#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic2 s LEU 2 N 0.00 4.41 0.58 7.52 1.43 -1.26 -5.07 118.68 126.29 3ic2 s LEU 2 Ca 0.00 1.70 -0.05 0.00 -1.03 0.00 0.00 54.13 54.76 3ic2 s LEU 2 Cb 0.00 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.48 3ic2 s LEU 2 CO 0.00 0.02 0.87 -0.94 0.23 0.00 0.00 176.35 176.54 3ic2 s SER 3 N -1.51 5.54 0.47 2.29 1.04 -1.26 -4.93 113.70 115.33 3ic2 s SER 3 Ca 0.45 0.60 0.12 0.00 0.48 0.00 0.00 55.95 57.60 3ic2 s SER 3 Cb -0.19 -1.59 1.08 0.00 0.10 0.00 0.00 66.02 65.42 3ic2 s SER 3 CO 0.24 -1.06 2.11 -0.65 0.98 0.00 0.00 173.24 174.85 3ic2 h PRO 4 N -0.12 0.25 -0.20 4.02 0.11 -2.00 -0.96 132.00 133.10 3ic2 h PRO 4 Ca -0.45 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3ic2 h PRO 4 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ic2 h PRO 4 CO 0.60 0.16 -0.44 0.00 -0.21 0.00 0.00 178.00 178.12 3ic2 h ALA 5 N 1.88 0.88 -0.54 -0.75 0.00 -1.99 -2.19 119.26 116.54 3ic2 h ALA 5 Ca 0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3ic2 h ALA 5 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ic2 h ALA 5 CO -0.02 0.65 0.25 -0.44 0.00 0.00 0.00 179.25 179.69 3ic2 h ASP 6 N 0.39 0.71 -0.35 0.00 3.32 -1.55 0.21 116.42 119.16 3ic2 h ASP 6 Ca 0.03 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3ic2 h ASP 6 Cb 0.93 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3ic2 h ASP 6 CO 0.08 0.65 0.00 0.11 -1.72 0.00 0.00 179.24 178.37 3ic2 h LYS 7 N 0.73 0.72 -0.09 3.56 1.57 -1.38 0.20 116.57 121.88 3ic2 h LYS 7 Ca 0.19 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ic2 h LYS 7 Cb 0.13 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ic2 h LYS 7 CO -0.02 0.73 0.01 1.15 -0.57 0.00 0.00 179.45 180.75 3ic2 h THR 8 N 0.68 1.23 -0.43 -0.16 2.02 -0.70 -1.01 112.91 114.54 3ic2 h THR 8 Ca 0.14 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3ic2 h THR 8 Cb 0.41 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3ic2 h THR 8 CO 0.02 0.20 0.11 0.78 0.37 0.00 0.00 175.52 177.00 3ic2 h ASN 9 N -0.11 0.65 -0.32 4.18 2.35 -0.32 -2.27 115.58 119.74 3ic2 h ASN 9 Ca 0.03 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3ic2 h ASN 9 Cb 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3ic2 h ASN 9 CO 0.00 0.70 0.03 0.58 -1.65 0.00 0.00 177.43 177.09 3ic2 h VAL 10 N 0.56 1.25 -0.38 2.81 2.07 -0.58 0.31 116.25 122.28 3ic2 h VAL 10 Ca 0.14 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3ic2 h VAL 10 Cb 0.30 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3ic2 h VAL 10 CO -0.00 0.29 -0.03 0.11 0.02 0.00 0.00 177.57 177.96 3ic2 h LYS 11 N 0.36 0.62 0.18 1.57 1.57 -1.19 0.75 116.57 120.43 3ic2 h LYS 11 Ca 0.09 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ic2 h LYS 11 Cb 0.39 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ic2 h LYS 11 CO 0.01 0.66 -0.09 0.00 -0.57 0.00 0.00 179.45 179.47 3ic2 h ALA 12 N 1.39 -0.24 -0.75 3.86 0.00 -1.21 -1.85 119.26 120.45 3ic2 h ALA 12 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ic2 h ALA 12 Cb 0.42 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ic2 h ALA 12 CO 0.02 -0.40 0.28 0.00 0.00 0.00 0.00 179.25 179.14 3ic2 h ALA 13 N -0.05 0.97 -0.07 0.00 0.00 -0.87 -2.86 119.26 116.38 3ic2 h ALA 13 Ca -0.02 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3ic2 h ALA 13 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ic2 h ALA 13 CO 0.04 0.61 -0.56 2.35 0.00 0.00 0.00 179.25 181.70 3ic2 h TRP 14 N 1.08 0.27 0.00 0.00 2.91 -0.92 -2.88 115.95 116.41 3ic2 h TRP 14 Ca 0.25 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 3ic2 h TRP 14 Cb 0.24 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 3ic2 h TRP 14 CO 0.02 0.72 -0.08 0.78 -1.03 0.00 0.00 178.44 178.86 3ic2 h GLY 15 N 1.45 0.00 1.97 2.65 0.00 -1.10 -0.87 103.07 107.17 3ic2 h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ic2 h GLY 15 CO 0.09 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.89 3ic2 n LYS 16 N -3.60 0.09 -0.02 4.80 5.02 -1.09 -3.07 118.16 120.30 3ic2 n LYS 16 Ca -0.02 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.18 3ic2 n LYS 16 Cb 0.20 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 3ic2 n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ic2 h VAL 17 N 0.00 1.54 0.00 -0.18 2.07 -1.22 -3.47 116.25 114.99 3ic2 h VAL 17 Ca 0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3ic2 h VAL 17 Cb 0.58 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3ic2 h VAL 17 CO 0.00 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3ic2 n GLY 18 N 1.16 2.51 0.00 2.17 0.00 -1.17 0.03 105.19 109.88 3ic2 n GLY 18 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3ic2 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic2 n ALA 19 N 6.86 0.81 0.53 4.61 0.00 -1.26 -0.25 120.51 131.80 3ic2 n ALA 19 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3ic2 n ALA 19 Cb 0.00 -0.79 0.33 