#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 4.50 0.03 -0.89 1.43 -1.26 -5.03 118.68 117.47 1ia2 s LEU 2 Ca 0.00 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 1ia2 s LEU 2 Cb 0.00 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1ia2 s LEU 2 CO 0.00 -0.26 -0.10 -0.54 0.23 0.00 0.00 176.35 175.68 1ia2 s LYS 3 N -1.59 0.68 0.81 1.70 1.02 -1.26 -5.15 119.74 115.95 1ia2 s LYS 3 Ca 0.46 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 1ia2 s LYS 3 Cb -0.33 -0.60 0.08 0.00 -0.52 0.00 0.00 37.83 36.46 1ia2 s LYS 3 CO 0.43 0.14 1.09 -1.25 -0.92 0.00 0.00 175.35 174.84 1ia2 s PRO 4 N -1.13 1.99 -0.38 -1.68 0.04 -1.26 -5.02 135.00 127.56 1ia2 s PRO 4 Ca -0.03 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 1ia2 s PRO 4 Cb -0.08 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ia2 s PRO 4 CO 0.01 -1.76 0.19 1.21 0.04 0.00 0.00 177.00 176.68 1ia2 s ASN 5 N -3.54 5.59 -0.02 6.66 2.47 -1.26 -5.00 114.94 119.83 1ia2 s ASN 5 Ca 0.61 -1.18 0.07 0.00 0.42 0.00 0.00 52.86 52.78 1ia2 s ASN 5 Cb -0.16 -1.97 -0.02 0.00 -1.45 0.00 0.00 41.25 37.65 1ia2 s ASN 5 CO 0.56 -0.41 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.61 1ia2 s VAL 6 N 1.47 1.81 0.03 -5.21 1.01 -1.25 -0.26 120.40 118.01 1ia2 s VAL 6 Ca 0.01 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1ia2 s VAL 6 Cb -0.20 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1ia2 s VAL 6 CO 0.04 0.51 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 1ia2 s ALA 7 N -0.45 0.29 -0.05 5.51 0.00 -0.47 -1.65 121.76 124.94 1ia2 s ALA 7 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 1ia2 s ALA 7 Cb -0.10 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1ia2 s ALA 7 CO -0.00 -0.12 0.25 0.42 0.00 0.00 0.00 175.76 176.31 1ia2 s ILE 8 N -1.51 5.32 -0.06 0.00 1.01 -0.81 -0.19 121.20 124.95 1ia2 s ILE 8 Ca -0.13 0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1ia2 s ILE 8 Cb -0.09 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1ia2 s ILE 8 CO -0.01 0.54 -0.07 -0.51 0.00 0.00 0.00 174.94 174.89 1ia2 s ILE 9 N -1.12 0.75 0.10 2.92 2.07 -0.80 0.41 121.20 125.52 1ia2 s ILE 9 Ca 0.21 -0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 1ia2 s ILE 9 Cb -0.14 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1ia2 s ILE 9 CO 0.10 0.28 0.37 0.54 -1.91 0.00 0.00 174.94 174.32 1ia2 s VAL 10 N 0.98 0.08 -0.13 4.00 0.11 -0.49 -4.61 120.40 120.34 1ia2 s VAL 10 Ca -0.10 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1ia2 s VAL 10 Cb -0.14 -1.14 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 1ia2 s VAL 10 CO 0.00 -0.35 -0.22 0.00 -3.33 0.00 0.00 175.10 171.20 1ia2 s ALA 11 N -3.50 2.20 0.05 1.54 0.00 -1.26 -0.43 121.76 120.36 1ia2 s ALA 11 Ca 0.01 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1ia2 s ALA 11 Cb 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1ia2 s ALA 11 CO -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 175.76 175.59 1ia2 s ALA 12 N 0.79 0.63 -0.24 0.00 0.00 -0.41 -4.70 121.76 117.83 1ia2 s ALA 12 Ca -0.08 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1ia2 s ALA 12 Cb -0.16 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1ia2 s ALA 12 CO -0.01 -0.10 0.27 -1.17 0.00 0.00 0.00 175.76 174.75 1ia2 s LEU 13 N -2.00 4.10 0.49 0.00 2.96 -0.36 -0.87 118.68 122.99 1ia2 s LEU 13 Ca -0.04 0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 1ia2 s LEU 13 Cb -0.05 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 1ia2 s LEU 13 CO -0.02 -0.04 0.99 -0.54 -1.32 0.00 0.00 176.35 175.43 1ia2 s LYS 14 N 1.41 3.94 0.24 1.98 1.02 -0.31 0.05 119.74 128.07 1ia2 s LYS 14 Ca 0.12 1.08 0.23 0.00 0.02 0.00 0.00 55.97 57.42 1ia2 s LYS 14 Cb -0.15 -2.13 0.17 0.00 -0.52 0.00 0.00 37.83 35.20 1ia2 s LYS 14 CO 0.07 -0.28 1.24 -1.00 -0.92 0.00 0.00 175.35 174.46 1ia2 h PRO 15 N 1.24 0.00 0.00 -1.68 0.13 -1.98 -3.44 132.00 126.27 1ia2 h PRO 15 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ia2 h PRO 15 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ia2 h PRO 15 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1ia2 h ALA 16 N 2.12 1.00 -3.71 -0.56 0.00 -1.99 -3.47 119.26 112.64 1ia2 h ALA 16 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1ia2 h ALA 16 Cb 0.94 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.81 1ia2 h ALA 16 CO 0.00 0.00 -0.38 1.28 0.00 0.00 0.00 179.25 180.15 1ia2 n LEU 17 N -2.94 -2.85 -4.73 0.00 4.77 0.11 -4.67 117.00 106.69 1ia2 n LEU 17 Ca 0.01 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 1ia2 n LEU 17 Cb 0.31 -1.89 -0.03 0.00 -2.33 0.00 0.00 43.42 39.49 1ia2 n LEU 17 CO 0.27 0.32 1.02 -0.83 -1.33 0.00 0.00 177.39 176.83 1ia2 s GLY 18 N -3.32 2.27 0.00 -0.72 0.00 -0.89 -1.74 107.32 102.92 1ia2 s GLY 18 Ca 0.23 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.08 1ia2 s GLY 18 CO 0.39 2.18 0.09 0.29 0.00 0.00 0.00 173.10 176.06 1ia2 n ILE 19 N 3.10 0.00 -3.65 0.90 -5.35 -0.15 -1.23 119.36 112.98 1ia2 n ILE 19 Ca 0.08 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 62.11 1ia2 n ILE 19 Cb 0.42 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.67 -0.34 -0.23 3.28 0.00 -1.13 -4.67 107.32 103.56 1ia2 s GLY 20 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 1ia2 s GLY 20 CO 0.00 0.16 0.50 -0.47 0.00 0.00 0.00 173.10 173.29 1ia2 s TYR 21 N -2.81 -0.97 -1.42 1.90 5.04 0.19 -1.86 117.35 117.42 1ia2 s TYR 21 Ca 0.12 1.79 -0.08 0.00 -2.44 0.00 0.00 57.07 56.45 1ia2 s TYR 21 Cb 0.01 0.47 0.05 0.00 0.35 0.00 0.00 41.96 42.84 1ia2 s TYR 21 CO -0.02 -0.54 0.63 1.63 -1.34 0.00 0.00 175.55 175.91 1ia2 n LYS 22 N 5.32 -4.43 -0.87 4.97 4.01 -1.26 -1.38 118.16 124.53 1ia2 n LYS 22 Ca -0.11 0.67 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1ia2 n LYS 22 Cb 0.50 -5.47 0.00 0.00 -0.51 0.00 0.00 35.03 29.54 1ia2 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ia2 n GLY 23 N -1.41 0.54 3.21 0.72 0.00 -1.26 -5.04 105.19 101.96 1ia2 n GLY 23 Ca -0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1ia2 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ia2 s LYS 24 N -0.51 1.05 -0.06 1.61 1.02 -0.48 -5.01 119.74 117.37 1ia2 s LYS 24 Ca 0.00 -1.50 -0.23 0.00 0.02 0.00 0.00 55.97 54.25 1ia2 s LYS 24 Cb 0.00 