#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic2 n HIS 2 N 0.00 0.00 -2.51 6.34 8.25 -1.26 -4.85 115.22 121.19 3ic2 n HIS 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3ic2 n HIS 2 Cb 0.00 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 3ic2 n HIS 2 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ic2 n LEU 3 N -3.00 -3.19 -4.34 2.41 4.32 -1.26 -4.92 117.00 107.02 3ic2 n LEU 3 Ca -0.01 1.36 -0.29 0.00 -0.02 0.00 0.00 56.01 57.05 3ic2 n LEU 3 Cb 0.51 -1.93 0.24 0.00 -1.62 0.00 0.00 43.42 40.62 3ic2 n LEU 3 CO 0.00 -2.45 0.16 0.35 -1.22 0.00 0.00 177.39 174.24 3ic2 n THR 4 N 2.15 0.00 -0.32 -5.08 -2.24 -1.26 -4.38 114.28 103.16 3ic2 n THR 4 Ca -0.05 -0.34 0.02 0.00 -2.27 0.00 0.00 64.05 61.41 3ic2 n THR 4 Cb 0.07 -0.86 0.21 0.00 -2.10 0.00 0.00 70.33 67.65 3ic2 n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ic2 h PRO 5 N -2.75 1.09 -0.25 -0.78 0.11 -2.00 -1.08 132.00 126.34 3ic2 h PRO 5 Ca -0.55 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.32 3ic2 h PRO 5 Cb 1.31 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ic2 h PRO 5 CO 0.41 0.72 -0.53 1.49 -0.21 0.00 0.00 178.00 179.87 3ic2 h GLU 6 N 1.12 0.75 0.58 1.05 4.81 -1.99 -2.75 114.58 118.14 3ic2 h GLU 6 Ca 0.38 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3ic2 h GLU 6 Cb 0.07 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3ic2 h GLU 6 CO -0.12 1.09 -0.28 0.93 -0.73 0.00 0.00 179.01 179.89 3ic2 h GLU 7 N 0.58 -0.75 -1.09 1.92 5.08 -1.67 -1.95 114.58 116.69 3ic2 h GLU 7 Ca 0.02 0.05 0.30 0.00 -1.00 0.00 0.00 59.36 58.72 3ic2 h GLU 7 Cb 1.11 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 3ic2 h GLU 7 CO 0.11 -0.50 0.72 -0.22 -1.00 0.00 0.00 179.01 178.12 3ic2 h LYS 8 N -0.96 0.28 0.60 2.33 3.64 -1.34 0.60 116.57 121.73 3ic2 h LYS 8 Ca -0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3ic2 h LYS 8 Cb 0.60 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3ic2 h LYS 8 CO 0.13 0.19 -0.29 1.03 -2.27 0.00 0.00 179.45 178.24 3ic2 h SER 9 N 0.29 -0.68 -0.79 4.20 0.87 -1.31 -1.97 113.55 114.16 3ic2 h SER 9 Ca 0.61 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 61.14 3ic2 h SER 9 Cb 1.75 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.85 3ic2 h SER 9 CO -0.26 -0.46 0.33 0.00 -0.53 0.00 0.00 176.83 175.91 3ic2 h ALA 10 N -0.46 1.09 -0.66 6.23 0.00 -0.20 -1.32 119.26 123.93 3ic2 h ALA 10 Ca -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ic2 h ALA 10 Cb 0.63 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3ic2 h ALA 10 CO 0.14 0.66 0.39 0.28 0.00 0.00 0.00 179.25 180.71 3ic2 h VAL 11 N 1.15 1.02 -0.06 0.00 2.07 -0.92 -1.21 116.25 118.29 3ic2 h VAL 11 Ca 0.27 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3ic2 h VAL 11 Cb 0.19 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3ic2 h VAL 11 CO -0.02 0.13 -0.01 0.74 0.02 0.00 0.00 177.57 178.43 3ic2 h THR 12 N 0.74 1.27 -0.68 2.57 2.02 -1.05 -2.03 112.91 115.74 3ic2 h THR 12 Ca 0.28 -0.85 0.13 0.00 0.77 0.00 0.00 66.41 66.74 3ic2 h THR 12 Cb 0.11 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 3ic2 h THR 12 CO -0.15 0.23 0.19 0.00 0.37 0.00 0.00 175.52 176.17 3ic2 h ALA 13 N 0.69 0.87 -0.14 6.16 0.00 -0.83 -2.27 119.26 123.73 3ic2 h ALA 13 Ca 0.02 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3ic2 h ALA 13 Cb 0.37 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ic2 h ALA 13 CO 0.00 -0.28 -0.50 1.25 0.00 0.00 0.00 179.25 179.72 3ic2 h LEU 14 N 0.32 0.69 -2.60 0.00 5.85 -1.18 -3.12 115.31 115.26 3ic2 h LEU 14 Ca 0.37 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ic2 h LEU 14 Cb 0.57 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3ic2 h LEU 14 CO -0.43 1.18 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.59 3ic2 h TRP 15 N 0.24 0.00 0.00 1.25 2.91 -1.05 0.36 115.95 119.65 3ic2 h TRP 15 Ca -0.02 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 3ic2 h TRP 15 Cb 1.13 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.77 3ic2 h TRP 15 CO 0.10 0.01 -0.22 0.78 -1.03 0.00 0.00 178.44 178.09 3ic2 h GLY 16 N 0.23 0.00 -0.94 2.65 0.00 -1.35 -2.20 103.07 101.47 3ic2 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ic2 h GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3ic2 n LYS 17 N -4.05 1.87 -2.68 4.80 5.02 0.11 -4.92 118.16 118.31 3ic2 n LYS 17 Ca -0.02 -1.27 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 3ic2 n LYS 17 Cb 0.29 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3ic2 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ic2 s VAL 18 N -1.95 4.37 -0.43 -0.18 1.01 -0.83 -4.99 120.40 117.40 3ic2 s VAL 18 Ca 0.35 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 64.01 3ic2 s VAL 18 Cb 0.20 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3ic2 s VAL 18 CO 0.32 0.30 1.25 0.21 0.00 0.00 0.00 175.10 177.17 3ic2 s ASN 19 N 0.03 6.55 0.55 3.32 3.84 -1.26 -4.90 114.94 123.07 3ic2 s ASN 19 Ca 0.48 0.69 0.31 0.00 0.21 0.00 0.00 52.86 