0.00 0.00 0.00 0.00 19.45 18.99 3ic2 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ic2 h HIS 20 N 0.00 0.00 -0.80 0.00 -0.00 -0.75 -3.39 115.15 110.21 3ic2 h HIS 20 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 3ic2 h HIS 20 Cb 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 27.51 3ic2 h HIS 20 CO 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 177.93 177.49 3ic2 n ALA 21 N -1.86 -0.42 -0.04 2.45 0.00 0.65 -0.91 120.51 120.37 3ic2 n ALA 21 Ca 0.05 0.70 -0.08 0.00 0.00 0.00 0.00 53.44 54.11 3ic2 n ALA 21 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 3ic2 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ic2 h GLY 22 N 0.00 0.17 0.74 0.00 0.00 -1.83 0.14 103.07 102.29 3ic2 h GLY 22 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 3ic2 h GLY 22 CO -0.76 -0.06 -0.50 -2.09 0.00 0.00 0.00 176.54 173.13 3ic2 h GLU 23 N 0.03 -1.13 -0.85 4.80 4.81 -1.43 -1.98 114.58 118.82 3ic2 h GLU 23 Ca 0.10 0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 3ic2 h GLU 23 Cb 0.14 0.26 -0.09 0.00 0.63 0.00 0.00 28.75 29.69 3ic2 h GLU 23 CO -0.19 -0.75 0.47 1.88 -0.73 0.00 0.00 179.01 179.68 3ic2 h TYR 24 N -1.17 0.83 -0.86 0.92 -1.99 -0.88 0.62 116.97 114.44 3ic2 h TYR 24 Ca -0.10 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 3ic2 h TYR 24 Cb 0.95 -0.24 -0.04 0.00 2.00 0.00 0.00 36.73 39.40 3ic2 h TYR 24 CO -0.14 0.27 0.52 0.78 -0.00 0.00 0.00 178.16 179.59 3ic2 h GLY 25 N 0.72 1.24 1.11 3.88 0.00 -0.83 -0.08 103.07 109.10 3ic2 h GLY 25 Ca 0.44 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3ic2 h GLY 25 CO -0.31 0.49 -0.03 0.00 0.00 0.00 0.00 176.54 176.69 3ic2 h ALA 26 N 1.39 0.83 -0.59 3.60 0.00 -0.17 -1.56 119.26 122.75 3ic2 h ALA 26 Ca 0.31 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ic2 h ALA 26 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ic2 h ALA 26 CO -0.06 0.67 0.03 1.49 0.00 0.00 0.00 179.25 181.39 3ic2 h GLU 27 N 0.96 1.03 -0.01 0.00 4.81 -0.32 -1.32 114.58 119.73 3ic2 h GLU 27 Ca 0.16 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3ic2 h GLU 27 Cb 0.59 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3ic2 h GLU 27 CO 0.04 1.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.32 3ic2 h ALA 28 N 0.99 0.01 -0.33 2.92 0.00 -0.83 0.84 119.26 122.86 3ic2 h ALA 28 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3ic2 h ALA 28 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3ic2 h ALA 28 CO 0.02 -0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 178.74 3ic2 h LEU 29 N -0.07 -0.17 -0.54 0.00 3.38 -1.15 0.13 115.31 116.89 3ic2 h LEU 29 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ic2 h LEU 29 Cb 0.09 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ic2 h LEU 29 CO -0.00 -0.05 0.35 -0.08 0.09 0.00 0.00 178.44 178.76 3ic2 h GLU 30 N 0.07 0.70 -0.59 1.13 4.81 -0.99 0.17 114.58 119.88 3ic2 h GLU 30 Ca 0.16 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3ic2 h GLU 30 Cb 0.22 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3ic2 h GLU 30 CO -0.28 0.46 0.36 0.00 -0.73 0.00 0.00 179.01 178.82 3ic2 h ARG 31 N 0.72 0.68 0.21 1.92 3.08 0.00 -0.92 114.38 120.09 3ic2 h ARG 31 Ca 0.20 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ic2 h ARG 31 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3ic2 h ARG 31 CO -0.05 0.45 -0.17 1.98 -1.07 0.00 0.00 179.97 181.11 3ic2 h MET 32 N 0.71 -0.38 -0.90 0.04 4.05 0.04 0.03 114.93 118.52 3ic2 h MET 32 Ca 0.24 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.81 3ic2 h MET 32 Cb 0.03 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.84 3ic2 h MET 32 CO -0.10 -0.25 0.58 0.74 0.23 0.00 0.00 176.91 178.10 3ic2 h PHE 33 N -0.39 0.90 0.19 1.39 0.04 -0.10 0.22 116.94 119.19 3ic2 h PHE 33 Ca -0.01 0.03 -0.27 0.00 2.80 0.00 0.00 57.97 60.52 3ic2 h PHE 33 Cb 0.35 -0.29 0.03 0.00 2.20 0.00 0.00 35.95 38.24 3ic2 h PHE 33 CO -0.12 0.36 -1.19 -0.07 -0.60 0.00 0.00 178.31 176.70 3ic2 h LEU 34 N 0.79 0.63 -0.52 1.54 3.38 -0.94 -3.25 115.31 116.95 3ic2 h LEU 34 Ca 0.44 -0.93 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 3ic2 h LEU 34 Cb 0.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ic2 h LEU 34 CO -0.20 1.57 -0.74 0.28 0.09 0.00 0.00 178.44 179.44 3ic2 h SER 35 N -0.13 0.02 -2.56 -0.43 0.02 -0.70 -3.38 113.55 106.39 3ic2 h SER 35 Ca -0.21 -0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.13 3ic2 h SER 35 Cb 1.90 -0.01 -0.39 0.00 0.14 0.00 0.00 62.40 64.04 3ic2 h SER 35 CO 0.20 0.75 -0.88 -0.36 -1.14 0.00 0.00 176.83 175.40 3ic2 s PHE 36 N -3.34 1.66 0.35 3.45 0.08 0.76 -4.99 117.98 115.95 3ic2 s PHE 36 Ca -0.01 -2.54 0.15 0.00 0.12 0.00 0.00 56.93 54.65 3ic2 s PHE 36 Cb 0.12 -1.34 1.08 0.00 -0.57 0.00 0.00 43.02 42.30 3ic2 s PHE 36 CO 0.78 -0.76 1.68 -1.35 -0.10 0.00 0.00 175.22 175.47 3ic2 h PRO 37 N 5.64 0.36 -1.00 0.24 0.11 -1.75 -1.60 132.00 134.00 3ic2 