#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia2 s LEU 2 N 0.00 4.28 -0.96 -0.89 2.96 -1.26 -4.29 118.68 118.52 1ia2 s LEU 2 Ca 0.00 0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 54.57 1ia2 s LEU 2 Cb 0.00 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.98 1ia2 s LEU 2 CO 0.00 -0.01 0.37 0.29 -1.32 0.00 0.00 176.35 175.68 1ia2 n LYS 3 N 3.66 -0.56 -1.37 1.98 4.76 -1.26 -4.93 118.16 120.44 1ia2 n LYS 3 Ca -0.07 -0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 1ia2 n LYS 3 Cb 0.52 -1.82 0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1ia2 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ia2 s PRO 4 N -6.69 2.22 0.26 1.97 0.04 -1.26 -5.01 135.00 126.54 1ia2 s PRO 4 Ca 0.27 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1ia2 s PRO 4 Cb -0.15 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1ia2 s PRO 4 CO 0.72 -1.70 1.03 -0.80 0.04 0.00 0.00 177.00 176.30 1ia2 s ASN 5 N -2.78 7.42 0.16 6.66 0.01 -1.26 -4.86 114.94 120.29 1ia2 s ASN 5 Ca 0.66 2.14 0.11 0.00 -0.71 0.00 0.00 52.86 55.06 1ia2 s ASN 5 Cb -0.21 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.79 1ia2 s ASN 5 CO 0.50 -0.02 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.12 1ia2 s VAL 6 N -1.17 2.34 0.04 1.60 1.01 0.27 -4.38 120.40 120.11 1ia2 s VAL 6 Ca 0.43 -1.88 0.07 0.00 0.00 0.00 0.00 61.98 60.61 1ia2 s VAL 6 Cb -0.30 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1ia2 s VAL 6 CO 0.37 -0.01 -0.21 0.00 0.00 0.00 0.00 175.10 175.25 1ia2 s ALA 7 N -1.36 1.79 -0.09 5.51 0.00 -0.03 -1.35 121.76 126.23 1ia2 s ALA 7 Ca 0.17 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1ia2 s ALA 7 Cb -0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1ia2 s ALA 7 CO 0.08 0.40 0.27 0.42 0.00 0.00 0.00 175.76 176.93 1ia2 s ILE 8 N -0.79 5.29 -0.08 0.00 1.01 -0.50 -0.14 121.20 125.98 1ia2 s ILE 8 Ca 0.08 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1ia2 s ILE 8 Cb -0.09 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1ia2 s ILE 8 CO 0.02 0.55 -0.12 -0.51 0.00 0.00 0.00 174.94 174.88 1ia2 s ILE 9 N -0.71 1.16 0.11 2.92 2.07 -0.63 -0.24 121.20 125.89 1ia2 s ILE 9 Ca 0.18 -0.46 -0.15 0.00 -1.41 0.00 0.00 60.65 58.82 1ia2 s ILE 9 Cb -0.14 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.39 1ia2 s ILE 9 CO 0.07 0.37 0.36 0.54 -1.91 0.00 0.00 174.94 174.37 1ia2 s VAL 10 N 0.94 0.08 -0.14 4.00 0.11 -0.66 -4.58 120.40 120.15 1ia2 s VAL 10 Ca -0.09 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1ia2 s VAL 10 Cb -0.15 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1ia2 s VAL 10 CO 0.00 -0.38 -0.19 0.00 -3.33 0.00 0.00 175.10 171.20 1ia2 s ALA 11 N -3.66 2.35 0.02 1.54 0.00 -1.26 -0.44 121.76 120.30 1ia2 s ALA 11 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1ia2 s ALA 11 Cb 0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1ia2 s ALA 11 CO -0.11 0.02 -0.04 0.00 0.00 0.00 0.00 175.76 175.63 1ia2 s ALA 12 N 0.74 0.29 -0.24 0.00 0.00 -0.35 -4.71 121.76 117.48 1ia2 s ALA 12 Ca -0.08 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1ia2 s ALA 12 Cb -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1ia2 s ALA 12 CO 0.00 -0.02 0.74 -1.17 0.00 0.00 0.00 175.76 175.32 1ia2 s LEU 13 N -0.82 4.08 0.54 0.00 2.96 -0.57 -0.29 118.68 124.58 1ia2 s LEU 13 Ca -0.06 0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 54.60 1ia2 s LEU 13 Cb -0.06 -3.05 -0.07 0.00 0.50 0.00 0.00 46.19 43.52 1ia2 s LEU 13 CO -0.00 -0.44 1.00 -0.54 -1.32 0.00 0.00 176.35 175.05 1ia2 s LYS 14 N 2.63 3.82 0.27 1.98 1.02 0.09 0.13 119.74 129.68 1ia2 s LYS 14 Ca 0.31 0.96 0.23 0.00 0.02 0.00 0.00 55.97 57.49 1ia2 s LYS 14 Cb -0.15 -2.11 0.21 0.00 -0.52 0.00 0.00 37.83 35.25 1ia2 s LYS 14 CO 0.08 -0.38 1.32 -1.00 -0.92 0.00 0.00 175.35 174.45 1ia2 h PRO 15 N 0.69 0.00 0.00 -1.68 0.13 -1.97 -3.44 132.00 125.72 1ia2 h PRO 15 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1ia2 h PRO 15 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ia2 h PRO 15 CO 0.61 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 178.11 1ia2 h ALA 16 N 2.10 0.97 -2.99 -0.56 0.00 -1.99 -3.47 119.26 113.32 1ia2 h ALA 16 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1ia2 h ALA 16 Cb 0.95 -0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.75 1ia2 h ALA 16 CO 0.00 0.33 -0.26 1.28 0.00 0.00 0.00 179.25 180.61 1ia2 n LEU 17 N -3.38 -2.60 -4.75 0.00 4.77 0.12 -4.59 117.00 106.56 1ia2 n LEU 17 Ca 0.00 -0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 1ia2 n LEU 17 Cb 0.48 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1ia2 n LEU 17 CO 0.35 0.19 0.81 -0.83 -1.33 0.00 0.00 177.39 176.58 1ia2 s GLY 18 N -3.29 2.99 0.00 -0.72 0.00 -1.05 -1.23 107.32 104.03 1ia2 s GLY 18 Ca 0.11 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1ia2 s GLY 18 CO 0.26 1.58 0.11 0.29 0.00 0.00 0.00 173.10 175.34 1ia2 n ILE 19 N 1.46 0.00 -3.81 0.90 -5.35 0.18 -1.52 119.36 111.22 1ia2 n ILE 19 Ca -0.00 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.13 1ia2 n ILE 19 Cb 0.45 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1ia2 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ia2 s GLY 20 N -0.41 -0.03 -0.30 3.28 0.00 -1.16 -4.60 107.32 104.10 1ia2 s GLY 20 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 1ia2 s GLY 20 CO 0.00 0.87 0.67 -0.47 0.00 0.00 0.00 173.10 174.17 1ia2 s TYR 21 N -2.78 -1.35 -1.39 1.90 6.14 0.21 -1.37 117.35 118.71 1ia2 s TYR 21 Ca 0.16 2.01 -0.02 0.00 0.64 0.00 0.00 57.07 59.86 1ia2 s TYR 21 Cb -0.02 0.69 0.00 0.00 0.42 0.00 0.00 41.96 43.05 1ia2 s TYR 21 CO 0.05 -0.70 0.43 0.36 0.64 0.00 0.00 175.55 176.33 1ia2 n LYS 22 N 5.41 -2.95 -0.93 4.97 2.85 -1.26 -1.77 118.16 124.49 1ia2 n LYS 22 Ca -0.08 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1ia2 n LYS 22 Cb 0.50 -4.40 0.00 0.00 -0.65 0.00 0.00 35.03 30.48 1ia2 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ia2 n GLY 23 N -1.99 0.60 3.35 2.58 0.00 -1.26 -5.01 105.19 103.46 1ia2 n GLY 23 Ca -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1ia2 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ia2 s LYS 24 N -0.34 1.36 0.15 1.61 0.00 -0.73 -5.07 119.74 116.72 1ia2 s LYS 24 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 55.97 53.99 1ia2 s LYS 24 Cb 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 37.83 36.97 1ia2 s LYS 24 CO 0.00 -0.03 0.98 -1.64 0.00 0.00 0.00 175.35 174.66 1ia2 s MET 25 N -3.80 4.71 -0.01 1.78 -1.94 -1.26 -0.62 119.30 118.16 1ia2 s MET 25 Ca 0.27 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.76 1ia2 s MET 25 Cb 0.04 -3.34 0.02 0.00 2.01 0.00 0.00 34.83 33.57 1ia2 s MET 25 CO 0.09 0.25 0.63 -0.35 -0.01 0.00 0.00 175.02 175.62 1ia2 n PRO 26 N 2.48 1.11 -3.72 2.03 -0.04 -1.26 -4.82 135.00 