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 1ia2 s LYS 24 CO 0.00 -0.16 0.69 -1.64 -0.92 0.00 0.00 175.35 173.32 1ia2 s MET 25 N -3.95 4.43 0.00 1.68 -1.94 -1.26 0.55 119.30 118.81 1ia2 s MET 25 Ca 0.24 0.87 0.00 0.00 -1.71 0.00 0.00 55.69 55.09 1ia2 s MET 25 Cb 0.06 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1ia2 s MET 25 CO 0.03 0.09 0.56 -0.35 -0.01 0.00 0.00 175.02 175.34 1ia2 n PRO 26 N 3.69 0.59 -3.84 2.03 -0.04 -1.26 -4.76 135.00 131.41 1ia2 n PRO 26 Ca -0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1ia2 n PRO 26 Cb 0.51 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.89 0.08 -0.33 0.54 -2.14 -1.26 -5.01 118.94 108.94 1ia2 s TRP 27 Ca 0.00 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.34 1ia2 s TRP 27 Cb 0.00 -0.02 0.10 0.00 -3.10 0.00 0.00 33.47 30.45 1ia2 s TRP 27 CO 0.00 -0.51 0.10 0.50 -2.66 0.00 0.00 176.95 174.38 1ia2 s ARG 28 N -3.34 0.90 -0.40 3.25 3.52 -1.26 -5.08 118.95 116.53 1ia2 s ARG 28 Ca 0.01 -1.30 -0.08 0.00 -0.13 0.00 0.00 55.73 54.23 1ia2 s ARG 28 Cb 0.02 -2.23 0.07 0.00 -1.56 0.00 0.00 34.95 31.26 1ia2 s ARG 28 CO -0.08 -0.99 0.22 -0.51 -0.81 0.00 0.00 175.30 173.13 1ia2 s LEU 29 N 1.38 5.00 0.17 -0.88 1.43 -1.26 -5.01 118.68 119.51 1ia2 s LEU 29 Ca 0.11 -1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 51.58 1ia2 s LEU 29 Cb -0.18 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.15 1ia2 s LEU 29 CO -0.20 -0.50 1.78 0.03 0.23 0.00 0.00 176.35 177.70 1ia2 h ARG 30 N 8.33 0.72 -0.39 1.70 3.08 -1.99 -1.45 114.38 124.38 1ia2 h ARG 30 Ca -0.22 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.61 1ia2 h ARG 30 Cb 1.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1ia2 h ARG 30 CO 0.72 0.55 -0.30 0.87 -1.07 0.00 0.00 179.97 180.74 1ia2 h LYS 31 N 0.70 0.90 -0.66 0.04 1.57 -1.99 -2.42 116.57 114.71 1ia2 h LYS 31 Ca 0.19 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1ia2 h LYS 31 Cb 0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1ia2 h LYS 31 CO -0.03 1.10 0.25 1.49 -0.57 0.00 0.00 179.45 181.69 1ia2 h GLU 32 N 0.72 1.00 -0.84 3.15 4.22 -1.95 -0.77 114.58 120.12 1ia2 h GLU 32 Ca 0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 1ia2 h GLU 32 Cb 0.89 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1ia2 h GLU 32 CO 0.08 0.84 0.45 0.82 -2.18 0.00 0.00 179.01 179.03 1ia2 h ILE 33 N 0.94 1.25 -0.43 2.32 2.04 -1.13 -0.71 117.51 121.79 1ia2 h ILE 33 Ca 0.22 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 1ia2 h ILE 33 Cb 0.23 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1ia2 h ILE 33 CO -0.02 0.28 -0.15 -0.09 0.00 0.00 0.00 178.15 178.18 1ia2 h ARG 34 N 1.17 0.81 -0.06 2.37 9.65 -0.83 -0.63 114.38 126.87 1ia2 h ARG 34 Ca 0.29 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1ia2 h ARG 34 Cb 0.04 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1ia2 h ARG 34 CO -0.05 0.91 0.01 -0.92 2.80 0.00 0.00 179.97 182.72 1ia2 h TYR 35 N 0.72 0.01 -0.11 2.20 5.03 -0.72 -0.89 116.97 123.21 1ia2 h TYR 35 Ca 0.11 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.47 1ia2 h TYR 35 Cb 0.65 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.88 