176.41 3ic0 h ASN 102 N 0.00 0.00 -0.84 1.04 2.35 -0.95 -2.97 115.58 114.21 3ic0 h ASN 102 Ca 0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3ic0 h ASN 102 Cb 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3ic0 h ASN 102 CO -0.00 0.51 0.38 -0.26 -1.65 0.00 0.00 177.43 176.41 3ic0 h PHE 103 N 0.00 1.23 -0.39 1.19 0.04 -1.27 -1.90 116.94 115.83 3ic0 h PHE 103 Ca -0.01 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 3ic0 h PHE 103 Cb 0.94 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3ic0 h PHE 103 CO 0.00 0.90 -0.02 0.00 -0.60 0.00 0.00 178.31 178.59 3ic0 h ARG 104 N 1.20 0.62 -0.25 1.51 3.08 -1.53 -2.04 114.38 116.96 3ic0 h ARG 104 Ca 0.28 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3ic0 h ARG 104 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3ic0 h ARG 104 CO -0.03 0.65 0.06 -0.07 -1.07 0.00 0.00 179.97 179.51 3ic0 h LEU 105 N 0.59 0.38 -0.58 3.04 3.38 -1.21 -0.58 115.31 120.33 3ic0 h LEU 105 Ca 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3ic0 h LEU 105 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ic0 h LEU 105 CO 0.02 0.51 0.24 0.25 0.09 0.00 0.00 178.44 179.55 3ic0 h LEU 106 N 0.23 0.79 -0.73 1.67 5.85 -1.31 0.61 115.31 122.42 3ic0 h LEU 106 Ca 0.08 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3ic0 h LEU 106 Cb 0.28 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3ic0 h LEU 106 CO 0.00 0.73 0.48 1.23 -0.34 0.00 0.00 178.44 180.54 3ic0 h GLY 107 N 0.79 1.04 1.82 3.75 0.00 -1.22 0.10 103.07 109.35 3ic0 h GLY 107 Ca 0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 3ic0 h GLY 107 CO -0.02 0.35 -0.65 3.43 0.00 0.00 0.00 176.54 179.66 3ic0 h ASN 108 N 0.96 0.21 -0.58 0.19 2.35 -0.63 -2.19 115.58 115.89 3ic0 h ASN 108 Ca 0.28 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3ic0 h ASN 108 Cb -0.08 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3ic0 h ASN 108 CO -0.07 0.80 0.17 0.58 -1.65 0.00 0.00 177.43 177.25 3ic0 h VAL 109 N 0.13 1.24 -0.80 2.81 2.07 -0.41 -1.05 116.25 120.25 3ic0 h VAL 109 Ca -0.01 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3ic0 h VAL 109 Cb 1.17 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 3ic0 h VAL 109 CO 0.10 0.32 0.47 0.25 0.02 0.00 0.00 177.57 178.73 3ic0 h LEU 110 N 0.82 0.72 -0.90 2.57 5.85 -0.59 0.04 115.31 123.81 3ic0 h LEU 110 Ca 0.18 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3ic0 h LEU 110 Cb 0.31 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3ic0 h LEU 110 CO -0.00 0.45 0.46 0.58 -0.34 0.00 0.00 178.44 179.59 3ic0 h VAL 111 N 0.84 1.26 -0.78 1.05 2.07 -0.97 -0.22 116.25 119.50 3ic0 h VAL 111 Ca 0.36 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3ic0 h VAL 111 Cb 0.23 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3ic0 h VAL 111 CO -0.20 0.30 0.32 0.00 0.02 0.00 0.00 177.57 178.02 3ic0 h VAL 113 N 1.13 1.22 -0.52 0.00 2.07 -0.28 0.39 116.25 120.27 3ic0 h VAL 113 Ca 0.26 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3ic0 h VAL 113 Cb 0.19 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3ic0 h VAL 113 CO -0.02 0.27 0.33 -0.07 0.02 0.00 0.00 177.57 178.10 3ic0 h LEU 114 N 0.64 0.57 -0.38 2.57 3.38 -0.72 -0.07 115.31 121.30 3ic0 h LEU 114 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ic0 h LEU 114 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ic0 h LEU 114 CO -0.01 0.41 0.24 0.00 0.09 0.00 0.00 178.44 179.17 3ic0 h ALA 115 N 1.20 0.48 -0.55 1.53 0.00 -1.05 0.16 119.26 121.03 3ic0 h ALA 115 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ic0 h ALA 115 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3ic0 h ALA 115 CO -0.06 -0.05 0.33 1.25 0.00 0.00 0.00 179.25 180.72 3ic0 h HIS 116 N 0.50 0.61 -0.13 0.00 -0.00 -0.49 -0.31 115.15 115.33 3ic0 h HIS 116 Ca 0.14 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.36 3ic0 h HIS 116 Cb -0.04 -0.19 0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3ic0 h HIS 116 CO -0.05 0.34 -0.55 0.45 -0.00 0.00 0.00 177.93 178.13 3ic0 