54.55 3ic2 s ASN 19 Cb -0.25 -2.55 1.58 0.00 -0.55 0.00 0.00 41.25 39.49 3ic2 s ASN 19 CO 0.31 -1.28 2.10 0.58 -2.79 0.00 0.00 177.10 176.02 3ic2 h VAL 20 N 6.26 0.39 0.00 -5.21 2.07 -1.95 -2.45 116.25 115.35 3ic2 h VAL 20 Ca -0.25 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3ic2 h VAL 20 Cb 1.08 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3ic2 h VAL 20 CO 1.10 0.08 -0.63 0.47 0.02 0.00 0.00 177.57 178.61 3ic2 n ASP 21 N -3.46 0.60 0.00 0.57 8.00 -1.26 -4.71 116.55 116.29 3ic2 n ASP 21 Ca -0.02 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3ic2 n ASP 21 Cb 0.23 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3ic2 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ic2 n GLU 22 N -1.59 0.30 -0.07 -1.24 1.02 -1.10 -4.76 120.64 113.20 3ic2 n GLU 22 Ca 0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 3ic2 n GLU 22 Cb 0.35 -0.81 -0.01 0.00 -0.02 0.00 0.00 31.44 30.95 3ic2 n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ic2 h VAL 23 N 0.00 0.70 -0.42 2.62 2.07 -1.73 -0.96 116.25 118.53 3ic2 h VAL 23 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3ic2 h VAL 23 Cb 0.62 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3ic2 h VAL 23 CO 0.00 0.00 -0.24 1.23 0.02 0.00 0.00 177.57 178.58 3ic2 h GLY 24 N -0.01 0.02 0.71 2.17 0.00 -1.79 0.12 103.07 104.28 3ic2 h GLY 24 Ca 0.14 0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.85 3ic2 h GLY 24 CO -0.29 -0.21 0.60 -1.33 0.00 0.00 0.00 176.54 175.31 3ic2 h GLY 25 N -0.16 1.39 1.14 4.60 0.00 -1.43 -1.07 103.07 107.54 3ic2 h GLY 25 Ca 0.20 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 3ic2 h GLY 25 CO -0.52 0.24 -0.17 0.83 0.00 0.00 0.00 176.54 176.92 3ic2 h GLU 26 N 0.98 0.99 0.41 4.80 5.08 0.25 -0.48 114.58 126.61 3ic2 h GLU 26 Ca 0.43 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3ic2 h GLU 26 Cb 0.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ic2 h GLU 26 CO -0.18 1.08 -0.20 0.00 -1.00 0.00 0.00 179.01 178.71 3ic2 h ALA 27 N 0.92 -0.55 -0.83 3.43 0.00 -0.45 -0.66 119.26 121.12 3ic2 h ALA 27 Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ic2 h ALA 27 Cb 0.74 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3ic2 h ALA 27 CO 0.06 -0.67 0.51 1.25 0.00 0.00 0.00 179.25 180.40 3ic2 h LEU 28 N -0.83 0.79 -0.66 0.00 5.85 -1.24 -0.30 115.31 118.91 3ic2 h LEU 28 Ca -0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3ic2 h LEU 28 Cb 0.54 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3ic2 h LEU 28 CO 0.09 0.50 0.25 1.23 -0.34 0.00 0.00 178.44 180.18 3ic2 h GLY 29 N 0.92 1.08 2.00 3.75 0.00 -1.04 -1.88 103.07 107.90 3ic2 h GLY 29 Ca 0.36 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3ic2 h GLY 29 CO -0.18 0.56 -0.54 3.21 0.00 0.00 0.00 176.54 179.60 3ic2 h ARG 30 N 0.95 0.00 -0.07 4.80 3.08 -0.56 -2.03 114.38 120.54 3ic2 h ARG 30 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3ic2 h ARG 30 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ic2 h ARG 30 CO -0.02 0.54 0.04 1.25 -1.07 0.00 0.00 179.97 180.72 3ic2 h LEU 31 N 0.00 0.09 -1.59 3.04 5.85 -0.62 0.30 115.31 122.38 3ic2 h LEU 31 Ca -0.01 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3ic2 h LEU 31 Cb 0.98 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3ic2 h LEU 31 CO 0.07 0.14 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.03 3ic2 h LEU 32 N 0.04 0.00 0.18 2.25 3.38 -1.12 -0.28 115.31 119.76 3ic2 h LEU 32 Ca 0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 3ic2 h LEU 32 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ic2 h LEU 32 CO -0.00 0.21 -1.74 0.58 0.09 0.00 0.00 178.44 177.58 3ic2 h VAL 33 N 0.00 0.95 0.07 1.22 2.07 -1.04 -3.26 116.25 116.26 3ic2 h VAL 33 Ca -0.00 -2.54 -0.26 0.00 0.82 0.00 0.00 66.70 64.72 3ic2 h VAL 33 Cb 0.37 2.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3ic2 h VAL 33 CO 0.03 0.85 -1.11 0.58 0.02 0.00 0.00 177.57 177.94 3ic2 h VAL 34 N 0.10 1.42 -2.75 2.57 2.07 -0.34 -3.37 116.25 115.95 3ic2 h VAL 34 Ca -0.34 -2.69 -0.61 0.00 0.82 0.00 0.00 66.70 63.89 3ic2 h VAL 34 Cb 2.09 2.67 -0.41 0.00 -1.52 0.00 0.00 31.29 34.12 3ic2 h VAL 34 CO 0.18 0.80 -0.64 -1.22 0.02 0.00 0.00 177.57 176.71 3ic2 n TYR 35 N -3.67 2.81 -0.37 1.57 4.01 -0.12 -4.99 117.16 116.39 3ic2 n TYR 35 Ca -0.09 -4.15 0.28 0.00 -0.16 0.00 0.00 57.90 53.79 3ic2 n TYR 35 Cb 0.93 -0.51 0.56 0.00 -0.31 0.00 0.00 39.34 40.01 3ic2 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ic2 h PRO 36 N 5.05 0.26 -0.06 -0.72 0.13 -1.74 -2.13 132.00 132.80 3ic2 h PRO 36 Ca 0.17 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3ic2 h PRO 36 Cb 0.75 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ic2 h PRO 36 CO 0.70 0.17 0.07 0.11 -0.23 0.00 0.00 178.00 178.83 3ic2 h TRP 37 N 0.27 0.00 0.00 1.56 0.09 -1.93 -0.34 115.95 115.60 3ic2 h TRP 37 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.67 3ic2 h TRP 37 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.15 