130.77 1ia2 n PRO 26 Ca 0.02 -0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 1ia2 n PRO 26 Cb 0.48 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1ia2 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1ia2 s TRP 27 N -1.23 -0.15 -0.26 0.54 -2.14 -1.26 -5.02 118.94 109.43 1ia2 s TRP 27 Ca 0.02 -0.19 -0.03 0.00 2.66 0.00 0.00 56.10 58.55 1ia2 s TRP 27 Cb 0.01 0.40 0.09 0.00 -3.10 0.00 0.00 33.47 30.87 1ia2 s TRP 27 CO 0.01 -0.91 0.10 0.50 -2.66 0.00 0.00 176.95 173.98 1ia2 s ARG 28 N -3.86 0.39 -0.38 3.25 3.52 -1.26 -5.08 118.95 115.52 1ia2 s ARG 28 Ca 0.09 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 1ia2 s ARG 28 Cb -0.01 -1.66 0.11 0.00 -1.56 0.00 0.00 34.95 31.83 1ia2 s ARG 28 CO -0.03 -0.88 0.12 -0.51 -0.81 0.00 0.00 175.30 173.19 1ia2 s LEU 29 N 1.94 4.94 0.17 -0.88 1.43 -1.26 -5.00 118.68 120.03 1ia2 s LEU 29 Ca 0.06 -2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 50.87 1ia2 s LEU 29 Cb -0.17 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.42 1ia2 s LEU 29 CO -0.24 -0.43 1.78 0.03 0.23 0.00 0.00 176.35 177.72 1ia2 h ARG 30 N 7.71 0.81 -0.41 1.70 3.08 -1.99 -2.41 114.38 122.87 1ia2 h ARG 30 Ca -0.07 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1ia2 h ARG 30 Cb 1.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1ia2 h ARG 30 CO 0.60 0.62 -0.08 0.87 -1.07 0.00 0.00 179.97 180.91 1ia2 h LYS 31 N 0.79 0.70 -0.57 0.04 1.57 -2.00 -2.67 116.57 114.43 1ia2 h LYS 31 Ca 0.20 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ia2 h LYS 31 Cb 0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1ia2 h LYS 31 CO -0.03 0.77 0.29 1.49 -0.57 0.00 0.00 179.45 181.40 1ia2 h GLU 32 N 0.65 0.82 -0.65 3.15 4.22 -1.95 -1.51 114.58 119.31 1ia2 h GLU 32 Ca 0.12 -0.11 0.02 0.00 0.08 0.00 0.00 59.36 59.47 1ia2 h GLU 32 Cb 0.52 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1ia2 h GLU 32 CO 0.03 0.65 0.41 0.82 -2.18 0.00 0.00 179.01 178.74 1ia2 h ILE 33 N 0.78 1.11 -0.88 2.32 2.04 -1.33 -0.75 117.51 120.80 1ia2 h ILE 33 Ca 0.20 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1ia2 h ILE 33 Cb 0.09 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1ia2 h ILE 33 CO -0.03 0.15 0.58 -0.09 0.00 0.00 0.00 178.15 178.76 1ia2 h ARG 34 N 0.82 1.17 -0.03 2.37 2.43 -1.09 -1.59 114.38 118.46 1ia2 h ARG 34 Ca 0.25 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ia2 h ARG 34 Cb -0.02 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1ia2 h ARG 34 CO -0.08 0.78 0.01 -0.92 -1.51 0.00 0.00 179.97 178.24 1ia2 h TYR 35 N 1.20 0.06 -0.16 2.20 5.03 -0.83 -1.71 116.97 122.76 1ia2 h TYR 35 Ca 0.32 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.68 1ia2 h TYR 35 Cb -0.13 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.07 1ia2 h TYR 35 CO 0.00 0.27 -0.32 0.35 -1.32 0.00 0.00 178.16 177.15 1ia2 h PHE 36 N -0.17 -0.87 -0.35 -3.82 3.04 -0.91 0.01 116.94 113.87 1ia2 h PHE 36 Ca 0.01 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.07 1ia2 h PHE 36 Cb 0.24 0.41 -0.07 0.00 2.56 0.00 0.00 35.95 39.10 1ia2 h PHE 36 CO 0.01 -0.39 -0.08 -0.22 -2.02 0.00 0.00 178.31 175.61 1ia2 h LYS 37 N -0.37 0.01 -0.26 1.11 3.64 -1.13 -1.52 116.57 118.05 1ia2 h LYS 37 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ia2 h LYS 37 Cb 0.54 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ia2 h LYS 37 CO -0.37 0.01 0.11 -0.44 -2.27 0.00 0.00 179.45 176.49 1ia2 h ASP 38 N 0.01 0.35 -0.39 4.20 3.45 -0.99 -1.93 116.42 121.13 1ia2 h ASP 38 Ca 0.17 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 1ia2 h ASP 38 Cb 0.25 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1ia2 h ASP 38 CO -0.35 0.41 0.03 0.58 -1.57 0.00 0.00 179.24 178.34 1ia2 h VAL 39 N 0.28 1.25 0.00 -1.35 2.07 -0.87 -1.42 116.25 116.21 1ia2 h VAL 39 Ca 0.09 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1ia2 h VAL 39 Cb 0.16 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1ia2 h VAL 39 CO -0.01 0.32 -0.18 0.71 0.02 0.00 0.00 177.57 178.43 1ia2 h THR 40 N 0.51 0.60 0.04 2.57 1.35 -1.30 -3.33 112.91 113.34 1ia2 h THR 40 Ca 0.12 -0.81 -0.38 0.00 -0.55 0.00 0.00 66.41 64.78 1ia2 h THR 40 Cb 0.42 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.31 1ia2 h THR 40 CO 0.01 0.17 -2.33 0.35 -0.25 0.00 0.00 175.52 173.48 1ia2 n THR 41 N -3.56 1.58 -2.16 6.82 -2.24 -0.73 -4.61 114.28 109.38 1ia2 n THR 41 Ca -0.01 -0.58 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 1ia2 n THR 41 Cb 0.32 -1.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.00 1ia2 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ia2 s ARG 42 N -2.53 4.06 0.17 -0.78 1.81 -0.55 -4.63 118.95 116.50 1ia2 s ARG 42 Ca -0.31 2.03 0.03 0.00 -1.72 0.00 0.00 55.73 55.76 1ia2 s ARG 42 Cb 0.08 -2.77 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 1ia2 s ARG 42 CO 0.64 -0.37 -0.04 0.95 -0.68 0.00 0.00 175.30 175.80 1ia2 s THR 43 N -1.30 0.94 -0.06 0.02 -4.23 -1.26 -4.91 115.64 104.83 1ia2 s THR 43 Ca 0.56 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1ia2 s THR 43 Cb -0.35 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 1ia2 s THR 43 CO 0.45 -0.59 0.04 0.35 -0.54 0.00 0.00 174.62 174.34 1ia2 n THR 44 N -0.24 0.44 -2.31 3.99 -2.24 -1.26 -5.03 114.28 107.63 1ia2 n THR 44 Ca -0.08 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.12 1ia2 n THR 44 Cb 0.62 -0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1ia2 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ia2 s LYS 45 N -2.23 3.22 -0.00 -0.78 3.01 -1.26 -5.07 119.74 116.63 1ia2 s LYS 45 Ca -0.04 0.26 -0.08 0.00 -1.01 0.00 0.00 55.97 55.10 1ia2 s LYS 45 Cb 0.03 -2.24 -0.05 0.00 -1.01 0.00 0.00 37.83 34.56 1ia2 s LYS 45 CO 0.30 -0.57 0.71 -1.00 0.51 0.00 0.00 175.35 175.30 1ia2 h PRO 46 N -0.14 -0.28 -1.11 -1.68 0.13 -2.02 -3.37 132.00 123.53 1ia2 h PRO 46 Ca -0.46 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 1ia2 h PRO 46 Cb 1.23 0.06 -0.31 0.00 0.13 0.00 0.00 31.00 32.11 1ia2 h PRO 46 CO 0.62 -0.19 0.57 0.09 -0.23 0.00 0.00 178.00 178.86 1ia2 n ASN 47 N -3.21 7.14 -4.62 1.44 3.02 -1.26 -4.96 115.26 112.80 1ia2 n ASN 47 Ca -0.04 -3.79 -0.25 0.00 -0.03 0.00 0.00 54.58 50.47 1ia2 n ASN 47 Cb 0.12 -0.87 -0.09 0.00 -0.61 0.00 0.00 39.78 38.33 1ia2 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ia2 s THR 48 N -4.85 2.46 0.24 3.41 -4.23 -1.26 -4.94 115.64 106.48 1ia2 s THR 48 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1ia2 s THR 48 Cb 0.48 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1ia2 s THR 48 CO -0.06 -0.17 0.20 0.00 -0.54 0.00 0.00 174.62 174.05 1ia2 s ARG 49 N -3.71 1.39 0.35 3.99 1.70 -1.13 -4.92 118.95 116.61 1ia2 s ARG 49 Ca 0.35 -1.70 0.07 0.00 -0.47 0.00 0.00 55.73 53.98 1ia2 s ARG 49 Cb 0.02 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1ia2 