h PRO 37 Ca 0.23 -0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.59 3ic2 h PRO 37 Cb 0.88 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.77 3ic2 h PRO 37 CO 0.45 0.24 0.58 1.15 -0.21 0.00 0.00 178.00 180.20 3ic2 h THR 38 N 0.37 0.44 0.00 -1.15 2.02 -1.93 0.17 112.91 112.82 3ic2 h THR 38 Ca 0.71 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.73 3ic2 h THR 38 Cb 1.64 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3ic2 h THR 38 CO -0.53 0.09 0.01 0.35 0.37 0.00 0.00 175.52 175.80 3ic2 n THR 39 N -4.96 1.87 0.18 3.16 -2.24 -0.60 -2.39 114.28 109.30 3ic2 n THR 39 Ca 0.29 0.52 0.06 0.00 -2.27 0.00 0.00 64.05 62.66 3ic2 n THR 39 Cb 0.84 -1.52 0.24 0.00 -2.10 0.00 0.00 70.33 67.78 3ic2 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ic2 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -0.86 -3.16 116.57 113.35 3ic2 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ic2 h LYS 40 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ic2 h LYS 40 CO 0.00 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 179.47 3ic2 n THR 41 N -3.31 1.45 0.67 -0.16 -2.24 -1.00 -0.65 114.28 109.03 3ic2 n THR 41 Ca 0.01 0.54 0.13 0.00 -2.27 0.00 0.00 64.05 62.45 3ic2 n THR 41 Cb 0.58 -1.50 0.31 0.00 -2.10 0.00 0.00 70.33 67.61 3ic2 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ic2 n TYR 42 N -1.84 0.60 -2.78 4.78 4.01 -1.19 -4.04 117.16 116.70 3ic2 n TYR 42 Ca 0.00 0.17 -0.19 0.00 -0.16 0.00 0.00 57.90 57.72 3ic2 n TYR 42 Cb 0.05 -0.71 -0.00 0.00 -0.31 0.00 0.00 39.34 38.36 3ic2 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ic2 n PHE 43 N -2.06 2.13 -0.03 -0.72 3.01 0.18 -4.93 117.46 115.04 3ic2 n PHE 43 Ca 0.05 -3.34 0.11 0.00 1.01 0.00 0.00 57.45 55.28 3ic2 n PHE 43 Cb 0.42 -0.33 0.52 0.00 -0.01 0.00 0.00 39.48 40.08 3ic2 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3ic2 h PRO 44 N 2.88 0.35 0.00 -1.08 0.13 -1.69 -2.10 132.00 130.49 3ic2 h PRO 44 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3ic2 h PRO 44 Cb 0.93 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ic2 h PRO 44 CO 0.66 0.23 -0.73 1.12 -0.23 0.00 0.00 178.00 179.05 3ic2 h HIS 45 N 0.36 0.00 -4.12 1.56 2.07 -1.92 -3.48 115.15 109.63 3ic2 h HIS 45 Ca 0.23 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.26 3ic2 h HIS 45 Cb 0.43 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.47 3ic2 h HIS 45 CO -0.00 0.00 0.40 -0.06 -3.07 0.00 0.00 177.93 175.19 3ic2 s PHE 46 N -3.18 2.86 -0.39 6.12 0.40 -0.79 -5.01 117.98 117.99 3ic2 s PHE 46 Ca 0.05 1.55 -0.20 0.00 -0.60 0.00 0.00 56.93 57.73 3ic2 s PHE 46 Cb 0.13 -3.13 0.01 0.00 0.51 0.00 0.00 43.02 40.55 3ic2 s PHE 46 CO 0.74 -1.22 0.60 0.34 0.70 0.00 0.00 175.22 176.38 3ic2 s ASP 47 N -2.20 6.34 0.00 1.36 -1.08 -1.26 -4.92 116.67 114.91 3ic2 s ASP 47 Ca 0.68 -0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 3ic2 s ASP 47 Cb -0.19 -2.30 0.27 0.00 -1.46 0.00 0.00 42.92 39.24 3ic2 s ASP 47 CO 0.29 -0.64 1.26 0.18 0.52 0.00 0.00 175.17 176.79 3ic2 n LEU 48 N 6.03 3.05 -4.58 -1.34 4.77 -1.26 -4.30 117.00 119.37 3ic2 n LEU 48 Ca -0.03 -1.23 -0.36 0.00 -0.03 0.00 0.00 56.01 54.36 3ic2 n LEU 48 Cb 0.48 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3ic2 n LEU 48 CO 0.50 0.59 0.41 -1.54 -1.33 0.00 0.00 177.39 176.02 3ic2 n SER 49 N 1.29 0.09 -4.68 -1.43 3.41 -1.26 -4.81 113.62 106.23 3ic2 n SER 49 Ca 0.15 0.67 -0.46 0.00 -0.26 0.00 0.00 58.87 58.97 3ic2 n SER 49 Cb 0.56 -1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.11 3ic2 n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3ic2 n HIS 50 N -2.35 2.36 -0.23 7.33 -0.00 -1.26 -0.85 115.22 120.23 3ic2 n HIS 50 Ca 0.12 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.37 3ic2 n HIS 50 Cb 0.49 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 3ic2 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ic2 n GLY 51 N 3.99 0.89 3.40 1.57 0.00 -1.26 -5.02 105.19 108.76 3ic2 n GLY 51 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 3ic2 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ic2 n SER 52 N 0.00 -1.35 0.09 1.61 2.88 -0.03 -4.86 113.62 111.97 3ic2 n SER 52 Ca 0.00 1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 58.56 3ic2 n SER 52 Cb 0.00 -0.97 -0.03 0.00 -0.75 0.00 0.00 64.21 62.45 3ic2 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ic2 h ALA 53 N 0.93 0.52 0.12 -1.46 0.00 -1.90 -2.61 119.26 114.87 3ic2 h ALA 53 Ca -0.32 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 3ic2 h ALA 53 Cb 1.