1ia2 h TYR 35 CO 0.03 0.00 -0.16 0.35 -1.32 0.00 0.00 178.16 177.06 1ia2 h PHE 36 N 0.03 -0.42 -0.14 -3.82 3.04 -0.72 -0.93 116.94 113.97 1ia2 h PHE 36 Ca 0.03 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1ia2 h PHE 36 Cb 0.02 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 1ia2 h PHE 36 CO -0.10 -0.24 -0.06 -0.22 -2.02 0.00 0.00 178.31 175.67 1ia2 h LYS 37 N -0.22 -0.04 0.12 1.11 3.64 -0.85 -2.19 116.57 118.15 1ia2 h LYS 37 Ca 0.09 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1ia2 h LYS 37 Cb 0.34 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ia2 h LYS 37 CO -0.24 -0.03 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.32 1ia2 h ASP 38 N -0.04 -0.42 -0.28 4.20 3.45 -0.83 -1.79 116.42 120.70 1ia2 h ASP 38 Ca 0.08 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 1ia2 h ASP 38 Cb 0.16 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1ia2 h ASP 38 CO -0.17 -0.23 0.05 0.58 -1.57 0.00 0.00 179.24 177.90 1ia2 h VAL 39 N -0.32 1.22 0.00 -1.35 2.07 -1.19 -0.65 116.25 116.03 1ia2 h VAL 39 Ca 0.01 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1ia2 h VAL 39 Cb 0.33 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1ia2 h VAL 39 CO -0.07 0.25 -0.17 0.71 0.02 0.00 0.00 177.57 178.31 1ia2 h THR 40 N 0.28 0.47 0.09 2.57 1.35 -1.38 -3.28 112.91 113.02 1ia2 h THR 40 Ca 0.09 -0.88 -0.35 0.00 -0.55 0.00 0.00 66.41 64.71 1ia2 h THR 40 Cb 0.32 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1ia2 h THR 40 CO 0.00 0.16 -1.97 0.41 -0.25 0.00 0.00 175.52 173.87 1ia2 n THR 41 N -3.40 1.73 -1.81 6.82 -1.04 -0.68 -4.61 114.28 111.30 1ia2 n THR 41 Ca -0.00 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.05 60.91 1ia2 n THR 41 Cb 0.36 -1.57 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1ia2 n THR 41 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ia2 s ARG 42 N -2.56 4.15 0.27 -2.82 3.52 -0.26 -4.67 118.95 116.57 1ia2 s ARG 42 Ca -0.19 2.53 0.05 0.00 -0.13 0.00 0.00 55.73 57.98 1ia2 s ARG 42 Cb 0.07 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1ia2 s ARG 42 CO 0.77 -0.62 -0.01 0.95 -0.81 0.00 0.00 175.30 175.59 1ia2 s THR 43 N 0.20 1.32 0.24 4.11 -4.23 -1.26 -4.90 115.64 111.12 1ia2 s THR 43 Ca 0.64 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1ia2 s THR 43 Cb -0.47 -2.48 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 1ia2 s THR 43 CO 0.44 -0.25 1.55 0.71 -0.54 0.00 0.00 174.62 176.54 1ia2 h THR 44 N 2.32 1.46 -3.89 3.99 1.35 -1.95 -3.46 112.91 112.72 1ia2 h THR 44 Ca -0.39 -2.24 -0.25 0.00 -0.55 0.00 0.00 66.41 62.98 1ia2 h THR 44 Cb 1.23 2.20 -0.18 0.00 -1.73 0.00 0.00 68.15 69.67 1ia2 h THR 44 CO 0.67 0.64 -0.71 -1.59 -0.25 0.00 0.00 175.52 174.28 1ia2 s LYS 45 N -3.54 0.69 0.78 4.72 -2.85 -1.26 -5.15 119.74 113.13 1ia2 s LYS 45 Ca -0.02 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 1ia2 s LYS 45 Cb 0.12 -0.24 0.07 0.00 -2.06 0.00 0.00 37.83 35.72 1ia2 s LYS 45 CO 0.78 0.01 1.11 -2.14 0.10 0.00 0.00 175.35 175.21 1ia2 s PRO 46 N -2.79 2.09 -1.49 1.78 0.02 -1.26 -3.57 135.00 129.78 1ia2 s PRO 46 Ca 0.02 