s ARG 49 CO 0.19 -0.49 0.31 -0.80 -1.08 0.00 0.00 175.30 173.43 1ia2 s ASN 50 N -3.21 5.26 0.03 -2.89 0.01 -1.26 0.08 114.94 112.96 1ia2 s ASN 50 Ca 0.38 -0.53 0.09 0.00 -0.71 0.00 0.00 52.86 52.09 1ia2 s ASN 50 Cb 0.05 -0.92 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 1ia2 s ASN 50 CO 0.16 -0.40 -0.26 0.00 -1.51 0.00 0.00 177.10 175.09 1ia2 s ALA 51 N -2.33 2.20 -0.06 0.60 0.00 -0.38 -0.80 121.76 120.99 1ia2 s ALA 51 Ca 0.42 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1ia2 s ALA 51 Cb -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ia2 s ALA 51 CO 0.27 0.52 -0.21 0.14 0.00 0.00 0.00 175.76 176.48 1ia2 s VAL 52 N -0.75 2.39 -0.05 0.00 -7.23 0.97 -0.74 120.40 114.98 1ia2 s VAL 52 Ca 0.11 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1ia2 s VAL 52 Cb -0.10 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1ia2 s VAL 52 CO 0.01 0.57 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.52 1ia2 s ILE 53 N -0.27 2.36 0.09 -0.62 1.01 0.11 -0.35 121.20 123.52 1ia2 s ILE 53 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 1ia2 s ILE 53 Cb -0.13 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ia2 s ILE 53 CO 0.03 0.57 0.07 0.00 0.00 0.00 0.00 174.94 175.61 1ia2 s MET 54 N -0.34 0.79 0.49 2.79 0.23 -0.41 0.48 119.30 123.33 1ia2 s MET 54 Ca 0.02 -1.20 -0.10 0.00 -1.03 0.00 0.00 55.69 53.39 1ia2 s MET 54 Cb -0.12 0.27 -0.05 0.00 -1.53 0.00 0.00 34.83 33.39 1ia2 s MET 54 CO 0.02 -0.21 0.86 0.20 -2.03 0.00 0.00 175.02 173.86 1ia2 s GLY 55 N -2.94 1.75 0.29 3.16 0.00 -0.40 -1.20 107.32 107.98 1ia2 s GLY 55 Ca 0.11 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1ia2 s GLY 55 CO -0.07 -0.03 1.82 -0.09 0.00 0.00 0.00 173.10 174.73 1ia2 h ARG 56 N 0.53 0.89 -0.63 2.90 2.43 -1.73 -2.05 114.38 116.71 1ia2 h ARG 56 Ca -0.46 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.59 1ia2 h ARG 56 Cb 1.19 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1ia2 h ARG 56 CO 0.62 0.59 0.12 0.87 -1.51 0.00 0.00 179.97 180.67 1ia2 h LYS 57 N 0.91 1.01 -0.26 0.20 1.57 -1.93 -0.67 116.57 117.41 1ia2 h LYS 57 Ca 0.52 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1ia2 h LYS 57 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1ia2 h LYS 57 CO -0.30 0.92 -0.07 1.15 -0.57 0.00 0.00 179.45 180.58 1ia2 h THR 58 N 0.96 1.28 -0.20 -0.16 2.02 -1.74 -2.30 112.91 112.77 1ia2 h THR 58 Ca 0.20 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.35 1ia2 h THR 58 Cb 0.38 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1ia2 h THR 58 CO 0.01 0.34 -0.17 -0.25 0.37 0.00 0.00 175.52 175.81 1ia2 h TRP 59 N 0.25 -0.44 -0.06 3.16 2.91 -1.17 -0.67 115.95 119.93 1ia2 h TRP 59 Ca 0.07 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.13 1ia2 h TRP 59 Cb 0.54 0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1ia2 h TRP 59 CO 0.05 -0.24 0.08 0.93 -1.03 0.00 0.00 178.44 178.22 1ia2 h GLU 60 N -0.18 0.00 0.00 2.65 5.08 -1.04 -1.80 114.58 119.29 1ia2 h GLU 60 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ia2 h GLU 60 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ia2 h GLU 60 CO -0.31 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.13 1ia2 n SER 61 N -3.77 0.14 -4.76 1.42 7.64 -0.27 -4.73 113.62 109.29 1ia2 n SER 61 Ca -0.01 0.52 -0.39 0.00 1.01 0.00 0.00 58.87 59.99 1ia2 n SER 61 Cb 0.17 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1ia2 n SER 61 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ia2 s ILE 62 N -3.02 4.92 0.28 0.44 1.01 -0.68 -4.99 121.20 119.16 1ia2 s ILE 62 Ca 0.12 1.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 1ia2 s ILE 62 Cb 0.17 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 1ia2 s ILE 62 CO 0.50 0.42 1.54 -2.65 0.00 0.00 0.00 174.94 174.76 1ia2 n PRO 63 N 2.72 2.51 -0.25 2.79 -0.02 -1.26 -4.82 135.00 136.66 1ia2 n PRO 63 Ca -0.07 0.89 0.31 0.00 -2.02 0.00 0.00 63.50 62.61 1ia2 n PRO 63 Cb 0.51 -2.64 0.71 0.00 -0.02 0.00 0.00 33.50 32.07 1ia2 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia2 h GLN 64 N 4.62 0.04 0.00 -0.52 3.07 -1.93 0.15 115.11 120.54 1ia2 h GLN 64 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1ia2 h GLN 64 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1ia2 h GLN 64 CO 0.78 0.03 0.00 0.87 0.09 0.00 0.00 178.83 180.60 1ia2 h LYS 65 N 0.04 0.00 -0.54 0.06 6.56 -2.02 -3.23 116.57 117.44 1ia2 h LYS 65 Ca 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1ia2 h LYS 65 Cb 1.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.57 1ia2 h LYS 65 CO -0.03 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.55 1ia2 n PHE 66 N -3.01 0.72 -4.85 -1.35 3.72 0.53 -4.93 117.46 108.28 1ia2 n PHE 66 Ca 0.02 -0.48 -0.27 0.00 -0.05 0.00 0.00 57.45 56.67 1ia2 n PHE 66 Cb 0.41 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.79 1ia2 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia2 s ARG 67 N -1.02 1.60 0.68 -1.08 1.70 -1.20 -4.12 118.95 115.51 1ia2 s ARG 67 Ca 0.37 -0.91 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 1ia2 s ARG 67 Cb 0.19 -1.67 -0.00 0.00 -0.57 0.00 0.00 34.95 32.90 1ia2 s ARG 67 CO 0.25 0.44 1.06 -1.25 -1.08 0.00 0.00 175.30 174.72 1ia2 s PRO 68 N -0.94 3.08 0.19 3.89 0.04 -1.26 -4.98 135.00 135.02 1ia2 s PRO 68 Ca 0.09 0.80 -0.32 0.00 0.04 0.00 0.00 61.00 61.61 1ia2 s PRO 68 Cb -0.09 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1ia2 s PRO 68 CO 0.01 -0.95 1.74 1.28 0.04 0.00 0.00 177.00 179.12 1ia2 n LEU 69 N -3.01 3.99 -4.76 -3.56 4.77 -1.26 -4.90 117.00 108.27 1ia2 n LEU 69 Ca 0.07 1.05 -0.35 0.00 -0.03 0.00 0.00 56.01 56.75 1ia2 n LEU 69 Cb 0.54 -1.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1ia2 n LEU 69 CO 0.57 0.17 0.79 -2.16 -1.33 0.00 0.00 177.39 175.44 1ia2 s PRO 70 N 1.45 3.03 -0.54 3.23 0.04 -1.26 -3.73 135.00 137.23 1ia2 s PRO 70 Ca 0.76 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1ia2 s PRO 70 Cb -0.50 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1ia2 s PRO 70 CO 0.33 -1.12 0.00 -0.25 0.04 0.00 0.00 177.00 176.01 1ia2 n ASP 71 N -1.72 -4.79 -3.96 6.66 8.00 -1.26 -4.97 116.55 114.52 1ia2 n ASP 71 Ca 0.12 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 1ia2 n ASP 71 Cb 0.51 -2.73 -0.12 0.00 -0.02 0.00 0.00 41.12 38.75 1ia2 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ia2 s ARG 72 N -1.97 0.25 -0.02 -1.24 0.52 -1.24 -4.57 118.95 110.68 1ia2 s ARG 72 Ca 0.00 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 1ia2 s ARG 72 Cb 0.00 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 1ia2 s ARG 72 CO 0.00 -0.02 1.16 -1.17 0.02 0.00 0.00 175.30 175.29 1ia2 s LEU 73 N -1.02 4.32 -0.18 2.53 2.96 0.02 -4.82 118.68 122.49 1ia2 s LEU 73 Ca -0.10 1.83 -0.09 0.00 -0.22 0.00 0.00 54.13 55.55 1ia2 s LEU 73 Cb -0.07 