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ic2 h ALA 53 CO 0.55 1.02 -0.06 1.96 0.00 0.00 0.00 179.25 182.72 3ic2 h GLN 54 N 0.00 -0.15 -0.84 0.00 4.20 -1.89 -1.15 115.11 115.28 3ic2 h GLN 54 Ca -0.01 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.79 3ic2 h GLN 54 Cb 1.57 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 29.32 3ic2 h GLN 54 CO 0.11 0.20 0.51 0.28 -0.67 0.00 0.00 178.83 179.25 3ic2 h VAL 55 N -0.52 0.99 -0.20 -0.54 2.07 -1.75 0.45 116.25 116.76 3ic2 h VAL 55 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ic2 h VAL 55 Cb 0.42 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3ic2 h VAL 55 CO 0.03 0.16 0.09 0.11 0.02 0.00 0.00 177.57 177.98 3ic2 h LYS 56 N 0.90 0.19 -0.57 1.57 1.57 -1.31 -1.37 116.57 117.55 3ic2 h LYS 56 Ca 0.38 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.04 3ic2 h LYS 56 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3ic2 h LYS 56 CO -0.20 0.13 -0.06 0.78 -0.57 0.00 0.00 179.45 179.53 3ic2 h GLY 57 N 0.20 1.14 1.00 3.86 0.00 -0.52 -3.03 103.07 105.72 3ic2 h GLY 57 Ca 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 3ic2 h GLY 57 CO -0.07 0.81 0.22 0.84 0.00 0.00 0.00 176.54 178.34 3ic2 h HIS 58 N 0.95 0.94 -0.06 5.60 -0.00 -0.70 -2.11 115.15 119.76 3ic2 h HIS 58 Ca 0.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 3ic2 h HIS 58 Cb 0.63 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3ic2 h HIS 58 CO 0.04 0.76 -0.01 0.78 -0.00 0.00 0.00 177.93 179.50 3ic2 h GLY 59 N 0.84 0.09 1.67 5.26 0.00 -1.23 0.13 103.07 109.82 3ic2 h GLY 59 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3ic2 h GLY 59 CO -0.01 0.03 -0.36 1.70 0.00 0.00 0.00 176.54 177.91 3ic2 h LYS 60 N 0.08 0.38 -0.02 4.80 3.11 -1.27 0.51 116.57 124.16 3ic2 h LYS 60 Ca 0.02 -0.17 -0.23 0.00 -2.81 0.00 0.00 60.65 57.46 3ic2 h LYS 60 Cb 0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.31 3ic2 h LYS 60 CO 0.00 0.69 -0.88 0.87 -2.81 0.00 0.00 179.45 177.32 3ic2 h LYS 61 N 0.32 0.63 -0.38 1.90 1.57 -0.52 -2.12 116.57 117.98 3ic2 h LYS 61 Ca 0.04 -0.65 -0.05 0.00 -1.87 0.00 0.00 60.65 58.12 3ic2 h LYS 61 Cb 0.78 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3ic2 h LYS 61 CO 0.06 1.25 0.05 0.28 -0.57 0.00 0.00 179.45 180.52 3ic2 h VAL 62 N 0.26 1.24 -0.81 0.50 2.07 -0.62 -1.64 116.25 117.25 3ic2 h VAL 62 Ca -0.11 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3ic2 h VAL 62 Cb 1.55 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 3ic2 h VAL 62 CO 0.17 0.30 0.47 0.00 0.02 0.00 0.00 177.57 178.54 3ic2 h ALA 63 N 0.90 1.04 -0.19 1.67 0.00 -0.01 -1.73 119.26 120.93 3ic2 h ALA 63 Ca 0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3ic2 h ALA 63 Cb 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ic2 h ALA 63 CO 0.01 0.52 -0.54 -0.44 0.00 0.00 0.00 179.25 178.80 3ic2 h ASP 64 N 1.12 0.63 -0.73 0.00 3.32 -1.27 -2.15 116.42 117.34 3ic2 h ASP 64 Ca 0.29 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ic2 h ASP 64 Cb -0.02 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 3ic2 h ASP 64 CO -0.05 1.04 0.47 0.00 -1.72 0.00 0.00 179.24 178.98 3ic2 h ALA 65 N 0.97 0.93 -0.14 3.45 0.00 -0.89 0.43 119.26 124.01 3ic2 h ALA 65 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3ic2 h ALA 65 Cb 1.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ic2 h ALA 65 CO 0.10 0.30 -0.20 -0.07 0.00 0.00 0.00 179.25 179.38 3ic2 h LEU 66 N 0.95 0.23 -0.60 0.00 3.38 -1.14 0.10 115.31 118.23 3ic2 h LEU 66 Ca 0.28 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 3ic2 h LEU 66 Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ic2 h LEU 66 CO -0.08 0.45 -0.25 0.74 0.09 0.00 0.00 178.44 179.40 3ic2 h THR 67 N 0.22 1.27 -0.20 0.22 2.02 -0.54 -0.71 112.91 115.21 3ic2 h THR 67 Ca 0.04 -1.39 -0.13 0.00 0.77 0.00 0.00 66.41 65.71 3ic2 h THR 67 Cb 0.49 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ic2 h THR 67 CO 0.03 0.47 -0.42 -1.13 0.37 0.00 0.00 175.52 174.84 3ic2 h ASN 68 N 0.74 0.49 -0.39 4.18 -1.24 -0.19 -2.45 115.58 116.71 3ic2 h ASN 68 Ca 0.09 -0.22 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 3ic2 h ASN 68 Cb 0.79 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3ic2 h ASN 68 CO 0.07 0.85 -0.11 0.00 -1.29 0.00 0.00 177.43 176.95 3ic2 h ALA 69 N 1.17 0.94 -0.26 1.57 0.00 -0.44 -2.03 119.26 120.20 3ic2 h ALA 69 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3ic2 h ALA 69 Cb 0.90 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ic2 h ALA 69 CO 0.08 0.62 -0.20 0.28 0.00 0.00 0.00 179.25 180.03 3ic2 h VAL 70 N 0.76 1.25 -0.25 0.00 2.07 -0.91 -1.54 116.25 117.63 3ic2 h VAL 70 Ca 0.12 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3ic2 h VAL 70 Cb 0.62 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ic2 h VAL 70 CO 0.04 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.85 3ic2 h ALA 71 N 1.37 0.35 -1.00 1.67 0.00 -1.12 -3.14 119.26 117.39 3ic2 h ALA 71 Ca 0.07 -0.32 -0.68 0.00 0.00 0.00 0.00 54.91 53.97 3ic2 h ALA 71 Cb 0.59 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 17.99 3ic2 h ALA 71 CO 0.04 0.24 0.66 0.72 0.00 0.00 0.00 179.25 180.91 3ic2 n HIS 72 N -4.45 3.13 0.15 0.00 8.25 -0.79 -4.72 115.22 116.78 3ic2 n HIS 72 Ca -0.04 -2.77 0.15 0.00 -0.26 0.00 0.00 