3ic2 h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 3ic2 n THR 38 N -3.74 1.02 0.29 0.12 -2.24 -0.80 -1.95 114.28 106.98 3ic2 n THR 38 Ca -0.02 0.28 0.18 0.00 -2.27 0.00 0.00 64.05 62.23 3ic2 n THR 38 Cb 0.17 -1.12 0.83 0.00 -2.10 0.00 0.00 70.33 68.10 3ic2 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3ic2 h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.26 -2.95 115.11 114.33 3ic2 h GLN 39 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ic2 h GLN 39 Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ic2 h GLN 39 CO 0.00 0.03 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.09 3ic2 h ARG 40 N 0.00 0.00 -0.28 1.46 2.43 -1.59 -1.01 114.38 115.39 3ic2 h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ic2 h ARG 40 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3ic2 h ARG 40 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.66 3ic2 n PHE 41 N -3.45 0.37 -2.44 2.20 3.01 -1.11 -4.32 117.46 111.72 3ic2 n PHE 41 Ca -0.03 -0.18 -0.06 0.00 1.01 0.00 0.00 57.45 58.19 3ic2 n PHE 41 Cb 0.09 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 3ic2 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3ic2 n PHE 42 N 0.68 1.41 0.24 1.38 3.72 -0.38 -4.85 117.46 119.66 3ic2 n PHE 42 Ca 0.16 -1.88 0.07 0.00 -0.05 0.00 0.00 57.45 55.76 3ic2 n PHE 42 Cb 0.39 -0.25 0.59 0.00 -0.94 0.00 0.00 39.48 39.27 3ic2 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3ic2 h GLU 43 N 2.12 0.00 0.00 -1.08 4.81 -1.75 -1.40 114.58 117.28 3ic2 h GLU 43 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ic2 h GLU 43 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 3ic2 h GLU 43 CO 0.32 0.13 0.00 -1.13 -0.73 0.00 0.00 179.01 177.60 3ic2 n SER 44 N -4.23 0.00 0.06 1.04 3.41 -1.26 -3.60 113.62 109.04 3ic2 n SER 44 Ca -0.03 -1.14 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 3ic2 n SER 44 Cb 0.20 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.25 3ic2 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ic2 n PHE 45 N -0.86 0.59 0.00 7.33 3.01 -0.53 -5.08 117.46 121.93 3ic2 n PHE 45 Ca 0.15 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.79 3ic2 n PHE 45 Cb 0.07 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 3ic2 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ic2 n GLY 46 N 1.31 -0.37 3.68 1.37 0.00 -1.24 -4.66 105.19 105.28 3ic2 n GLY 46 Ca 0.02 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3ic2 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ic2 s ASP 47 N -4.00 6.56 -0.01 1.61 2.15 -1.26 -4.84 116.67 116.88 3ic2 s ASP 47 Ca 0.00 2.52 0.11 0.00 0.43 0.00 0.00 52.55 55.61 3ic2 s ASP 47 Cb 0.00 -2.55 0.19 0.00 -0.30 0.00 0.00 42.92 40.26 3ic2 s ASP 47 CO 0.00 -0.94 1.08 0.18 -0.17 0.00 0.00 175.17 175.32 3ic2 n LEU 48 N 6.18 0.52 0.17 -1.34 4.77 -1.26 -4.31 117.00 121.73 3ic2 n LEU 48 Ca 0.17 -1.51 0.02 0.00 -0.03 0.00 0.00 56.01 54.65 3ic2 n LEU 48 Cb 0.41 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.81 3ic2 n LEU 48 CO 0.64 0.39 0.70 0.77 -1.33 0.00 0.00 177.39 178.56 3ic2 h SER 49 N 0.42 0.03 -3.55 -1.43 4.64 -1.93 -3.43 113.55 108.29 3ic2 h SER 49 Ca -0.09 -0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.81 3ic2 h SER 49 Cb 1.58 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.52 3ic2 h SER 49 CO 0.04 0.41 -0.68 0.42 -0.87 0.00 0.00 176.83 176.16 3ic2 s THR 50 N -4.16 1.29 0.41 2.95 -4.23 -1.26 -5.02 115.64 105.62 3ic2 s THR 50 Ca -0.03 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3ic2 s THR 50 Cb 0.14 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.96 3ic2 s THR 50 CO 0.73 -0.41 2.04 -0.65 -0.54 0.00 0.00 174.62 175.79 3ic2 h PRO 51 N 2.47 0.49 -0.32 3.99 0.11 -1.99 -0.85 132.00 135.91 3ic2 h PRO 51 Ca -0.38 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3ic2 h PRO 51 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ic2 h PRO 51 CO 0.65 0.36 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.09 3ic2 h ASP 52 N 0.50 0.66 -0.31 -2.05 3.32 -1.97 -1.16 116.42 115.41 3ic2 h ASP 52 Ca 0.13 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3ic2 h ASP 52 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3ic2 h ASP 52 CO -0.02 0.90 -0.07 0.00 -1.72 0.00 0.00 179.24 178.32 3ic2 h ALA 53 N 1.15 0.43 0.98 3.45 0.00 -1.65 -1.70 119.26 121.91 3ic2 h ALA 53 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3ic2 h ALA 53 Cb 0.75 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ic2 h ALA 53 CO 0.06 0.25 -0.49 0.28 0.00 0.00 0.00 179.25 179.36 3ic2 h VAL 54 N 0.37 0.00 0.00 0.00 2.07 -0.97 -0.01 116.25 117.71 3ic2 h VAL 54 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3ic2 h VAL 54 Cb 0.56 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3ic2 h VAL 54 CO 0.03 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.84 3ic2 h MET 55 N -1.34 0.00 -0.02 1.57 2.07 -1.28 -2.02 114.93 113.91 3ic2 h MET 55 Ca -0.13 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 3ic2 