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1ia2 s LEU 73 CO -0.01 -0.50 0.11 0.20 -1.32 0.00 0.00 176.35 174.84 1ia2 s ASN 74 N 1.26 6.05 -0.09 3.68 0.02 -0.33 -0.02 114.94 125.51 1ia2 s ASN 74 Ca 0.56 0.22 0.04 0.00 -1.02 0.00 0.00 52.86 52.66 1ia2 s ASN 74 Cb -0.25 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 38.99 1ia2 s ASN 74 CO 0.25 0.22 -0.21 -0.63 0.02 0.00 0.00 177.10 176.75 1ia2 s ILE 75 N 0.11 1.80 -0.18 0.60 1.01 0.53 -1.19 121.20 123.88 1ia2 s ILE 75 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ia2 s ILE 75 Cb -0.12 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1ia2 s ILE 75 CO -0.00 0.50 -0.18 -0.63 0.00 0.00 0.00 174.94 174.63 1ia2 s ILE 76 N 0.40 2.31 -0.03 2.92 1.09 -0.03 -1.29 121.20 126.56 1ia2 s ILE 76 Ca -0.17 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.49 1ia2 s ILE 76 Cb -0.17 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.21 1ia2 s ILE 76 CO 0.07 0.52 0.15 -0.76 -0.10 0.00 0.00 174.94 174.83 1ia2 s LEU 77 N 1.21 4.26 -0.24 2.97 1.43 -0.34 -2.49 118.68 125.48 1ia2 s LEU 77 Ca 0.03 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 1ia2 s LEU 77 Cb -0.14 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.69 1ia2 s LEU 77 CO -0.09 0.29 0.64 -0.55 0.23 0.00 0.00 176.35 176.86 1ia2 s SER 78 N -1.75 -0.68 0.53 2.29 0.15 -0.94 -1.86 113.70 111.43 1ia2 s SER 78 Ca 0.24 1.29 0.35 0.00 0.70 0.00 0.00 55.95 58.53 1ia2 s SER 78 Cb -0.12 1.29 1.72 0.00 -1.71 0.00 0.00 66.02 67.20 1ia2 s SER 78 CO 0.15 -0.22 2.06 0.03 1.20 0.00 0.00 173.24 176.46 1ia2 h ARG 79 N 5.32 0.00 -0.01 5.44 3.08 -1.85 -2.51 114.38 123.85 1ia2 h ARG 79 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1ia2 h ARG 79 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1ia2 h ARG 79 CO 0.11 0.00 -0.23 -1.13 -1.07 0.00 0.00 179.97 177.65 1ia2 n SER 80 N -2.86 0.84 -4.86 7.04 3.41 -1.26 -4.96 113.62 110.98 1ia2 n SER 80 Ca -0.01 -0.75 -0.33 0.00 -0.26 0.00 0.00 58.87 57.52 1ia2 n SER 80 Cb 0.16 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1ia2 n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ia2 s TYR 81 N -2.53 3.50 0.43 7.33 2.02 -0.94 -5.09 117.35 122.06 1ia2 s TYR 81 Ca 0.24 0.93 -0.12 0.00 -0.37 0.00 0.00 57.07 57.76 1ia2 s TYR 81 Cb 0.19 -2.29 -0.07 0.00 -0.40 0.00 0.00 41.96 39.40 1ia2 s TYR 81 CO 0.52 0.34 0.82 -1.21 -1.57 0.00 0.00 175.55 174.45 1ia2 s GLU 82 N -2.46 3.81 -0.37 -0.62 0.41 -1.26 -3.89 118.70 114.33 1ia2 s GLU 82 Ca 0.43 0.58 -0.29 0.00 -0.41 0.00 0.00 54.97 55.28 1ia2 s GLU 82 Cb -0.13 -2.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1ia2 s GLU 82 CO 0.20 -0.10 1.37 -0.80 -0.49 0.00 0.00 175.26 175.45 1ia2 s ASN 83 N -3.16 6.47 -0.17 -0.19 0.01 -1.26 -3.94 114.94 112.70 1ia2 s ASN 83 Ca 0.53 0.98 -0.16 0.00 -0.71 0.00 0.00 52.86 53.50 1ia2 s ASN 83 Cb -0.10 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.06 1ia2 s ASN 83 CO 0.32 -1.29 0.47 -0.70 -1.51 0.00 0.00 177.10 174.38 1ia2 s GLU 84 N 4.63 0.56 -0.38 -0.60 2.12 0.05 -5.00 118.70 120.08 1ia2 s GLU 84 Ca 0.59 0.63 -0.22 0.00 0.36 0.00 0.00 54.97 56.33 1ia2 s GLU 84 Cb -0.15 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.52 1ia2 s GLU 84 CO 0.29 -0.07 0.74 0.42 -0.54 0.00 0.00 175.26 176.10 1ia2 s ILE 85 N 0.20 4.77 -0.07 -3.70 1.01 -1.26 -0.98 121.20 121.16 1ia2 s ILE 85 Ca -0.00 0.70 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 1ia2 s ILE 85 Cb -0.03 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.12 1ia2 s ILE 85 CO 0.01 -0.45 0.63 0.40 0.00 0.00 0.00 174.94 175.53 1ia2 h ILE 86 N 5.77 0.66 -2.32 2.92 2.04 -1.42 -3.49 117.51 121.67 1ia2 h ILE 86 Ca -0.25 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 1ia2 h ILE 86 Cb 1.10 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1ia2 h ILE 86 CO 0.90 0.19 -0.02 -0.90 0.00 0.00 0.00 178.15 178.32 1ia2 n ASP 87 N -4.89 -0.25 0.17 1.72 3.85 -1.09 -4.98 116.55 111.08 1ia2 n ASP 87 Ca -0.06 -1.32 0.13 0.00 -0.71 0.00 0.00 54.79 52.83 1ia2 n ASP 87 Cb 0.23 0.47 0.58 0.00 -1.35 0.00 0.00 41.12 41.04 1ia2 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia2 h ASP 88 N 0.34 0.00 0.00 -1.12 -0.00 -2.02 -2.85 116.42 110.76 1ia2 h ASP 88 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1ia2 h ASP 88 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1ia2 h ASP 88 CO 0.06 0.00 -0.59 0.59 -0.00 0.00 0.00 179.24 179.31 1ia2 n ASN 89 N -2.39 0.60 -3.90 2.28 3.02 -1.26 -4.91 115.26 108.71 1ia2 n ASN 89 Ca 0.01 -0.76 -0.19 0.00 -0.03 0.00 0.00 54.58 53.60 1ia2 n ASN 89 Cb 0.18 1.01 -0.16 0.00 -0.61 0.00 0.00 39.78 40.20 1ia2 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ia2 s ILE 90 N -2.14 0.51 -0.00 2.41 1.01 -1.08 -1.19 121.20 120.72 1ia2 s ILE 90 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1ia2 s ILE 90 Cb 0.09 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1ia2 s ILE 90 CO 0.49 0.21 -0.22 -0.63 0.00 0.00 0.00 174.94 174.80 1ia2 s ILE 91 N 0.82 1.73 -0.07 2.92 1.01 -0.33 -0.96 121.20 126.32 1ia2 s ILE 91 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1ia2 s ILE 91 Cb -0.14 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1ia2 s ILE 91 CO 0.00 0.42 -0.07 -1.00 0.00 0.00 0.00 174.94 174.29 1ia2 s HIS 92 N -0.58 2.92 0.15 3.97 3.76 -0.15 -0.85 115.29 124.50 1ia2 s HIS 92 Ca 0.08 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 1ia2 s HIS 92 Cb -0.09 -1.72 0.06 0.00 1.11 0.00 0.00 32.58 31.95 1ia2 s HIS 92 CO -0.00 0.30 0.56 0.00 -0.85 0.00 0.00 174.74 174.74 1ia2 s ALA 93 N -0.73 -1.45 -1.40 -1.40 0.00 -1.04 -0.77 121.76 114.96 1ia2 s ALA 93 Ca 0.11 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.63 1ia2 s ALA 93 Cb -0.11 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 1ia2 s ALA 93 CO 0.01 -0.74 0.87 -1.13 0.00 0.00 0.00 175.76 174.78 1ia2 n SER 94 N -0.33 1.48 -3.82 0.00 3.41 -1.25 -2.21 113.62 110.90 1ia2 n SER 94 Ca -0.17 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.09 1ia2 n SER 94 Cb 0.65 0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 65.14 1ia2 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia2 s SER 95 N -2.23 -0.03 0.09 4.04 1.04 -1.26 -4.72 113.70 110.63 1ia2 s SER 95 Ca 0.12 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.05 1ia2 s SER 95 Cb 0.14 0.29 -0.14 0.00 0.10 0.00 0.00 66.02 66.41 1ia2 s SER 95 CO 0.53 -0.53 1.70 -0.29 0.98 0.00 0.00 173.24 175.63 1ia2 h ILE 96 N 3.58 0.77 -0.63 -1.02 2.10 -2.00 0.43 117.51 120.74 1ia2 h ILE 96 Ca -0.32 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.59 1ia2 h ILE 96 Cb 1.19 0.77 -0.03 0.00 -1.09 0.00 0.00 36.82 37.66 1ia2 h ILE 96 CO 0.46 0.00 0.24 -0.08 -1.08 0.00 0.00 178.15 177.69 1ia2 h GLU 97 N -0.27 0.92 -0.72 2.19 4.81 -2.00 -0.94 114.58 118.57 1ia2 h GLU 97 Ca -0.01 