57.72 54.80 3ic2 n HIS 72 Cb 0.37 -1.20 0.71 0.00 1.12 0.00 0.00 29.99 30.99 3ic2 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3ic2 h VAL 73 N 1.47 0.78 -0.20 1.59 3.04 -1.23 0.11 116.25 121.81 3ic2 h VAL 73 Ca 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 3ic2 h VAL 73 Cb 0.69 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3ic2 h VAL 73 CO 1.43 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.46 3ic2 n ASP 74 N -4.31 2.22 -2.72 3.17 8.00 -1.26 -4.15 116.55 117.49 3ic2 n ASP 74 Ca 0.03 -1.79 -0.01 0.00 0.71 0.00 0.00 54.79 53.74 3ic2 n ASP 74 Cb 0.33 -0.12 0.07 0.00 -0.02 0.00 0.00 41.12 41.38 3ic2 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ic2 n ASP 75 N 0.69 0.69 0.07 -2.24 2.03 0.27 -4.99 116.55 113.07 3ic2 n ASP 75 Ca 0.17 -2.07 -0.12 0.00 0.52 0.00 0.00 54.79 53.29 3ic2 n ASP 75 Cb 0.43 -0.15 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 3ic2 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3ic2 h MET 76 N 2.08 -0.21 -0.72 -0.67 2.86 -1.40 -2.03 114.93 114.85 3ic2 h MET 76 Ca -0.23 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3ic2 h MET 76 Cb 1.30 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.90 3ic2 h MET 76 CO 0.07 -0.14 0.11 -1.35 1.06 0.00 0.00 176.91 176.66 3ic2 h PRO 77 N -0.22 0.20 -0.22 -0.22 0.11 -1.94 0.42 132.00 130.12 3ic2 h PRO 77 Ca 0.03 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 3ic2 h PRO 77 Cb 0.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3ic2 h PRO 77 CO -0.08 0.13 -0.59 -0.91 -0.21 0.00 0.00 178.00 176.34 3ic2 h ASN 78 N 0.20 0.91 -0.46 -2.05 2.35 -1.96 -2.04 115.58 112.53 3ic2 h ASN 78 Ca 0.40 -0.57 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3ic2 h ASN 78 Cb 0.69 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3ic2 h ASN 78 CO -0.55 1.32 0.08 0.00 -1.65 0.00 0.00 177.43 176.63 3ic2 h ALA 79 N 0.61 0.60 -0.72 -0.83 0.00 -0.47 -3.17 119.26 115.28 3ic2 h ALA 79 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ic2 h ALA 79 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ic2 h ALA 79 CO 0.13 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.98 3ic2 n LEU 80 N -4.47 3.95 -0.31 0.00 4.77 0.14 -4.63 117.00 116.45 3ic2 n LEU 80 Ca 0.00 -1.96 0.16 0.00 -0.03 0.00 0.00 56.01 54.18 3ic2 n LEU 80 Cb 0.24 -0.48 0.34 0.00 -2.33 0.00 0.00 43.42 41.19 3ic2 n LEU 80 CO 0.40 0.98 0.97 0.77 -1.33 0.00 0.00 177.39 179.18 3ic2 h SER 81 N 4.36 0.07 -0.45 -1.43 4.64 -1.34 0.28 113.55 119.67 3ic2 h SER 81 Ca 0.00 0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3ic2 h SER 81 Cb 1.00 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3ic2 h SER 81 CO 0.00 -0.18 0.02 0.00 -0.87 0.00 0.00 176.83 175.80 3ic2 h ALA 82 N 1.82 1.06 0.00 5.18 0.00 -1.85 -1.05 119.26 124.42 3ic2 h ALA 82 Ca 0.60 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3ic2 h ALA 82 Cb 1.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ic2 h ALA 82 CO -0.68 0.59 -0.34 -0.07 0.00 0.00 0.00 179.25 178.76 3ic2 h LEU 83 N 0.80 0.00 0.01 0.00 3.38 -0.89 -2.28 115.31 116.33 3ic2 h LEU 83 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ic2 h LEU 83 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ic2 h LEU 83 CO 0.02 0.34 -0.01 -1.28 0.09 0.00 0.00 178.44 177.60 3ic2 h SER 84 N 0.00 -0.01 -0.69 -0.43 0.87 0.05 -0.05 113.55 113.29 3ic2 h SER 84 Ca -0.00 -0.30 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 3ic2 h SER 84 Cb 0.80 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.69 3ic2 h SER 84 CO 0.04 0.30 0.30 0.44 -0.53 0.00 0.00 176.83 177.38 3ic2 h ASP 85 N -0.32 0.34 0.77 6.23 3.32 -0.99 0.11 116.42 125.88 3ic2 h ASP 85 Ca -0.00 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3ic2 h ASP 85 Cb 0.32 0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ic2 h ASP 85 CO 0.00 0.18 -0.37 0.25 -1.72 0.00 0.00 179.24 177.58 3ic2 h LEU 86 N 0.50 -0.87 -0.54 1.55 5.85 -1.19 0.98 115.31 121.59 3ic2 h LEU 86 Ca 0.36 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.94 3ic2 h LEU 86 Cb 0.45 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3ic2 h LEU 86 CO -0.32 -0.59 -0.68 0.45 -0.34 0.00 0.00 178.44 176.96 3ic2 h HIS 87 N -1.10 0.34 0.04 1.25 3.86 -0.87 0.23 115.15 118.89 3ic2 h HIS 87 Ca -0.11 -0.14 -0.33 0.00 -1.16 0.00 0.00 60.37 58.63 3ic2 h HIS 87 Cb 0.79 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 3ic2 h HIS 87 CO 0.04 0.85 -1.87 0.00 0.86 0.00 0.00 177.93 177.81 3ic2 n ALA 88 N -2.47 0.97 -0.05 2.45 0.00 0.37 -0.93 120.51 120.86 3ic2 n ALA 88 Ca -0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 3ic2 n ALA 88 Cb 0.67 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 3ic2 n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ic2 h HIS 89 N -0.56 -0.02 0.00 0.00 3.86 -0.99 -3.29 115.15 114.15 3ic2 h HIS 89 Ca -0.47 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.68 3ic2 h HIS 89 Cb 1.65 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.12 3ic2 h HIS 89 CO 0.05 0.34 -0.35 -0.22 0.86 0.00 0.00 177.93 178.61 3ic2 h LYS 90 N -1.00 0.00 0.00 2.45 3.64 -0.70 -3.40 116.57 117.57 3ic2 h LYS 90 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 3ic2 h LYS 90 Cb 0.