h MET 55 Cb 1.03 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.76 3ic2 h MET 55 CO 0.21 0.02 -0.09 0.41 1.07 0.00 0.00 176.91 178.54 3ic2 n GLY 56 N -1.38 0.41 3.65 8.32 0.00 -0.64 -4.87 105.19 110.68 3ic2 n GLY 56 Ca -0.03 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 3ic2 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ic2 s ASN 57 N -2.11 6.51 0.28 1.61 3.84 -0.03 -4.91 114.94 120.12 3ic2 s ASN 57 Ca 0.30 1.99 0.00 0.00 0.21 0.00 0.00 52.86 55.36 3ic2 s ASN 57 Cb 0.20 -2.53 0.53 0.00 -0.55 0.00 0.00 41.25 38.90 3ic2 s ASN 57 CO 0.37 -1.09 1.83 -0.65 -2.79 0.00 0.00 177.10 174.76 3ic2 h PRO 58 N 10.22 0.92 -0.48 0.43 0.11 -1.89 -0.63 132.00 140.68 3ic2 h PRO 58 Ca -0.37 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 3ic2 h PRO 58 Cb 1.17 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3ic2 h PRO 58 CO 0.97 0.61 -0.08 0.87 -0.21 0.00 0.00 178.00 180.16 3ic2 h LYS 59 N 0.94 0.84 -0.35 1.05 1.79 -1.91 0.39 116.57 119.32 3ic2 h LYS 59 Ca 0.48 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.61 3ic2 h LYS 59 Cb 0.49 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3ic2 h LYS 59 CO -0.27 0.89 -0.05 0.28 -1.08 0.00 0.00 179.45 179.22 3ic2 h VAL 60 N 0.77 1.27 -0.00 0.50 2.07 -1.61 0.30 116.25 119.55 3ic2 h VAL 60 Ca 0.13 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3ic2 h VAL 60 Cb 0.57 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ic2 h VAL 60 CO 0.03 0.36 0.00 0.11 0.02 0.00 0.00 177.57 178.09 3ic2 h LYS 61 N 0.45 0.00 -0.56 1.57 1.57 -0.94 0.11 116.57 118.77 3ic2 h LYS 61 Ca 0.09 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3ic2 h LYS 61 Cb 0.54 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3ic2 h LYS 61 CO 0.03 0.29 0.32 0.00 -0.57 0.00 0.00 179.45 179.52 3ic2 h ALA 62 N 0.71 0.72 -0.16 3.86 0.00 -0.14 -2.49 119.26 121.76 3ic2 h ALA 62 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3ic2 h ALA 62 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ic2 h ALA 62 CO 0.00 0.02 -0.56 1.25 0.00 0.00 0.00 179.25 179.96 3ic2 h HIS 63 N 0.63 0.62 0.00 0.00 -0.00 -0.38 -3.01 115.15 113.00 3ic2 h HIS 63 Ca 0.23 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3ic2 h HIS 63 Cb 0.07 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3ic2 h HIS 63 CO -0.07 0.94 -0.06 0.78 -0.00 0.00 0.00 177.93 179.51 3ic2 h GLY 64 N 1.13 0.00 1.01 5.26 0.00 -0.54 -1.05 103.07 108.89 3ic2 h GLY 64 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3ic2 h GLY 64 CO 0.10 0.00 -0.13 1.70 0.00 0.00 0.00 176.54 178.21 3ic2 h LYS 65 N 0.00 0.83 -0.42 4.80 3.64 -1.33 0.63 116.57 124.72 3ic2 h LYS 65 Ca -0.00 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 3ic2 h LYS 65 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3ic2 h LYS 65 CO 0.01 0.96 0.24 0.87 -2.27 0.00 0.00 179.45 179.26 3ic2 h LYS 66 N 0.65 0.58 -0.18 1.90 1.57 -1.27 -0.79 116.57 119.03 3ic2 h LYS 66 Ca 0.10 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3ic2 h LYS 66 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3ic2 h LYS 66 CO 0.05 0.46 0.08 0.28 -0.57 0.00 0.00 179.45 179.74 3ic2 h VAL 67 N 0.55 0.98 -0.24 0.50 2.07 -1.11 -0.77 116.25 118.22 3ic2 h VAL 67 Ca 0.15 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3ic2 h VAL 67 Cb 0.04 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ic2 h VAL 67 CO -0.03 0.03 0.17 0.25 0.02 0.00 0.00 177.57 178.01 3ic2 h LEU 68 N 0.18 0.15 -0.45 2.57 7.12 -0.64 -1.40 115.31 122.84 3ic2 h LEU 68 Ca 0.08 -0.00 -0.14 0.00 0.13 0.00 0.00 57.88 57.94 3ic2 h LEU 68 Cb 0.03 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 3ic2 h LEU 68 CO -0.06 0.11 -0.28 1.23 -0.13 0.00 0.00 178.44 179.30 3ic2 h GLY 69 N 0.18 1.07 1.53 3.75 0.00 0.25 -1.61 103.07 108.23 3ic2 h GLY 69 Ca 0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 3ic2 h GLY 69 CO -0.02 0.91 0.09 0.00 0.00 0.00 0.00 176.54 177.52 3ic2 h ALA 70 N 0.83 1.40 -0.40 3.60 0.00 -0.24 -1.13 119.26 123.33 3ic2 h ALA 70 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3ic2 h ALA 70 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ic2 h ALA 70 CO 0.08 0.43 -0.28 0.74 0.00 0.00 0.00 179.25 180.22 3ic2 h PHE 71 N 0.59 1.04 -0.35 0.00 0.04 -1.20 -1.57 116.94 115.49 3ic2 h PHE 71 Ca 0.13 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 3ic2 h PHE 71 Cb 0.24 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3ic2 h PHE 71 CO 0.01 1.08 0.16 0.77 -0.60 0.00 0.00 178.31 179.73 3ic2 h SER 72 N 0.70 0.43 0.11 2.17 0.02 -0.74 -0.71 113.55 115.53 3ic2 h SER 72 Ca 0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3ic2 h SER 72 Cb 0.85 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3ic2 h SER 72 CO 0.07 0.38 -0.05 0.44 -1.14 0.00 0.00 176.83 176.53 3ic2 h ASP 73 N 0.49 -0.12 -0.96 3.07 5.19 -0.85 -2.85 116.42 120.38 3ic2 h ASP 73 Ca 0.12 -0.16 0.14 0.00 -0.62 0.00 0.00 57.03 56.52 3ic2 h ASP 73 Cb 0.07 0.03 -0.09 0.00 0.18 0.00 0.00 39.33 39.52 