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1ia2 h GLU 97 Cb 0.23 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ia2 h GLU 97 CO 0.01 0.76 0.20 0.77 -0.73 0.00 0.00 179.01 180.02 1ia2 h SER 98 N 0.90 1.07 -0.91 1.04 0.02 -1.93 -2.72 113.55 111.03 1ia2 h SER 98 Ca 0.21 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ia2 h SER 98 Cb 0.19 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1ia2 h SER 98 CO -0.02 1.01 0.53 0.77 -1.14 0.00 0.00 176.83 177.98 1ia2 h SER 99 N 1.09 1.11 0.49 3.07 4.64 0.43 -3.01 113.55 121.37 1ia2 h SER 99 Ca 0.23 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1ia2 h SER 99 Cb 0.34 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ia2 h SER 99 CO -0.00 0.87 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.69 1ia2 h LEU 100 N 1.26 0.00 -1.28 5.97 3.38 -1.06 -2.31 115.31 121.26 1ia2 h LEU 100 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ia2 h LEU 100 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ia2 h LEU 100 CO -0.06 0.07 0.00 0.78 0.09 0.00 0.00 178.44 179.32 1ia2 h ASN 101 N 0.00 0.00 0.08 -0.43 2.35 -1.39 0.37 115.58 116.55 1ia2 h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ia2 h ASN 101 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1ia2 h ASN 101 CO 0.01 0.00 -0.16 0.18 -1.65 0.00 0.00 177.43 175.81 1ia2 n LEU 102 N -3.03 1.59 -4.78 1.61 7.99 -0.87 -3.97 117.00 115.55 1ia2 n LEU 102 Ca 0.01 -0.51 -0.31 0.00 -0.01 0.00 0.00 56.01 55.18 1ia2 n LEU 102 Cb 0.32 -0.05 -0.07 0.00 -0.11 0.00 0.00 43.42 43.52 1ia2 n LEU 102 CO 0.27 0.28 -0.25 0.68 -1.51 0.00 0.00 177.39 176.86 1ia2 s VAL 103 N -2.25 4.65 0.05 4.08 -7.23 -1.09 -4.95 120.40 113.66 1ia2 s VAL 103 Ca 0.29 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1ia2 s VAL 103 Cb 0.20 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 1ia2 s VAL 103 CO 0.43 0.22 0.09 -0.94 -0.31 0.00 0.00 175.10 174.59 1ia2 s SER 104 N -2.13 0.22 -1.35 4.85 1.04 -1.26 -0.91 113.70 114.15 1ia2 s SER 104 Ca 0.27 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.00 1ia2 s SER 104 Cb -0.12 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1ia2 s SER 104 CO 0.19 -0.56 1.08 -0.90 0.98 0.00 0.00 173.24 174.03 1ia2 n ASP 105 N 0.54 -4.87 -4.46 7.02 5.68 -1.26 -4.99 116.55 114.21 1ia2 n ASP 105 Ca -0.18 -0.62 -0.33 0.00 -0.50 0.00 0.00 54.79 53.17 1ia2 n ASP 105 Cb 0.59 -4.79 -0.13 0.00 -1.14 0.00 0.00 41.12 35.66 1ia2 n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ia2 s VAL 106 N -3.35 3.22 -0.05 2.12 1.01 -1.26 -2.85 120.40 119.25 1ia2 s VAL 106 Ca 0.44 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1ia2 s VAL 106 Cb -0.20 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1ia2 s VAL 106 CO 0.75 0.56 -0.05 -0.08 0.00 0.00 0.00 175.10 176.29 1ia2 h GLU 107 N 5.94 0.00 -6.40 2.72 4.81 -0.71 -3.47 114.58 117.46 1ia2 h GLU 107 Ca -0.38 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.23 1ia2 h GLU 107 Cb 1.18 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.39 1ia2 h GLU 107 CO 0.54 0.00 -0.80 1.03 -0.73 0.00 0.00 179.01 179.04 1ia2 s ARG 108 N -1.38 1.50 -0.09 1.92 0.52 -1.26 -5.02 118.95 115.14 1ia2 s ARG 108 Ca -0.04 -1.56 0.04 0.00 -0.52 0.00 0.00 55.73 53.65 1ia2 s ARG 108 Cb 0.01 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.74 1ia2 s ARG 108 CO 0.06 0.36 -0.21 0.54 0.02 0.00 0.00 175.30 176.06 1ia2 s VAL 109 N -1.92 2.31 -0.02 3.52 0.11 -1.26 -1.25 120.40 121.89 1ia2 s VAL 109 Ca 0.22 -0.94 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1ia2 s VAL 109 Cb -0.07 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.87 1ia2 s VAL 109 CO 0.10 0.56 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.91 1ia2 s PHE 110 N 0.18 1.46 -0.25 1.54 0.08 0.08 -0.85 117.98 120.23 1ia2 s PHE 110 Ca -0.12 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.51 1ia2 s PHE 110 Cb -0.16 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1ia2 s PHE 110 CO 0.07 -0.04 0.23 0.42 -0.10 0.00 0.00 175.22 175.80 1ia2 s ILE 111 N -0.33 5.29 -2.16 0.64 1.01 0.81 0.05 121.20 126.51 1ia2 s ILE 111 Ca 0.05 0.30 0.19 0.00 0.00 0.00 0.00 60.65 61.19 1ia2 s ILE 111 Cb -0.07 -3.57 0.26 0.00 0.01 0.00 0.00 42.46 39.10 1ia2 s ILE 111 CO -0.00 0.27 1.21 2.30 0.00 0.00 0.00 174.94 178.72 1ia2 n ILE 112 N 4.68 0.30 0.00 2.92 -5.35 0.18 -1.60 119.36 120.48 1ia2 n ILE 112 Ca -0.13 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1ia2 n ILE 112 Cb 0.52 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 1ia2 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia2 n GLY 113 N 1.13 0.80 0.00 3.28 0.00 -1.25 -4.94 105.19 104.21 1ia2 n GLY 113 Ca 0.14 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1ia2 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia2 n GLY 114 N -0.96 1.29 0.32 -0.02 0.00 -1.26 -1.27 105.19 103.28 1ia2 n GLY 114 Ca 0.00 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.33 1ia2 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia2 h ALA 115 N -1.43 1.33 -0.07 4.61 0.00 -1.96 0.40 119.26 122.14 1ia2 h ALA 115 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ia2 h ALA 115 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ia2 h ALA 115 CO 0.00 0.02 -0.01 1.49 0.00 0.00 0.00 179.25 180.74 1ia2 h GLU 116 N 0.74 0.13 -0.07 0.00 4.81 -1.96 -0.64 114.58 117.60 1ia2 h GLU 116 Ca 0.46 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.68 1ia2 h GLU 116 Cb 0.58 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1ia2 h GLU 116 CO -0.32 0.45 -0.17 0.82 -0.73 0.00 0.00 179.01 179.07 1ia2 h ILE 117 N -0.20 0.57 0.03 2.32 1.08 -1.77 -1.61 117.51 117.93 1ia2 h ILE 117 Ca 0.02 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1ia2 h ILE 117 Cb 0.40 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1ia2 h ILE 117 CO 0.01 0.00 -0.17 1.88 -0.69 0.00 0.00 178.15 179.17 1ia2 h TYR 118 N -0.24 -0.45 0.00 1.37 0.05 -0.81 0.36 116.97 117.26 1ia2 h TYR 118 Ca 0.08 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1ia2 h TYR 118 Cb 0.35 0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 1ia2 h TYR 118 CO -0.26 -0.25 -0.07 -0.91 -1.05 0.00 0.00 178.16 175.62 1ia2 h ASN 119 N -0.30 0.00 0.04 3.88 2.35 -0.91 -1.92 115.58 118.72 1ia2 h ASN 119 Ca 0.05 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 1ia2 h ASN 119 Cb 0.35 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1ia2 h ASN 119 CO -0.14 0.07 -1.84 1.21 -1.65 0.00 0.00 177.43 175.08 1ia2 n GLU 120 N -3.33 0.63 0.15 0.81 4.07 -0.62 -4.38 120.64 117.97 1ia2 n GLU 120 Ca -0.01 0.39 0.13 0.00 -0.06 0.00 0.00 57.16 57.61 1ia2 n GLU 120 Cb 0.24 -1.67 0.46 0.00 -0.06 0.00 0.00 31.44 30.42 1ia2 n GLU 120 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1ia2 h LEU 121 N -0.60 0.00 -2.13 4.31 4.07 -0.84 -3.16 115.31 116.96 1ia2 h LEU 121 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1ia2 h LEU 121 Cb 1.63 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.37 1ia2 h LEU 121 CO -0.16 0.00 0.00 -0.29 -1.08 0.00 0.00 178.44 176.92 1ia2 h ILE 122 N 0.00 0.87 -0.01 1.22 6.09 -1.55 -0.96 117.51 123.17 1ia2 h ILE 122 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ia2 h ILE 122 Cb 0.58 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.86 1ia2 h ILE 122 CO 0.00 0.00 -0.04 0.59 -3.07 0.00 0.00 178.15 175.63 1ia2 n ASN 123 N -4.35 1.16 -4.69 2.19 3.02 -1.20 -4.84 115.26 106.56 1ia2 n ASN 123 Ca -0.03 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.81 1ia2 n ASN 123 Cb 0.09 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1ia2 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ia2 s ASN 124 N -2.09 7.14 0.08 6.41 3.84 -0.37 -4.94 114.94 125.01 1ia2 s ASN 124 Ca 0.37 1.39 0.12 0.00 0.21 0.00 0.00 52.86 54.96 1ia2 s ASN 124 Cb 0.21 -2.51 0.54 0.00 -0.55 0.00 0.00 41.25 38.94 1ia2 s ASN 124 CO 0.37 -0.37 1.38 -1.54 -2.79 0.00 0.00 177.10 174.15 1ia2 n SER 125 N 4.78 0.17 0.25 -4.21 3.41 -1.26 -1.45 113.62 115.31 1ia2 n SER 125 Ca 0.06 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1ia2 n SER 125 Cb 0.49 -0.59 0.64 0.00 -0.26 0.00 0.00 64.21 64.49 1ia2 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ia2 h LEU 126 N 0.00 0.00 -8.88 1.04 3.38 -1.92 -3.42 115.31 105.52 1ia2 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ia2 h LEU 126 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1ia2 h LEU 126 CO 0.00 0.16 0.91 -0.69 0.09 0.00 0.00 178.44 178.92 1ia2 s VAL 127 N -4.15 4.29 -0.04 1.22 1.01 -0.52 -0.56 120.40 121.64 1ia2 s VAL 127 Ca -0.02 1.43 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1ia2 s VAL 127 Cb 0.13 -4.39 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1ia2 s VAL 127 CO 0.61 -0.64 0.15 -1.54 0.00 0.00 0.00 175.10 173.68 1ia2 n SER 128 N 7.45 2.71 -4.00 3.32 3.41 -0.46 -4.90 113.62 121.15 1ia2 n SER 128 Ca 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1ia2 n SER 128 Cb 0.48 1.17 -0.13 0.00 -0.26 0.00 0.00 64.21 65.46 1ia2 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia2 s HIS 129 N -2.51 0.54 -0.14 7.33 3.76 -1.18 -3.90 115.29 119.18 1ia2 s HIS 129 Ca -0.04 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 1ia2 s HIS 129 Cb 0.05 -0.33 0.01 0.00 1.11 0.00 0.00 32.58 33.41 1ia2 s HIS 129 CO 0.40 -0.04 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.53 1ia2 s LEU 130 N -0.78 2.16 -0.39 0.89 1.43 -0.53 -1.41 118.68 120.05 1ia2 s LEU 130 Ca -0.04 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1ia2 s LEU 130 Cb -0.06 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.77 1ia2 s LEU 130 CO 0.00 0.08 0.20 -0.76 0.23 0.00 0.00 176.35 176.10 1ia2 s LEU 131 N 0.85 4.87 -0.17 1.79 1.02 0.67 -0.53 118.68 127.17 1ia2 s LEU 131 Ca -0.06 -1.40 -0.03 0.00 0.02 0.00 0.00 54.13 52.66 1ia2 s LEU 131 Cb -0.15 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.10 1ia2 s LEU 131 CO -0.02 -0.46 -0.04 -0.63 0.02 0.00 0.00 176.35 175.21 1ia2 s ILE 132 N 1.40 3.67 -0.27 -0.59 1.01 -1.04 -1.65 121.20 123.74 1ia2 s ILE 132 Ca 0.02 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1ia2 s ILE 132 Cb -0.22 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1ia2 s ILE 132 CO 0.02 0.47 0.50 -0.89 0.00 0.00 0.00 174.94 175.04 1ia2 s THR 133 N 0.73 5.07 -0.43 2.92 2.01 0.42 -1.43 115.64 124.93 1ia2 s THR 133 Ca -0.02 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 1ia2 s THR 133 Cb -0.15 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.55 1ia2 s THR 133 CO 0.02 0.06 0.60 -1.61 -0.69 0.00 0.00 174.62 173.00 1ia2 s GLU 134 N 2.30 3.28 -0.07 4.92 2.02 0.18 -1.22 118.70 130.12 1ia2 s GLU 134 Ca 0.20 -0.42 -0.13 0.00 0.02 0.00 0.00 54.97 54.65 1ia2 s GLU 134 Cb -0.16 -3.94 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 1ia2 s GLU 134 CO 0.10 -0.95 0.32 0.42 0.02 0.00 0.00 175.26 175.16 1ia2 s ILE 135 N 2.67 5.21 0.08 -1.63 1.01 0.60 -2.43 121.20 126.71 1ia2 s ILE 135 Ca 0.21 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.56 1ia2 s ILE 135 Cb -0.15 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1ia2 s ILE 135 CO 0.18 0.55 -0.22 -1.61 0.00 0.00 0.00 174.94 173.83 1ia2 s GLU 136 N -0.72 1.29 -0.04 2.79 2.02 0.12 -0.74 118.70 123.43 1ia2 s GLU 136 Ca 0.20 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 54.00 1ia2 s GLU 136 Cb -0.15 -1.52 0.02 0.00 0.10 0.00 0.00 34.13 32.58 1ia2 s GLU 136 CO 0.09 0.37 0.23 -1.58 0.02 0.00 0.00 175.26 174.39 1ia2 s HIS 137 N -0.99 -0.15 0.39 1.61 5.65 -1.26 -1.40 115.29 119.14 1ia2 s HIS 137 Ca 0.08 0.30 0.10 0.00 0.25 0.00 0.00 55.06 55.79 1ia2 s HIS 137 Cb -0.10 0.05 0.88 0.00 -1.18 0.00 0.00 32.58 32.24 1ia2 s HIS 137 CO 0.03 -0.26 1.93 -1.00 -0.65 0.00 0.00 174.74 174.80 1ia2 h PRO 138 N 4.73 0.58 -2.16 2.88 0.13 -2.01 -3.30 132.00 132.85 1ia2 h PRO 138 Ca -0.28 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 1ia2 h PRO 138 Cb 1.19 -0.13 -0.39 0.00 0.13 0.00 0.00 31.00 31.80 1ia2 h PRO 138 CO 0.38 0.39 -1.01 0.45 -0.23 0.00 0.00 178.00 177.98 1ia2 n SER 139 N -4.50 0.36 0.23 1.44 2.88 -1.26 -4.98 113.62 107.80 1ia2 n SER 139 Ca 0.13 -2.67 0.16 0.00 -1.33 0.00 0.00 58.87 55.16 1ia2 n SER 139 Cb 0.38 -0.62 0.85 0.00 -0.75 0.00 0.00 64.21 64.06 1ia2 n SER 139 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ia2 h PRO 140 N 4.54 0.00 0.00 -1.46 0.13 -1.90 -1.54 132.00 131.77 1ia2 h PRO 140 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ia2 h PRO 140 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1ia2 h PRO 140 CO 0.47 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.29 1ia2 h GLU 141 N 0.00 0.00 0.00 0.86 9.09 -1.93 -2.68 114.58 119.92 1ia2 h GLU 141 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1ia2 h GLU 141 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1ia2 h GLU 141 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1ia2 h SER 142 N 0.00 0.00 -3.43 3.06 4.64 -1.71 -3.43 113.55 112.68 1ia2 h SER 142 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1ia2 h SER 142 Cb 0.62 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.61 1ia2 h SER 142 CO 0.00 0.00 0.27 -0.63 -0.87 0.00 0.00 176.83 175.60 1ia2 s ILE 143 N -3.16 4.91 0.13 0.95 1.01 -1.01 -5.02 121.20 119.00 1ia2 s ILE 143 Ca 0.09 1.20 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 1ia2 s ILE 143 Cb 0.09 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1ia2 s ILE 143 CO 0.63 -0.07 1.25 -1.61 0.00 0.00 0.00 174.94 175.13 1ia2 s GLU 144 N 2.68 4.43 -0.08 2.79 0.41 -1.26 -5.01 118.70 122.66 1ia2 s GLU 144 Ca 0.29 1.89 -0.15 0.00 -0.41 0.00 0.00 54.97 56.59 1ia2 s GLU 144 Cb -0.15 -3.27 