h HIS 117 N 0.64 0.80 -0.01 5.26 -0.00 -0.78 -3.36 115.15 117.71 3ic0 h HIS 117 Ca 0.22 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 3ic0 h HIS 117 Cb 0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 3ic0 h HIS 117 CO -0.06 1.13 -0.37 1.19 -0.00 0.00 0.00 177.93 179.82 3ic0 n PHE 118 N -4.17 0.00 -1.27 2.45 3.72 0.55 -5.05 117.46 113.70 3ic0 n PHE 118 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3ic0 n PHE 118 Cb 0.62 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.38 2.63 0.35 1.37 0.00 -0.13 -1.82 105.19 108.96 3ic0 n GLY 119 Ca 0.11 -0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.12 3ic0 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ic0 h LYS 120 N 0.00 0.00 0.00 1.61 1.79 -1.97 -0.31 116.57 117.69 3ic0 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3ic0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ic0 h LYS 120 CO 0.00 0.00 -0.12 1.49 -1.08 0.00 0.00 179.45 179.74 3ic0 h GLU 121 N 0.00 0.00 -4.49 3.15 4.81 -1.75 -3.24 114.58 113.05 3ic0 h GLU 121 Ca 0.06 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.55 3ic0 h GLU 121 Cb 0.61 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.83 3ic0 h GLU 121 CO -0.00 0.12 1.69 0.34 -0.73 0.00 0.00 179.01 180.44 3ic0 n PHE 122 N -3.54 4.34 -1.49 0.92 7.35 -0.13 -4.93 117.46 119.98 3ic0 n PHE 122 Ca -0.01 -3.14 -0.30 0.00 -0.76 0.00 0.00 57.45 53.24 3ic0 n PHE 122 Cb 0.27 -2.18 0.11 0.00 0.35 0.00 0.00 39.48 38.02 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 1.57 2.68 0.23 -2.13 -4.23 -1.23 -4.73 115.64 107.80 3ic0 s THR 123 Ca 0.43 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 3ic0 s THR 123 Cb 0.02 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 71.13 3ic0 s THR 123 CO 0.01 -0.29 1.82 -0.65 -0.54 0.00 0.00 174.62 174.97 3ic0 h PRO 124 N -1.29 0.80 -0.29 3.99 0.11 -1.94 0.15 132.00 133.54 3ic0 h PRO 124 Ca -0.49 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 3ic0 h PRO 124 Cb 1.29 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ic0 h PRO 124 CO 0.59 0.53 -0.21 -1.35 -0.21 0.00 0.00 178.00 177.35 3ic0 h PRO 125 N 0.82 0.54 -0.61 1.05 0.11 -1.99 0.01 132.00 131.93 3ic0 h PRO 125 Ca 0.37 -0.19 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3ic0 h PRO 125 Cb 0.26 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3ic0 h PRO 125 CO -0.21 0.72 0.08 0.28 -0.21 0.00 0.00 178.00 178.67 3ic0 h VAL 126 N 0.48 1.25 -0.39 3.15 2.07 -1.61 -2.11 116.25 119.09 3ic0 h VAL 126 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3ic0 h VAL 126 Cb 0.63 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ic0 h VAL 126 CO 0.05 0.37 0.12 -0.61 0.02 0.00 0.00 177.57 177.52 3ic0 h GLN 127 N 0.94 0.61 -0.96 1.57 4.15 -0.11 -2.04 115.11 119.27 3ic0 h GLN 127 Ca 0.19 -0.13 0.12 0.00 0.77 0.00 0.00 58.65 59.60 3ic0 h GLN 127 Cb 0.43 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.95 3ic0 h GLN 127 CO 0.01 0.62 0.59 0.00 -1.93 0.00 0.00 178.83 178.12 3ic0 h ALA 128 N 0.97 1.45 -0.16 3.38 0.00 -0.63 0.25 119.26 124.52 3ic0 h ALA 128 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ic0 h ALA 128 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ic0 h ALA 128 CO -0.00 0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.46 3ic0 h ALA 129 N 1.53 0.20 -0.09 0.00 0.00 -1.08 -2.70 119.26 117.12 3ic0 h ALA 129 Ca 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3ic0 h ALA 129 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ic0 h ALA 129 CO -0.28 -0.19 -0.12 1.88 0.00 0.00 0.00 179.25 180.53 3ic0 h TYR 130 N 0.09 0.14 -0.52 0.00 0.05 -0.50 -2.20 116.97 114.03 3ic0 h TYR 130 Ca 0.05 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 3ic0 h TYR 130 Cb 0.19 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3ic0 h TYR 130 CO -0.01 0.27 -0.01 1.96 -1.05 0.00 0.00 178.16 179.32 3ic0 h GLN 131 N 0.13 0.89 -0.54 4.88 1.08 -0.30 0.14 115.11 121.40 3ic0 h GLN 131 Ca 0.03 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 56.92 3ic0 