3ic2 h ASP 73 CO -0.02 0.09 0.58 1.23 -3.12 0.00 0.00 179.24 178.00 3ic2 h GLY 74 N -0.33 1.61 1.53 2.75 0.00 -0.26 -1.64 103.07 106.72 3ic2 h GLY 74 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3ic2 h GLY 74 CO 0.02 0.06 0.13 1.41 0.00 0.00 0.00 176.54 178.16 3ic2 h LEU 75 N 0.84 0.55 -0.32 3.11 3.38 -0.96 -1.65 115.31 120.27 3ic2 h LEU 75 Ca 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3ic2 h LEU 75 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ic2 h LEU 75 CO -0.32 0.53 -0.02 0.00 0.09 0.00 0.00 178.44 178.73 3ic2 n ALA 76 N -2.47 2.66 -2.73 1.53 0.00 -0.64 -3.89 120.51 114.97 3ic2 n ALA 76 Ca 0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3ic2 n ALA 76 Cb 0.17 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.29 3ic2 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic2 n HIS 77 N -0.67 0.69 0.24 0.00 8.25 -0.69 -4.93 115.22 118.11 3ic2 n HIS 77 Ca 0.20 -2.43 0.14 0.00 -0.26 0.00 0.00 57.72 55.38 3ic2 n HIS 77 Cb 0.22 -0.04 0.76 0.00 1.12 0.00 0.00 29.99 32.04 3ic2 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ic2 h LEU 78 N 2.66 0.00 -1.10 2.41 3.38 -1.47 -0.53 115.31 120.66 3ic2 h LEU 78 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ic2 h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3ic2 h LEU 78 CO 0.30 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 179.23 3ic2 n ASP 79 N -2.55 1.79 -2.71 -0.43 9.92 -1.26 -4.31 116.55 116.99 3ic2 n ASP 79 Ca -0.02 -1.52 -0.05 0.00 -0.53 0.00 0.00 54.79 52.68 3ic2 n ASP 79 Cb 0.16 0.05 0.08 0.00 -0.64 0.00 0.00 41.12 40.77 3ic2 n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3ic2 n ASN 80 N 0.29 -0.14 0.02 -2.24 5.15 -0.22 -4.95 115.26 113.17 3ic2 n ASN 80 Ca 0.16 -2.38 0.11 0.00 -0.60 0.00 0.00 54.58 51.87 3ic2 n ASN 80 Cb 0.41 0.20 0.55 0.00 -0.53 0.00 0.00 39.78 40.41 3ic2 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3ic2 h LEU 81 N 2.18 0.24 -0.03 1.20 3.38 -1.70 -0.62 115.31 119.96 3ic2 h LEU 81 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ic2 h LEU 81 Cb 1.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ic2 h LEU 81 CO 0.11 0.16 0.02 0.11 0.09 0.00 0.00 178.44 178.93 3ic2 h LYS 82 N 0.28 0.04 0.04 1.13 1.57 -1.90 -2.04 116.57 115.68 3ic2 h LYS 82 Ca 0.19 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ic2 h LYS 82 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3ic2 h LYS 82 CO -0.04 0.11 -0.02 0.78 -0.57 0.00 0.00 179.45 179.71 3ic2 h GLY 83 N -0.03 -0.05 -0.31 3.86 0.00 -1.76 -2.18 103.07 102.60 3ic2 h GLY 83 Ca 0.01 0.02 0.21 0.00 0.00 0.00 0.00 47.33 47.57 3ic2 h GLY 83 CO -0.00 -0.02 0.23 -0.84 0.00 0.00 0.00 176.54 175.91 3ic2 h THR 84 N -0.25 0.39 -0.11 4.70 2.02 -1.02 -1.78 112.91 116.85 3ic2 h THR 84 Ca -0.01 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ic2 h THR 84 Cb 0.23 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3ic2 h THR 84 CO 0.01 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.43 3ic2 n PHE 85 N -5.19 0.12 -0.29 3.16 3.72 -0.78 -4.56 117.46 113.65 3ic2 n PHE 85 Ca 0.19 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.61 3ic2 n PHE 85 Cb 0.61 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.34 3ic2 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ic2 h ALA 86 N 4.45 0.88 0.14 4.37 0.00 -0.65 0.48 119.26 128.93 3ic2 h ALA 86 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3ic2 h ALA 86 Cb 0.75 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ic2 h ALA 86 CO 0.00 -0.46 -0.07 1.15 0.00 0.00 0.00 179.25 179.88 3ic2 h THR 87 N 0.07 0.99 -0.14 0.00 2.02 -1.80 -2.17 112.91 111.89 3ic2 h THR 87 Ca 0.47 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ic2 h THR 87 Cb 0.86 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3ic2 h THR 87 CO -0.76 0.13 0.02 -0.07 0.37 0.00 0.00 175.52 175.21 3ic2 h LEU 88 N -0.45 0.17 -0.54 2.58 3.38 -1.54 -1.27 115.31 117.64 3ic2 h LEU 88 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ic2 h LEU 88 Cb 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3ic2 h LEU 88 CO 0.03 0.20 0.23 -1.28 0.09 0.00 0.00 178.44 177.70 3ic2 h SER 89 N 0.19 0.73 -0.62 -0.43 0.87 0.04 0.30 113.55 114.63 3ic2 h SER 89 Ca 0.05 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 3ic2 h SER 89 Cb 0.11 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3ic2 h SER 89 CO -0.00 0.68 0.19 -0.08 -0.53 0.00 0.00 176.83 177.10 3ic2 h GLU 90 N 0.72 0.97 -0.21 2.24 4.22 -0.60 0.40 114.58 122.32 3ic2 h GLU 90 Ca 0.18 -0.21 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 3ic2 h GLU 90 Cb 0.17 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ic2 h GLU 90 CO -0.02 0.86 0.06 1.25 -2.18 0.00 0.00 179.01 178.98 3ic2 h LEU 91 N 0.89 0.32 -0.12 1.64 5.85 -0.97 -1.42 115.31 121.50 3ic2 h LEU 91 Ca 0.20 -0.22 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 3ic2 h LEU 91 Cb 0.29 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ic2 h LEU 91 CO -0.01 0.45 -0.72 