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3ic2 h LYS 90 CO 0.00 0.94 -1.13 -0.07 -2.27 0.00 0.00 179.45 176.92 3ic2 h LEU 91 N -1.00 0.00 -1.59 5.20 3.38 -0.69 -3.48 115.31 117.13 3ic2 h LEU 91 Ca -0.10 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.44 3ic2 h LEU 91 Cb 1.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.81 3ic2 h LEU 91 CO -0.06 0.86 -0.82 0.54 0.09 0.00 0.00 178.44 179.06 3ic2 n ARG 92 N -3.20 -4.96 -1.97 1.13 1.74 -0.10 -4.88 116.66 104.43 3ic2 n ARG 92 Ca -0.05 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 3ic2 n ARG 92 Cb 0.92 -5.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.12 3ic2 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ic2 s VAL 93 N -3.60 2.65 0.04 1.55 1.01 -0.33 -4.93 120.40 116.78 3ic2 s VAL 93 Ca 0.17 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 3ic2 s VAL 93 Cb -0.08 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3ic2 s VAL 93 CO 0.82 0.05 1.48 -0.62 0.00 0.00 0.00 175.10 176.84 3ic2 s ASP 94 N 0.84 6.77 0.48 3.32 -1.08 -1.26 -4.88 116.67 120.85 3ic2 s ASP 94 Ca 0.66 2.27 0.34 0.00 -0.52 0.00 0.00 52.55 55.30 3ic2 s ASP 94 Cb -0.43 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 39.94 3ic2 s ASP 94 CO 0.36 -0.76 1.67 -0.65 0.52 0.00 0.00 175.17 176.31 3ic2 h PRO 95 N 7.82 0.09 -0.64 4.34 0.11 -1.96 -0.10 132.00 141.66 3ic2 h PRO 95 Ca -0.40 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.80 3ic2 h PRO 95 Cb 1.19 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3ic2 h PRO 95 CO 0.91 0.06 0.42 -0.24 -0.21 0.00 0.00 178.00 178.94 3ic2 h VAL 96 N 0.09 0.91 -0.16 3.15 3.04 -2.02 -1.02 116.25 120.24 3ic2 h VAL 96 Ca 0.77 -0.16 -0.07 0.00 -1.01 0.00 0.00 66.70 66.22 3ic2 h VAL 96 Cb 2.63 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 3ic2 h VAL 96 CO -0.23 0.09 -0.21 0.78 -1.01 0.00 0.00 177.57 176.98 3ic2 h ASN 97 N 0.47 0.27 0.38 3.17 2.35 -1.39 -2.32 115.58 118.53 3ic2 h ASN 97 Ca 0.29 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3ic2 h ASN 97 Cb 0.52 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3ic2 h ASN 97 CO -0.09 0.50 -0.27 -0.26 -1.65 0.00 0.00 177.43 175.66 3ic2 h PHE 98 N 0.26 0.00 -0.06 1.19 -1.00 -1.32 -1.50 116.94 114.50 3ic2 h PHE 98 Ca 0.04 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.63 3ic2 h PHE 98 Cb 0.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 3ic2 h PHE 98 CO 0.01 0.27 -0.78 0.87 -1.61 0.00 0.00 178.31 177.06 3ic2 h LYS 99 N 0.00 0.40 -0.10 1.51 1.57 -1.36 -2.51 116.57 116.08 3ic2 h LYS 99 Ca -0.00 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3ic2 h LYS 99 Cb 0.53 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ic2 h LYS 99 CO 0.03 1.00 0.01 -0.07 -0.57 0.00 0.00 179.45 179.86 3ic2 h LEU 100 N 0.26 0.17 -0.54 2.94 3.38 -1.10 -1.27 115.31 119.15 3ic2 h LEU 100 Ca -0.04 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ic2 h LEU 100 Cb 1.37 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3ic2 h LEU 100 CO 0.13 0.40 0.10 0.25 0.09 0.00 0.00 178.44 179.42 3ic2 h LEU 101 N -0.07 0.84 -0.32 1.67 5.85 -1.38 -1.68 115.31 120.22 3ic2 h LEU 101 Ca 0.03 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3ic2 h LEU 101 Cb 0.31 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3ic2 h LEU 101 CO 0.00 0.87 -0.04 0.28 -0.34 0.00 0.00 178.44 179.21 3ic2 h SER 102 N 0.77 -0.22 -0.87 1.25 0.02 -1.38 0.33 113.55 113.45 3ic2 h SER 102 Ca 0.16 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 3ic2 h SER 102 Cb 0.38 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3ic2 h SER 102 CO 0.01 -0.07 0.53 -0.74 -1.14 0.00 0.00 176.83 175.41 3ic2 h HIS 103 N 0.04 0.97 0.00 3.45 -0.00 -0.99 0.15 115.15 118.77 3ic2 h HIS 103 Ca 0.15 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3ic2 h HIS 103 Cb 0.22 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 3ic2 h HIS 103 CO -0.27 0.45 -0.40 0.00 -0.00 0.00 0.00 177.93 177.71 3ic2 h LEU 105 N 0.00 0.32 -0.15 0.00 3.38 0.12 -1.44 115.31 117.54 3ic2 h LEU 105 Ca -0.00 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.50 3ic2 h LEU 105 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ic2 h LEU 105 CO 0.05 0.73 0.07 -0.07 0.09 0.00 0.00 178.44 179.31 3ic2 h LEU 106 N -0.09 0.10 -0.54 1.67 3.38 -0.77 0.43 115.31 119.49 3ic2 h LEU 106 Ca 0.02 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ic2 h LEU 106 Cb 0.64 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3ic2 h LEU 106 CO 0.03 0.08 0.24 0.58 0.09 0.00 0.00 178.44 179.46 3ic2 h VAL 107 N 0.15 0.88 -0.17 1.22 2.07 -0.99 0.20 116.25 