0.03 0.00 -1.78 0.00 0.00 34.13 28.96 1ia2 s GLU 144 CO 0.09 -0.23 0.37 1.41 -0.49 0.00 0.00 175.26 176.41 1ia2 s MET 145 N 0.49 0.59 0.00 1.61 1.75 -1.26 -4.72 119.30 117.76 1ia2 s MET 145 Ca 0.58 0.19 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 1ia2 s MET 145 Cb -0.33 0.27 0.00 0.00 2.84 0.00 0.00 34.83 37.62 1ia2 s MET 145 CO 0.33 -0.13 0.26 -0.40 -0.65 0.00 0.00 175.02 174.43 1ia2 n ASP 146 N 2.01 0.53 -3.82 1.11 3.85 -0.47 -4.99 116.55 114.78 1ia2 n ASP 146 Ca -0.17 -0.89 -0.16 0.00 -0.71 0.00 0.00 54.79 52.86 1ia2 n ASP 146 Cb 0.57 0.10 -0.16 0.00 -1.35 0.00 0.00 41.12 40.28 1ia2 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1ia2 s THR 147 N -0.10 0.08 0.06 2.12 2.01 -1.15 -4.99 115.64 113.68 1ia2 s THR 147 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1ia2 s THR 147 Cb 0.00 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1ia2 s THR 147 CO 0.00 0.10 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.63 1ia2 s PHE 148 N 0.83 0.61 0.15 4.92 0.40 -1.26 -0.64 117.98 123.00 1ia2 s PHE 148 Ca -0.08 -0.93 -0.23 0.00 -0.60 0.00 0.00 56.93 55.09 1ia2 s PHE 148 Cb -0.11 -0.41 -0.08 0.00 0.51 0.00 0.00 43.02 42.94 1ia2 s PHE 148 CO -0.02 -0.27 0.73 -0.51 0.70 0.00 0.00 175.22 175.85 1ia2 s LEU 149 N -2.71 4.55 -0.60 -0.37 1.43 -0.36 -4.92 118.68 115.69 1ia2 s LEU 149 Ca 0.05 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1ia2 s LEU 149 Cb 0.04 -3.25 0.24 0.00 0.03 0.00 0.00 46.19 43.25 1ia2 s LEU 149 CO -0.07 0.20 0.66 2.29 0.23 0.00 0.00 176.35 179.66 1ia2 n LYS 150 N 1.50 2.05 -3.95 1.70 2.85 -1.26 -4.90 118.16 116.15 1ia2 n LYS 150 Ca -0.06 -4.36 -0.36 0.00 -1.05 0.00 0.00 58.31 52.48 1ia2 n LYS 150 Cb 0.49 -2.07 -0.07 0.00 -0.65 0.00 0.00 35.03 32.74 1ia2 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ia2 s PHE 151 N -2.04 3.51 -1.26 5.58 0.08 -1.26 -4.89 117.98 117.71 1ia2 s PHE 151 Ca 0.37 0.45 -0.12 0.00 0.12 0.00 0.00 56.93 57.75 1ia2 s PHE 151 Cb 0.12 -1.93 0.16 0.00 -0.57 0.00 0.00 43.02 40.80 1ia2 s PHE 151 CO -0.06 0.66 1.70 -0.35 -0.10 0.00 0.00 175.22 177.07 1ia2 n PRO 152 N 2.13 3.46 0.09 0.24 -0.04 -1.26 -4.79 135.00 134.83 1ia2 n PRO 152 Ca -0.19 -3.61 0.09 0.00 -0.04 0.00 0.00 63.50 59.75 1ia2 n PRO 152 Cb 0.55 -3.02 0.42 0.00 -0.04 0.00 0.00 33.50 31.40 1ia2 n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ia2 n LEU 153 N 4.94 0.43 0.10 1.53 4.77 -1.26 -2.25 117.00 125.26 1ia2 n LEU 153 Ca 0.40 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 57.12 1ia2 n LEU 153 Cb 0.40 -0.61 0.45 0.00 -2.33 0.00 0.00 43.42 41.33 1ia2 n LEU 153 CO 0.74 -0.57 0.83 -1.84 -1.33 0.00 0.00 177.39 175.22 1ia2 n GLU 154 N -2.00 0.15 -0.08 3.23 0.00 -1.26 -1.76 120.64 118.92 1ia2 n GLU 154 Ca 0.01 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1ia2 n GLU 154 Cb 0.15 -1.79 0.14 0.00 0.00 0.00 0.00 31.44 29.94 1ia2 n GLU 154 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ia2 n SER 155 N -2.08 3.15 -4.44 -1.84 7.64 -0.95 -4.95 113.62 110.14 1ia2 n SER 155 Ca 0.02 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.70 1ia2 n SER 155 Cb 0.22 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1ia2 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia2 s TRP 156 N -1.74 2.15 -0.11 1.43 0.52 -0.72 -1.28 118.94 119.18 1ia2 s TRP 156 Ca 0.32 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1ia2 s TRP 156 Cb 0.21 -0.95 0.01 0.00 -1.15 0.00 0.00 33.47 31.59 1ia2 s TRP 156 CO 0.30 0.62 -0.17 0.99 0.02 0.00 0.00 176.95 178.71 1ia2 s THR 157 N -2.57 1.63 -0.06 2.01 2.01 0.10 -4.79 115.64 113.97 1ia2 s THR 157 Ca 0.28 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1ia2 s THR 157 Cb -0.04 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1ia2 s THR 157 CO 0.13 0.47 1.11 -0.75 -0.69 0.00 0.00 174.62 174.89 1ia2 s LYS 158 N 0.87 4.40 0.51 4.92 2.20 -1.26 -0.98 119.74 130.40 1ia2 s LYS 158 Ca -0.09 1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 57.05 1ia2 s LYS 158 Cb -0.15 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1ia2 s LYS 158 CO -0.00 -0.35 0.79 -0.65 -0.36 0.00 0.00 175.35 174.78 1ia2 s GLN 159 N 1.94 3.19 0.79 4.03 -1.52 0.35 -4.99 119.66 123.45 1ia2 s GLN 159 Ca 0.53 -0.07 -0.12 0.00 -1.95 0.00 0.00 55.36 53.75 1ia2 s GLN 159 Cb -0.22 -2.39 0.07 0.00 -0.22 0.00 0.00 33.01 30.25 1ia2 s GLN 159 CO 0.22 -0.39 1.15 -1.25 -0.25 0.00 0.00 175.29 174.77 1ia2 s PRO 160 N -4.77 1.87 0.55 2.91 0.04 -1.26 -4.62 135.00 129.72 1ia2 s PRO 160 Ca 0.50 1.52 0.23 0.00 0.04 0.00 0.00 61.00 63.29 1ia2 s PRO 160 Cb -0.10 -1.83 1.48 0.00 0.04 0.00 0.00 34.50 34.09 1ia2 s PRO 160 CO 0.43 -1.99 2.11 -0.22 0.04 0.00 0.00 177.00 177.38 1ia2 h LYS 161 N -0.95 0.00 -0.88 4.56 3.64 -1.97 -1.06 116.57 119.91 1ia2 h LYS 161 Ca -0.45 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1ia2 h LYS 161 Cb 1.27 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1ia2 h LYS 161 CO 0.48 0.00 0.55 0.66 -2.27 0.00 0.00 179.45 178.87 1ia2 h SER 162 N 0.00 0.88 -0.21 4.20 4.64 -1.99 0.11 113.55 121.18 1ia2 h SER 162 Ca 0.08 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1ia2 h SER 162 Cb 0.37 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1ia2 h SER 162 CO -0.00 0.57 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.95 1ia2 h GLU 163 N 1.02 0.68 -0.37 4.77 4.39 -1.55 -2.10 114.58 121.42 1ia2 h GLU 163 Ca 0.38 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1ia2 h GLU 163 Cb 0.14 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ia2 h GLU 163 CO -0.16 0.87 0.11 1.25 -1.16 0.00 0.00 179.01 179.92 1ia2 h LEU 164 N 0.60 0.55 -0.47 1.33 5.85 -1.22 -1.88 115.31 120.06 1ia2 h LEU 164 Ca 0.08 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ia2 h LEU 164 Cb 0.74 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 1ia2 h LEU 164 CO 0.06 0.62 0.08 -0.61 -0.34 0.00 0.00 178.44 178.25 1ia2 h GLN 165 N 0.45 0.21 -0.72 1.25 5.75 -0.66 -1.27 115.11 120.11 1ia2 h GLN 165 Ca 0.12 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1ia2 h GLN 165 Cb 0.27 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1ia2 h GLN 165 CO -0.00 0.14 0.44 0.87 -2.65 0.00 0.00 178.83 177.62 1ia2 h LYS 166 N 0.22 0.97 0.38 1.69 1.57 -1.29 -0.74 116.57 119.37 1ia2 h LYS 166 Ca 0.23 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ia2 h LYS 166 Cb 0.31 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ia2 h LYS 166 CO -0.31 0.67 -0.18 0.35 -0.57 0.00 0.00 179.45 179.40 1ia2 h PHE 167 N 0.98 -0.48 -0.00 -1.35 3.04 -0.48 -3.16 116.94 115.50 1ia2 h PHE 167 Ca 0.26 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.20 1ia2 h PHE 167 Cb -0.05 0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1ia2 h PHE 167 CO 0.00 -0.27 -0.02 1.33 -2.02 0.00 0.00 178.31 177.33 1ia2 n VAL 168 N -5.30 0.00 0.00 1.41 0.24 -0.56 -5.01 118.33 109.11 1ia2 n VAL 168 Ca -0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1ia2 n VAL 168 Cb 0.23 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 1ia2 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ia2 n GLY 169 N 1.45 3.39 0.21 7.63 0.00 -0.30 -3.11 105.19 114.46 1ia2 n GLY 169 Ca 0.09 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1ia2 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ia2 h ASP 170 N 0.00 0.00 -1.75 1.61 3.45 -1.94 -3.45 116.42 114.34 1ia2 h ASP 170 Ca 0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1ia2 h ASP 170 Cb 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.83 1ia2 h ASP 170 CO 0.00 0.30 0.38 0.41 -1.57 0.00 0.00 179.24 178.76 1ia2 n THR 171 N -3.95 0.30 -2.55 0.35 -1.04 -1.18 -4.91 114.28 101.31 1ia2 n THR 171 Ca -0.02 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 1ia2 n THR 171 Cb 0.37 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 1ia2 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia2 s VAL 172 N 0.25 4.34 -0.40 12.58 1.01 -1.26 -5.01 120.40 131.91 1ia2 s VAL 172 Ca 0.81 1.71 -0.00 0.00 0.00 0.00 0.00 61.98 64.50 1ia2 s VAL 172 Cb -0.93 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 31.47 1ia2 s VAL 172 CO 0.49 0.15 0.17 -0.76 0.00 0.00 0.00 175.10 175.15 1ia2 s LEU 173 N 0.88 5.06 0.64 3.92 1.43 -1.26 -5.08 118.68 124.27 1ia2 s LEU 173 Ca 0.55 -2.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.39 1ia2 s LEU 173 Cb -0.26 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ia2 s LEU 173 CO 0.29 -0.47 1.03 -1.61 0.23 0.00 0.00 176.35 175.82 1ia2 s GLU 174 N 0.94 3.28 0.04 1.70 2.02 -1.26 -5.08 118.70 120.34 1ia2 s GLU 174 Ca 0.10 0.55 0.05 0.00 0.02 0.00 0.00 54.97 55.69 1ia2 s GLU 174 Cb -0.21 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1ia2 s GLU 174 CO -0.05 -0.72 -0.11 -0.51 0.02 0.00 0.00 175.26 173.88 1ia2 s ASP 175 N -4.25 4.31 -1.21 -0.19 1.01 -1.26 -4.74 116.67 110.33 1ia2 s ASP 175 Ca 0.55 -0.30 -0.21 0.00 0.71 0.00 0.00 52.55 53.31 1ia2 s ASP 175 Cb -0.11 -0.87 0.01 0.00 1.01 0.00 0.00 42.92 42.96 1ia2 s ASP 175 CO 0.52 0.24 0.69 0.47 0.21 0.00 0.00 175.17 177.30 1ia2 n ASP 176 N 1.31 -4.09 -4.72 0.27 10.43 -1.23 -4.89 116.55 113.64 1ia2 n ASP 176 Ca -0.15 -1.10 -0.42 0.00 2.57 0.00 0.00 54.79 55.69 1ia2 n ASP 176 Cb 0.52 -2.84 -0.03 0.00 1.84 0.00 0.00 41.12 40.61 1ia2 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia2 s ILE 177 N -3.58 3.50 -0.09 0.53 1.01 -0.47 -4.71 121.20 117.39 1ia2 s ILE 177 Ca 0.40 1.10 0.03 0.00 0.00 0.00 0.00 60.65 62.17 1ia2 s ILE 177 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1ia2 s ILE 177 CO 0.90 0.09 -0.17 -0.54 0.00 0.00 0.00 174.94 175.23 1ia2 s LYS 178 N 0.95 2.90 -0.25 2.79 1.02 -1.26 -0.43 119.74 125.45 1ia2 s LYS 178 Ca 0.62 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 1ia2 s LYS 178 Cb -0.35 -2.43 0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1ia2 s LYS 178 CO 0.31 0.38 0.13 -1.21 -0.92 0.00 0.00 175.35 174.04 1ia2 s GLU 179 N -0.11 0.16 7.10 1.68 2.02 -0.30 -5.02 118.70 124.24 1ia2 s GLU 179 Ca -0.03 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1ia2 s GLU 179 Cb -0.14 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1ia2 s GLU 179 CO 0.04 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.82 1ia2 n GLY 180 N 5.26 2.04 0.07 -1.39 0.00 -1.26 -2.03 105.19 107.89 1ia2 n GLY 180 Ca -0.06 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1ia2 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia2 n ASP 181 N 6.68 0.67 -4.80 1.61 10.43 -1.26 -4.89 116.55 124.99 1ia2 n ASP 181 Ca 0.00 -0.46 -0.37 0.00 2.57 0.00 0.00 54.79 56.53 1ia2 n ASP 181 Cb 0.00 0.24 -0.06 0.00 1.84 0.00 0.00 41.12 43.14 1ia2 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ia2 s PHE 182 N -2.86 3.75 -0.05 1.24 0.08 -0.86 -4.39 117.98 114.89 1ia2 s PHE 182 Ca 0.15 1.43 0.05 0.00 0.12 0.00 0.00 56.93 58.67 1ia2 s PHE 182 Cb 0.18 -2.63 -0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1ia2 s PHE 182 CO 0.66 0.44 -0.20 0.99 -0.10 0.00 0.00 175.22 177.01 1ia2 s THR 183 N -1.34 1.64 0.05 0.64 2.01 -0.49 -1.14 115.64 117.01 1ia2 s THR 183 Ca 0.38 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1ia2 s THR 183 Cb -0.19 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1ia2 s THR 183 CO 0.22 0.46 0.21 -0.72 -0.69 0.00 0.00 174.62 174.11 1ia2 s TYR 184 N 0.05 0.05 0.04 4.92 1.13 0.42 0.13 117.35 124.10 1ia2 s TYR 184 Ca -0.06 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1ia2 s TYR 184 Cb -0.13 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1ia2 s TYR 184 CO 0.03 -0.47 -0.05 -0.80 -2.51 0.00 0.00 175.55 171.75 1ia2 s ASN 185 N -2.26 0.60 -0.02 -0.18 -0.87 -1.02 -1.37 114.94 109.82 1ia2 s ASN 185 Ca -0.03 -0.67 -0.14 0.00 -1.57 0.00 0.00 52.86 50.46 1ia2 s ASN 185 Cb 0.00 0.10 -0.05 0.00 -0.02 0.00 0.00 41.25 41.27 1ia2 s ASN 185 CO -0.05 -0.34 0.37 -0.31 -2.57 0.00 0.00 177.10 174.20 1ia2 s TYR 186 N -2.14 3.71 0.12 2.20 2.02 -1.26 -0.64 117.35 121.36 1ia2 s TYR 186 Ca -0.06 0.93 0.02 0.00 -0.37 0.00 0.00 57.07 57.59 1ia2 s TYR 186 Cb -0.05 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1ia2 s TYR 186 CO -0.03 0.65 -0.06 0.95 -1.57 0.00 0.00 175.55 175.50 1ia2 s THR 187 N -1.06 0.79 -0.01 -0.71 -4.23 -0.52 -4.95 115.64 104.95 1ia2 s THR 187 Ca 0.23 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1ia2 s THR 187 Cb -0.16 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1ia2 s THR 187 CO 0.12 -0.78 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.01 1ia2 s LEU 188 N -3.09 2.05 0.02 4.79 2.96 -1.26 -2.48 118.68 121.66 1ia2 s LEU 188 Ca 0.15 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1ia2 s LEU 188 Cb 0.05 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1ia2 s LEU 188 CO -0.02 0.23 -0.11 0.26 -1.32 0.00 0.00 176.35 175.39 1ia2 s TRP 189 N -0.48 1.01 0.20 5.38 0.52 0.31 -0.50 118.94 125.39 1ia2 s TRP 189 Ca 0.07 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 55.95 1ia2 s TRP 189 Cb -0.08 -0.62 -0.05 0.00 -1.15 0.00 0.00 33.47 31.58 1ia2 s TRP 189 CO -0.01 0.00 -0.06 0.95 0.02 0.00 0.00 176.95 177.86 1ia2 s THR 190 N -0.65 1.20 0.36 2.01 -4.23 -0.15 -1.46 115.64 112.72 1ia2 s THR 190 Ca 0.01 -2.07 -0.26 0.00 -1.18 0.00 0.00 61.69 58.19 1ia2 s THR 190 Cb -0.06 -2.15 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 1ia2 s THR 190 CO 0.00 -0.50 1.09 -0.13 -0.54 0.00 0.00 174.62 174.55 1ia2 s ARG 191 N -3.79 4.30 0.00 3.99 0.52 -1.25 0.03 118.95 122.75 1ia2 s ARG 191 Ca 0.24 1.68 0.15 0.00 -0.52 0.00 0.00 55.73 57.28 1ia2 s ARG 191 Cb 0.04 -2.79 0.91 0.00 0.52 0.00 0.00 34.95 33.63 1ia2 s ARG 191 CO 0.06 -0.06 1.33 0.36 0.02 0.00 0.00 175.30 177.01