0.45 -0.34 0.00 0.00 178.44 178.28 3ic2 h HIS 92 N 0.17 0.95 0.00 1.25 3.86 -0.84 -0.21 115.15 120.32 3ic2 h HIS 92 Ca 0.07 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 3ic2 h HIS 92 Cb 0.25 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3ic2 h HIS 92 CO 0.01 1.25 -0.26 0.00 0.86 0.00 0.00 177.93 179.78 3ic2 h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -1.42 -2.96 116.42 114.36 3ic2 h ASP 94 Ca -0.03 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.57 3ic2 h ASP 94 Cb 0.40 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 3ic2 h ASP 94 CO -0.02 0.66 -2.46 1.17 -1.72 0.00 0.00 179.24 176.88 3ic2 n LYS 95 N -3.35 0.59 0.05 3.56 4.81 -0.96 -4.68 118.16 118.19 3ic2 n LYS 95 Ca 0.01 0.28 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 3ic2 n LYS 95 Cb 0.76 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 34.28 3ic2 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ic2 n LEU 96 N -4.26 0.59 -3.58 3.14 4.77 -0.10 -4.98 117.00 112.58 3ic2 n LEU 96 Ca -0.53 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 3ic2 n LEU 96 Cb 0.87 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.97 3ic2 n LEU 96 CO 0.04 -0.07 0.20 1.41 -1.33 0.00 0.00 177.39 177.64 3ic2 n HIS 97 N -2.34 -2.69 -2.50 -1.77 8.25 -0.08 -4.92 115.22 109.16 3ic2 n HIS 97 Ca -0.00 0.94 -0.43 0.00 -0.26 0.00 0.00 57.72 57.97 3ic2 n HIS 97 Cb 0.51 -4.80 -0.02 0.00 1.12 0.00 0.00 29.99 26.80 3ic2 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ic2 s VAL 98 N -3.30 4.23 0.14 1.59 1.01 -0.10 -4.97 120.40 119.00 3ic2 s VAL 98 Ca 0.57 1.36 -0.35 0.00 0.00 0.00 0.00 61.98 63.56 3ic2 s VAL 98 Cb -0.26 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.66 3ic2 s VAL 98 CO 0.70 -0.60 1.39 -0.67 0.00 0.00 0.00 175.10 175.93 3ic2 n ASP 99 N 7.57 2.17 -0.35 3.32 2.03 -1.26 -4.71 116.55 125.33 3ic2 n ASP 99 Ca 0.14 1.11 0.27 0.00 0.52 0.00 0.00 54.79 56.83 3ic2 n ASP 99 Cb 0.47 -1.29 0.52 0.00 -0.72 0.00 0.00 41.12 40.10 3ic2 n ASP 99 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ic2 h PRO 100 N 4.76 0.24 -0.88 -0.67 0.11 -1.97 -1.38 132.00 132.21 3ic2 h PRO 100 Ca -0.46 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.86 3ic2 h PRO 100 Cb 1.30 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3ic2 h PRO 100 CO 0.80 0.16 0.60 1.49 -0.21 0.00 0.00 178.00 180.84 3ic2 h GLU 101 N 0.25 0.22 0.00 1.05 4.57 -1.99 -1.07 114.58 117.61 3ic2 h GLU 101 Ca 0.76 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.85 3ic2 h GLU 101 Cb 1.88 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.41 3ic2 h GLU 101 CO -0.59 0.14 -0.36 -0.91 -1.18 0.00 0.00 179.01 176.12 3ic2 h ASN 102 N 0.22 0.00 -0.55 1.04 2.35 -1.60 -2.23 115.58 114.82 3ic2 h ASN 102 Ca 0.44 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.12 3ic2 h ASN 102 Cb 1.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 3ic2 h ASN 102 CO -0.11 0.36 0.08 -0.26 -1.65 0.00 0.00 177.43 175.85 3ic2 h PHE 103 N 0.00 1.01 -0.57 1.19 0.04 -1.35 0.67 116.94 117.93 3ic2 h PHE 103 Ca -0.00 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.53 3ic2 h PHE 103 Cb 0.88 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 3ic2 h PHE 103 CO 0.00 0.86 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.42 3ic2 h ARG 104 N 0.90 1.04 -0.29 1.51 2.43 -1.47 -1.38 114.38 117.11 3ic2 h ARG 104 Ca 0.18 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3ic2 h ARG 104 Cb 0.41 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3ic2 h ARG 104 CO 0.01 1.06 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.40 3ic2 h LEU 105 N 0.93 0.55 -1.35 3.80 3.38 -0.83 -1.86 115.31 119.92 3ic2 h LEU 105 Ca 0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ic2 h LEU 105 Cb 0.62 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3ic2 h LEU 105 CO 0.04 0.78 0.19 0.25 0.09 0.00 0.00 178.44 179.78 3ic2 h LEU 106 N 0.32 0.56 -0.65 1.67 5.85 -0.79 -0.30 115.31 121.97 3ic2 h LEU 106 Ca 0.08 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3ic2 h LEU 106 Cb 0.52 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3ic2 h LEU 106 CO 0.03 0.51 0.12 1.23 -0.34 0.00 0.00 178.44 179.98 3ic2 h GLY 107 N 0.77 1.15 1.68 3.75 0.00 -0.94 0.20 103.07 109.68 3ic2 h GLY 107 Ca 0.15 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 46.55 3ic2 h GLY 107 CO -0.02 0.70 -0.77 3.43 0.00 0.00 0.00 176.54 179.88 3ic2 h ASN 108 N 0.98 0.37 -0.73 0.19 2.35 -0.81 -2.34 115.58 115.59 3ic2 h ASN 108 Ca 0.20 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3ic2 h ASN 108 Cb 0.42 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3ic2 h ASN 108 CO 0.01 1.01 0.31 0.58 -1.65 0.00 0.00 177.43 177.69 3ic2 h VAL 109 N 0.19 1.25 -0.26 2.81 2.07 -0.80 -0.03 116.25 121.48 3ic2 h VAL 109 Ca -0.04 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ic2 h VAL 109 Cb 1.36 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3ic2 h VAL 109 CO 0.13 0.30 0.07 0.25 0.02 0.00 