119.61 3ic2 h VAL 107 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3ic2 h VAL 107 Cb 0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3ic2 h VAL 107 CO -0.05 0.08 0.11 0.74 0.02 0.00 0.00 177.57 178.47 3ic2 h THR 108 N 0.46 1.03 -0.83 2.57 2.02 -0.67 -0.91 112.91 116.58 3ic2 h THR 108 Ca 0.25 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3ic2 h THR 108 Cb 0.23 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3ic2 h THR 108 CO -0.22 0.04 0.54 -0.07 0.37 0.00 0.00 175.52 176.18 3ic2 h LEU 109 N 0.22 0.96 -0.84 2.58 3.38 -0.30 -2.10 115.31 119.21 3ic2 h LEU 109 Ca 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ic2 h LEU 109 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3ic2 h LEU 109 CO -0.02 0.70 0.43 0.00 0.09 0.00 0.00 178.44 179.64 3ic2 h ALA 110 N 1.29 1.09 0.00 1.53 0.00 -0.17 0.20 119.26 123.20 3ic2 h ALA 110 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ic2 h ALA 110 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.34 3ic2 h ALA 110 CO -0.06 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3ic2 n ALA 111 N -2.41 1.89 -0.03 0.00 0.00 -0.38 -3.51 120.51 116.07 3ic2 n ALA 111 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ic2 n ALA 111 Cb 0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 3ic2 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic2 n HIS 112 N -1.80 0.00 -3.03 0.00 -0.00 -0.89 -4.83 115.22 104.66 3ic2 n HIS 112 Ca 0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.50 3ic2 n HIS 112 Cb 0.26 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 3ic2 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3ic2 n LEU 113 N -2.33 3.93 -0.18 2.41 4.77 0.65 -4.94 117.00 121.30 3ic2 n LEU 113 Ca -0.10 -5.57 -0.03 0.00 -0.03 0.00 0.00 56.01 50.28 3ic2 n LEU 113 Cb 0.67 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3ic2 n LEU 113 CO 0.11 2.31 0.71 1.55 -1.33 0.00 0.00 177.39 180.74 3ic2 h PRO 114 N 3.15 -0.06 -0.70 3.23 0.13 -1.76 -0.19 132.00 135.79 3ic2 h PRO 114 Ca 0.13 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 3ic2 h PRO 114 Cb 0.58 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 3ic2 h PRO 114 CO 0.78 -0.04 0.46 0.00 -0.23 0.00 0.00 178.00 178.97 3ic2 h ALA 115 N 1.37 1.57 0.00 -0.56 0.00 -1.92 -2.83 119.26 116.89 3ic2 h ALA 115 Ca 0.26 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 3ic2 h ALA 115 Cb 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ic2 h ALA 115 CO -0.60 0.37 -1.05 0.93 0.00 0.00 0.00 179.25 178.90 3ic2 h GLU 116 N 0.88 0.00 -3.75 0.00 4.39 -1.70 -3.39 114.58 111.01 3ic2 h GLU 116 Ca 0.27 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.30 3ic2 h GLU 116 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ic2 h GLU 116 CO -0.07 0.86 3.22 0.34 -1.16 0.00 0.00 179.01 182.20 3ic2 n PHE 117 N -3.28 2.97 -2.20 4.33 7.35 -0.18 -4.75 117.46 121.69 3ic2 n PHE 117 Ca -0.02 -2.85 -0.26 0.00 -0.76 0.00 0.00 57.45 53.56 3ic2 n PHE 117 Cb 0.93 -2.42 0.06 0.00 0.35 0.00 0.00 39.48 38.40 3ic2 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ic2 s THR 118 N 3.12 2.59 0.11 -2.13 -4.23 -1.26 -4.81 115.64 109.02 3ic2 s THR 118 Ca 0.54 -0.16 -0.34 0.00 -1.18 0.00 0.00 61.69 60.55 3ic2 s THR 118 Cb 0.15 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 3ic2 s THR 118 CO -0.06 -0.12 1.56 -0.65 -0.54 0.00 0.00 174.62 174.81 3ic2 h PRO 119 N -0.55 -0.72 -0.57 3.99 0.11 -1.98 0.10 132.00 132.38 3ic2 h PRO 119 Ca -0.45 0.05 0.11 0.00 0.11 0.00 0.00 66.00 65.83 3ic2 h PRO 119 Cb 1.30 0.16 -0.11 0.00 0.11 0.00 0.00 31.00 32.47 3ic2 h PRO 119 CO 0.61 -0.48 -0.11 0.00 -0.21 0.00 0.00 178.00 177.81 3ic2 h ALA 120 N -0.48 0.41 -0.65 -0.75 0.00 -1.96 0.13 119.26 115.97 3ic2 h ALA 120 Ca -0.00 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3ic2 h ALA 120 Cb 0.75 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3ic2 h ALA 120 CO -0.28 -0.43 0.11 0.28 0.00 0.00 0.00 179.25 178.94 3ic2 h VAL 121 N 0.02 1.26 -0.40 0.00 2.07 -1.79 -0.65 116.25 116.76 3ic2 h VAL 121 Ca 0.28 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3ic2 h VAL 121 Cb 0.43 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3ic2 h VAL 121 CO -0.56 0.38 0.11 -0.74 0.02 0.00 0.00 177.57 176.77 3ic2 h HIS 122 N 0.99 0.18 -0.63 1.57 6.17 0.32 0.40 115.15 124.15 3ic2 h HIS 122 Ca 0.20 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.31 3ic2 h HIS 122 Cb 0.43 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.31 3ic2 h HIS 122 CO 0.03 0.05 0.42 0.00 0.71 0.00 0.00 177.93 179.13 3ic2 h ALA 123 N 1.29 0.80 -0.21 5.26 0.00 -0.27 -1.84 119.26 124.30 3ic2 h ALA 123 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ic2 h ALA 123 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ic2 h ALA 123 CO -0.23 0.22 -0.16 0.77 0.00 0.00 0.00 179.25 179.86 3ic2 h SER 124 N 0.85 0.50 -0.68 0.00 0.02 -0.27 -2.68 113.55 111.29 