h GLN 131 Cb 0.31 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3ic0 h GLN 131 CO 0.02 0.88 0.15 0.87 -0.95 0.00 0.00 178.83 179.80 3ic0 h LYS 132 N 0.82 0.85 0.07 1.46 1.57 -1.13 -0.92 116.57 119.29 3ic0 h LYS 132 Ca 0.15 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ic0 h LYS 132 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3ic0 h LYS 132 CO 0.02 0.79 -0.04 0.28 -0.57 0.00 0.00 179.45 179.94 3ic0 h VAL 133 N 0.75 0.94 0.00 0.50 2.07 -0.81 -0.60 116.25 119.10 3ic0 h VAL 133 Ca 0.17 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 3ic0 h VAL 133 Cb 0.31 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3ic0 h VAL 133 CO -0.00 0.01 -0.40 -0.37 0.02 0.00 0.00 177.57 176.82 3ic0 h VAL 134 N -0.11 0.96 -0.31 2.57 -1.51 -0.63 -1.77 116.25 115.45 3ic0 h VAL 134 Ca -0.01 -1.58 -0.11 0.00 -1.23 0.00 0.00 66.70 63.77 3ic0 h VAL 134 Cb 0.09 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 3ic0 h VAL 134 CO 0.02 0.39 -0.28 0.00 -1.23 0.00 0.00 177.57 176.47 3ic0 h ALA 135 N 1.60 0.94 -0.53 5.19 0.00 -0.89 -0.91 119.26 124.65 3ic0 h ALA 135 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3ic0 h ALA 135 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ic0 h ALA 135 CO 0.05 0.61 0.25 0.78 0.00 0.00 0.00 179.25 180.94 3ic0 h GLY 136 N 1.00 0.83 0.88 0.00 0.00 -0.51 0.12 103.07 105.39 3ic0 h GLY 136 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3ic0 h GLY 136 CO 0.06 0.40 0.04 -2.08 0.00 0.00 0.00 176.54 174.96 3ic0 h VAL 137 N 0.72 1.24 -0.52 4.60 2.07 -1.08 0.15 116.25 123.43 3ic0 h VAL 137 Ca 0.18 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3ic0 h VAL 137 Cb 0.13 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ic0 h VAL 137 CO -0.02 0.26 0.28 0.00 0.02 0.00 0.00 177.57 178.11 3ic0 h ALA 138 N 0.86 0.67 -0.50 1.67 0.00 -0.98 -0.51 119.26 120.47 3ic0 h ALA 138 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ic0 h ALA 138 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ic0 h ALA 138 CO 0.01 0.20 0.16 -0.91 0.00 0.00 0.00 179.25 178.70 3ic0 h ASN 139 N 0.70 0.68 0.19 0.00 2.35 -0.56 -1.98 115.58 116.95 3ic0 h ASN 139 Ca 0.18 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 3ic0 h ASN 139 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3ic0 h ASN 139 CO -0.03 0.64 -0.50 0.00 -1.65 0.00 0.00 177.43 175.90 3ic0 h ALA 140 N 1.46 0.91 0.00 -0.83 0.00 -0.01 -2.96 119.26 117.82 3ic0 h ALA 140 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ic0 h ALA 140 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ic0 h ALA 140 CO -0.01 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 3ic0 h LEU 141 N 0.28 0.00 -2.32 0.00 3.38 -0.69 -3.18 115.31 112.77 3ic0 h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ic0 h LEU 141 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ic0 h LEU 141 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3ic0 n ALA 142 N -2.07 2.59 0.32 1.53 0.00 -0.78 -4.37 120.51 117.73 3ic0 n ALA 142 Ca 0.04 -1.12 0.15 0.00 0.00 0.00 0.00 53.44 52.51 3ic0 n ALA 142 Cb 0.48 -0.98 0.57 0.00 0.00 0.00 0.00 19.45 19.53 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 3.43 0.00 0.00 0.00 6.17 -1.53 0.42 115.15 123.64 3ic0 h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3ic0 h HIS 143 Cb 0.93 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.86 3ic0 h HIS 143 CO 0.47 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.74 3ic0 n LYS 144 N -2.86 0.33 0.10 5.26 4.76 -1.26 -2.97 118.16 121.53 3ic0 n LYS 144 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3ic0 n LYS 144 Cb 0.32 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3ic0 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3ic0 n TYR 145 N -1.00 -1.53 -0.61 2.13 4.01 -1.16 -5.02 117.16 113.99 3ic0 n TYR 145 Ca 0.08 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 3ic0 n TYR 145 Cb 0.04 0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3ic0 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01