0.00 177.57 178.34 3ic2 h LEU 110 N 1.04 0.05 -0.92 2.57 5.85 -0.77 0.13 115.31 123.26 3ic2 h LEU 110 Ca 0.25 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.11 3ic2 h LEU 110 Cb 0.18 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3ic2 h LEU 110 CO -0.02 0.06 0.56 0.58 -0.34 0.00 0.00 178.44 179.27 3ic2 h VAL 111 N 0.18 0.92 -0.40 1.05 2.07 -0.81 0.16 116.25 119.40 3ic2 h VAL 111 Ca 0.12 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ic2 h VAL 111 Cb 0.11 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 3ic2 h VAL 111 CO -0.14 0.17 0.16 0.00 0.02 0.00 0.00 177.57 177.77 3ic2 h VAL 113 N 0.51 1.04 -0.73 0.00 2.07 0.12 -0.03 116.25 119.22 3ic2 h VAL 113 Ca 0.13 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3ic2 h VAL 113 Cb 0.18 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3ic2 h VAL 113 CO -0.01 0.11 0.44 -0.07 0.02 0.00 0.00 177.57 178.06 3ic2 h LEU 114 N 0.60 0.70 -1.25 2.57 3.38 -0.46 -0.80 115.31 120.06 3ic2 h LEU 114 Ca 0.22 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3ic2 h LEU 114 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ic2 h LEU 114 CO -0.11 0.47 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 3ic2 h ALA 115 N 1.34 1.38 -0.43 1.53 0.00 -0.39 -1.69 119.26 120.99 3ic2 h ALA 115 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3ic2 h ALA 115 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ic2 h ALA 115 CO -0.14 0.43 -0.09 1.25 0.00 0.00 0.00 179.25 180.69 3ic2 h HIS 116 N 0.35 0.83 0.22 0.00 6.17 0.38 -0.83 115.15 122.27 3ic2 h HIS 116 Ca 0.07 -0.14 -0.31 0.00 0.71 0.00 0.00 60.37 60.70 3ic2 h HIS 116 Cb 0.43 -0.22 0.03 0.00 2.52 0.00 0.00 27.41 30.17 3ic2 h HIS 116 CO 0.01 0.82 -1.39 0.45 0.71 0.00 0.00 177.93 178.53 3ic2 h HIS 117 N 0.70 0.86 0.00 5.26 -0.00 -0.98 -3.37 115.15 117.61 3ic2 h HIS 117 Ca 0.12 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 3ic2 h HIS 117 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3ic2 h HIS 117 CO 0.03 1.53 -0.84 1.19 -0.00 0.00 0.00 177.93 179.84 3ic2 n PHE 118 N -3.79 0.10 0.00 2.45 3.72 -0.67 -5.03 117.46 114.25 3ic2 n PHE 118 Ca -0.18 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3ic2 n PHE 118 Cb 1.04 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 3ic2 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ic2 n GLY 119 N 1.45 3.27 0.33 1.37 0.00 -0.32 -0.92 105.19 110.36 3ic2 n GLY 119 Ca 0.04 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.28 3ic2 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic2 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.08 116.57 119.94 3ic2 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3ic2 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ic2 h LYS 120 CO 0.00 0.00 -0.16 1.49 -2.27 0.00 0.00 179.45 178.51 3ic2 h GLU 121 N 0.00 0.00 -3.69 1.90 4.81 -1.42 -3.27 114.58 112.91 3ic2 h GLU 121 Ca 0.03 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.54 3ic2 h GLU 121 Cb 0.23 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 3ic2 h GLU 121 CO -0.00 0.16 3.07 0.34 -0.73 0.00 0.00 179.01 181.84 3ic2 n PHE 122 N -4.16 3.21 -1.06 0.92 7.35 0.01 -4.93 117.46 118.80 3ic2 n PHE 122 Ca -0.02 -2.96 -0.33 0.00 -0.76 0.00 0.00 57.45 53.37 3ic2 n PHE 122 Cb 0.23 -2.42 0.13 0.00 0.35 0.00 0.00 39.48 37.77 3ic2 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ic2 s THR 123 N 2.40 2.16 0.24 -2.13 -4.23 -1.23 -4.65 115.64 108.20 3ic2 s THR 123 Ca 0.50 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 3ic2 s THR 123 Cb 0.14 -2.39 0.21 0.00 1.34 0.00 0.00 72.50 71.80 3ic2 s THR 123 CO -0.07 -0.06 1.75 -0.65 -0.54 0.00 0.00 174.62 175.06 3ic2 h PRO 124 N -1.08 0.52 -0.89 3.99 0.11 -1.92 0.12 132.00 132.85 3ic2 h PRO 124 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ic2 h PRO 124 Cb 1.28 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3ic2 h PRO 124 CO 0.46 0.35 0.53 -1.35 -0.21 0.00 0.00 178.00 177.77 3ic2 h PRO 125 N 0.54 1.21 -0.68 1.05 0.11 -1.99 0.11 132.00 132.36 3ic2 h PRO 125 Ca 0.41 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 3ic2 h PRO 125 Cb 0.55 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 3ic2 h PRO 125 CO -0.35 0.85 0.30 0.28 -0.21 0.00 0.00 178.00 178.87 3ic2 h VAL 126 N 1.22 1.23 -0.16 3.15 2.07 -1.33 -2.16 116.25 120.28 3ic2 h VAL 126 Ca 0.32 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ic2 h VAL 126 Cb -0.04 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3ic2 h VAL 126 CO -0.06 0.28 0.03 -0.61 0.02 0.00 0.00 177.57 177.23 3ic2 h GLN 127 N 0.95 0.27 -1.00 1.57 4.15 -0.32 -2.25 115.11 118.47 3ic2 h GLN 127 Ca 0.23 -0.07 0.21 0.00 0.77 0.00 0.00 58.65 59.79 3ic2 h GLN 127 Cb 0.16 -0.03 -0.11 0.00 0.21 0.00 0.00 27.48 27.71 3ic2 h GLN 127 CO -0.02 0.44 0.61 0.00 -1.93 0.00 0.00 178.83 177.92 3ic2 h ALA 128 N 0.82 1.77 -0.39 3.38 0.00 -0.53 0.35 119.26 124.65 3ic2 h ALA 128 Ca 0.05 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3ic2 