3ic2 h SER 124 Ca 0.23 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3ic2 h SER 124 Cb -0.09 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 3ic2 h SER 124 CO -0.05 0.84 0.43 -0.07 -1.14 0.00 0.00 176.83 176.83 3ic2 h LEU 125 N 0.16 0.70 -0.62 5.07 3.38 -0.08 -0.55 115.31 123.36 3ic2 h LEU 125 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3ic2 h LEU 125 Cb 0.68 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3ic2 h LEU 125 CO 0.04 0.48 0.38 -0.78 0.09 0.00 0.00 178.44 178.65 3ic2 h ASP 126 N 0.83 0.61 -0.37 -0.43 3.58 -1.29 -0.19 116.42 119.16 3ic2 h ASP 126 Ca 0.27 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 3ic2 h ASP 126 Cb 0.02 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3ic2 h ASP 126 CO -0.11 0.43 -0.16 0.11 -2.88 0.00 0.00 179.24 176.63 3ic2 h LYS 127 N 0.74 0.84 -0.33 0.28 1.57 -1.09 -1.61 116.57 116.97 3ic2 h LYS 127 Ca 0.25 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ic2 h LYS 127 Cb 0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3ic2 h LYS 127 CO -0.11 0.94 0.17 0.35 -0.57 0.00 0.00 179.45 180.23 3ic2 h PHE 128 N 0.74 0.47 -0.04 -1.35 3.57 -0.55 -0.13 116.94 119.65 3ic2 h PHE 128 Ca 0.11 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3ic2 h PHE 128 Cb 0.67 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3ic2 h PHE 128 CO 0.04 0.40 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.16 3ic2 h LEU 129 N 0.40 0.08 -0.46 0.59 3.38 -0.90 -0.73 115.31 117.67 3ic2 h LEU 129 Ca 0.11 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 3ic2 h LEU 129 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ic2 h LEU 129 CO -0.02 0.37 -0.74 0.00 0.09 0.00 0.00 178.44 178.14 3ic2 h ALA 130 N 1.64 0.68 -0.11 1.53 0.00 -0.90 0.58 119.26 122.67 3ic2 h ALA 130 Ca 0.01 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 3ic2 h ALA 130 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ic2 h ALA 130 CO 0.04 0.83 -0.69 0.66 0.00 0.00 0.00 179.25 180.08 3ic2 h SER 131 N 0.14 0.81 -0.56 0.00 4.64 -0.56 -0.50 113.55 117.52 3ic2 h SER 131 Ca -0.03 -0.65 -0.01 0.00 -0.47 0.00 0.00 61.79 60.63 3ic2 h SER 131 Cb 1.31 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3ic2 h SER 131 CO 0.11 1.33 0.31 0.58 -0.87 0.00 0.00 176.83 178.30 3ic2 h VAL 132 N 0.34 1.18 -0.83 0.95 2.07 -1.08 -1.75 116.25 117.14 3ic2 h VAL 132 Ca -0.05 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3ic2 h VAL 132 Cb 1.34 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3ic2 h VAL 132 CO 0.14 0.20 0.43 0.28 0.02 0.00 0.00 177.57 178.64 3ic2 h SER 133 N 0.76 1.06 0.19 0.57 0.02 -0.80 -0.91 113.55 114.43 3ic2 h SER 133 Ca 0.20 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3ic2 h SER 133 Cb 0.04 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3ic2 h SER 133 CO -0.03 0.87 -0.26 0.74 -1.14 0.00 0.00 176.83 177.02 3ic2 h THR 134 N 1.16 0.45 -0.13 -2.27 2.02 -0.53 -1.64 112.91 111.97 3ic2 h THR 134 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.51 3ic2 h THR 134 Cb 0.07 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3ic2 h THR 134 CO -0.04 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.25 3ic2 h VAL 135 N -0.50 0.55 0.00 3.16 2.07 -0.97 -1.95 116.25 118.61 3ic2 h VAL 135 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3ic2 h VAL 135 Cb 0.49 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3ic2 h VAL 135 CO -0.10 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.42 3ic2 h LEU 136 N -0.22 0.00 -2.16 2.57 3.38 -0.98 -2.47 115.31 115.43 3ic2 h LEU 136 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ic2 h LEU 136 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ic2 h LEU 136 CO -0.26 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.62 3ic2 n THR 137 N -2.77 0.43 -4.23 0.22 -2.24 -0.63 -2.75 114.28 102.32 3ic2 n THR 137 Ca -0.01 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.70 3ic2 n THR 137 Cb 0.14 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 3ic2 n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ic2 s SER 138 N -1.23 5.55 -0.54 3.42 0.01 -0.79 -4.83 113.70 115.30 3ic2 s SER 138 Ca 0.26 0.22 -0.17 0.00 1.31 0.00 0.00 55.95 57.58 3ic2 s SER 138 Cb 0.16 -1.66 0.11 0.00 0.21 0.00 0.00 66.02 64.84 3ic2 s SER 138 CO 0.22 0.37 0.53 -0.54 0.41 0.00 0.00 173.24 174.24 3ic2 s LYS 139 N -0.85 3.00 -0.11 12.44 1.02 -1.26 -4.82 119.74 129.16 3ic2 s LYS 139 Ca 0.13 -1.54 0.17 0.00 0.02 0.00 0.00 55.97 54.75 3ic2 s LYS 139 Cb -0.12 -4.26 0.26 0.00 -0.52 0.00 0.00 37.83 33.19 3ic2 s LYS 139 CO 0.03 -1.32 1.13 2.48 -0.92 0.00 0.00 175.35 176.75 3ic2 n TYR 140 N 5.50 0.00 1.72 3.18 0.18 -1.26 -5.18 117.16 121.31 3ic2 n TYR 140 Ca -0.13 -0.88 0.15 0.00 1.88 0.00 0.00 57.90 58.92 3ic2 n TYR 140 Cb 0.41 -0.14 0.72 0.00 -0.38 0.00 0.00 39.34 39.95 3ic2 n TYR 140 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65