h ALA 128 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ic2 h ALA 128 CO 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 179.25 178.70 3ic2 h ALA 129 N 1.67 0.58 0.00 0.00 0.00 -1.17 -3.04 119.26 117.30 3ic2 h ALA 129 Ca 0.60 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ic2 h ALA 129 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3ic2 h ALA 129 CO -0.40 0.68 -0.32 1.88 0.00 0.00 0.00 179.25 181.09 3ic2 h TYR 130 N 0.77 0.00 -0.05 0.00 0.05 -0.04 -2.62 116.97 115.07 3ic2 h TYR 130 Ca 0.06 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3ic2 h TYR 130 Cb 0.98 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 3ic2 h TYR 130 CO 0.06 0.32 -0.44 1.96 -1.05 0.00 0.00 178.16 179.02 3ic2 h GLN 131 N 0.00 0.12 -0.36 4.88 1.08 -0.36 -1.48 115.11 118.99 3ic2 h GLN 131 Ca -0.00 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 3ic2 h GLN 131 Cb 0.82 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 3ic2 h GLN 131 CO 0.04 0.54 -0.07 0.87 -0.95 0.00 0.00 178.83 179.25 3ic2 h LYS 132 N 0.10 0.68 -0.49 1.46 1.57 -1.41 -1.91 116.57 116.56 3ic2 h LYS 132 Ca 0.01 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 3ic2 h LYS 132 Cb 0.82 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3ic2 h LYS 132 CO 0.06 0.83 0.12 0.28 -0.57 0.00 0.00 179.45 180.17 3ic2 h VAL 133 N 0.48 1.24 0.00 0.50 2.07 -1.24 -1.87 116.25 117.43 3ic2 h VAL 133 Ca 0.09 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 3ic2 h VAL 133 Cb 0.57 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ic2 h VAL 133 CO 0.03 0.30 -0.58 -0.37 0.02 0.00 0.00 177.57 176.98 3ic2 h VAL 134 N 0.67 1.25 -0.34 2.57 -1.51 -1.26 -1.53 116.25 116.09 3ic2 h VAL 134 Ca 0.15 -2.11 -0.17 0.00 -1.23 0.00 0.00 66.70 63.34 3ic2 h VAL 134 Cb 0.33 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3ic2 h VAL 134 CO 0.00 0.57 -0.45 0.00 -1.23 0.00 0.00 177.57 176.46 3ic2 h ALA 135 N 1.42 0.55 0.57 5.19 0.00 -1.28 -0.97 119.26 124.74 3ic2 h ALA 135 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3ic2 h ALA 135 Cb 1.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ic2 h ALA 135 CO 0.08 0.68 -0.27 0.78 0.00 0.00 0.00 179.25 180.51 3ic2 h GLY 136 N 0.76 -0.80 0.38 0.00 0.00 -1.11 0.25 103.07 102.56 3ic2 h GLY 136 Ca 0.04 0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.73 3ic2 h GLY 136 CO 0.10 -0.29 -0.07 -2.08 0.00 0.00 0.00 176.54 174.20 3ic2 h VAL 137 N -0.77 0.69 -0.15 4.60 2.07 -1.28 0.32 116.25 121.74 3ic2 h VAL 137 Ca -0.08 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3ic2 h VAL 137 Cb 0.59 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3ic2 h VAL 137 CO 0.13 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.65 3ic2 h ALA 138 N 1.31 0.06 -0.20 1.67 0.00 -0.99 0.32 119.26 121.42 3ic2 h ALA 138 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3ic2 h ALA 138 Cb 0.23 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ic2 h ALA 138 CO -0.32 -0.51 -0.03 -0.91 0.00 0.00 0.00 179.25 177.47 3ic2 h ASN 139 N -0.06 0.28 -0.21 0.00 2.35 -0.01 -2.17 115.58 115.76 3ic2 h ASN 139 Ca 0.08 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 3ic2 h ASN 139 Cb 0.18 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3ic2 h ASN 139 CO -0.18 0.37 -0.34 0.00 -1.65 0.00 0.00 177.43 175.62 3ic2 h ALA 140 N 1.67 0.33 0.00 -0.83 0.00 0.76 -2.22 119.26 118.97 3ic2 h ALA 140 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ic2 h ALA 140 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ic2 h ALA 140 CO 0.01 0.38 -0.10 -0.07 0.00 0.00 0.00 179.25 179.47 3ic2 h LEU 141 N 0.29 0.00 -1.86 0.00 3.38 -0.05 -2.13 115.31 114.93 3ic2 h LEU 141 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ic2 h LEU 141 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ic2 h LEU 141 CO 0.08 0.10 -0.01 0.00 0.09 0.00 0.00 178.44 178.69 3ic2 n ALA 142 N -2.20 2.50 0.03 1.53 0.00 -0.85 -4.39 120.51 117.13 3ic2 n ALA 142 Ca -0.01 -0.68 0.22 0.00 0.00 0.00 0.00 53.44 52.97 3ic2 n ALA 142 Cb 0.27 -0.82 0.65 0.00 0.00 0.00 0.00 19.45 19.55 3ic2 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ic2 h HIS 143 N 4.55 0.00 0.00 0.00 6.17 -0.74 0.10 115.15 125.23 3ic2 h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3ic2 h HIS 143 Cb 0.97 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.90 3ic2 h HIS 143 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 3ic2 n LYS 144 N -3.50 0.53 -3.11 5.26 4.76 -1.26 -2.84 118.16 118.01 3ic2 n LYS 144 Ca 0.11 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.37 3ic2 n LYS 144 Cb 0.87 -1.25 -0.03 0.00 -1.84 0.00 0.00 35.03 32.78 3ic2 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3ic2 n TYR 145 N 0.45 0.76 -1.28 2.13 4.01 0.36 -4.95 117.16 118.64 3ic2 n TYR 145 Ca 0.00 -3.75 0.00 0.00 -0.16 0.00 0.00 57.90 53.99 3ic2 n TYR 145 Cb 0.19 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3ic2 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12