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.30 1ia2 s PRO 46 Cb -0.02 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1ia2 s PRO 46 CO -0.02 -1.78 0.19 0.09 -0.33 0.00 0.00 177.00 175.14 1ia2 n ASN 47 N -3.50 -5.40 -4.24 2.53 3.02 -1.26 -5.00 115.26 101.42 1ia2 n ASN 47 Ca 0.10 -0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1ia2 n ASN 47 Cb 0.53 -4.38 -0.10 0.00 -0.61 0.00 0.00 39.78 35.21 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 -2.98 0.63 0.30 3.41 -4.23 -1.23 -5.18 115.64 106.36 1ia2 s THR 48 Ca 0.09 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1ia2 s THR 48 Cb -0.04 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1ia2 s THR 48 CO 0.12 -0.42 0.50 0.00 -0.54 0.00 0.00 174.62 174.27 1ia2 s ARG 49 N -3.93 1.76 0.47 3.99 1.70 -1.26 -4.89 118.95 116.78 1ia2 s ARG 49 Ca 0.25 -1.48 0.06 0.00 -0.47 0.00 0.00 55.73 54.09 1ia2 s ARG 49 Cb 0.06 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1ia2 s ARG 49 CO 0.05 -0.74 0.21 -0.80 -1.08 0.00 0.00 175.30 172.94 1ia2 s ASN 50 N -3.11 4.42 0.19 -2.89 0.01 -1.26 -0.55 114.94 111.74 1ia2 s ASN 50 Ca 0.25 -1.25 0.11 0.00 -0.71 0.00 0.00 52.86 51.26 1ia2 s ASN 50 Cb -0.01 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1ia2 s ASN 50 CO 0.14 -0.76 -0.20 0.00 -1.51 0.00 0.00 177.10 174.77 1ia2 s ALA 51 N -2.71 2.66 -0.05 0.60 0.00 -0.62 -1.14 121.76 120.50 1ia2 s ALA 51 Ca 0.32 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1ia2 s ALA 51 Cb 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1ia2 s ALA 51 CO 0.18 0.44 -0.16 0.14 0.00 0.00 0.00 175.76 176.36 1ia2 s VAL 52 N -1.69 1.37 -0.10 0.00 -7.23 -0.05 -0.41 120.40 112.29 1ia2 s VAL 52 Ca 0.22 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 1ia2 s VAL 52 Cb -0.08 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 1ia2 s VAL 52 CO 0.11 0.40 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.50 1ia2 s ILE 53 N 0.21 2.71 0.05 -0.62 1.01 0.06 -1.29 121.20 123.33 1ia2 s ILE 53 Ca -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1ia2 s ILE 53 Cb -0.13 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1ia2 s ILE 53 CO 0.03 0.55 0.04 0.00 0.00 0.00 0.00 174.94 175.56 1ia2 s MET 54 N 0.03 0.62 0.57 2.79 0.23 -0.74 -0.50 119.30 122.30 1ia2 s MET 54 Ca -0.06 -1.03 -0.08 0.00 -1.03 0.00 0.00 55.69 53.49 1ia2 s MET 54 Cb -0.15 0.23 -0.03 0.00 -1.53 0.00 0.00 34.83 33.35 1ia2 s MET 54 CO 0.05 -0.14 0.92 0.20 -2.03 0.00 0.00 175.02 174.02 1ia2 s GLY 55 N -2.62 1.59 0.27 3.16 0.00 -0.09 -1.17 107.32 108.46 1ia2 s GLY 55 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 1ia2 s GLY 55 CO -0.08 -0.11 1.83 -0.09 0.00 0.00 0.00 173.10 174.64 1ia2 h ARG 56 N -0.12 0.90 -0.91 2.90 2.43 -1.71 -2.21 114.38 115.66 1ia2 h ARG 56 Ca -0.45 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1ia2 h ARG 56 Cb 1.21 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 1ia2 h ARG 56 CO 0.62 0.60 0.59 0.87 -1.51 0.00 0.00 179.97 181.14 1ia2 h LYS 57 N 0.93 1.11 -0.17 0.20 1.57 -1.94 0.51 116.57 118.80 1ia2 h LYS 57 Ca 0.45 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1ia2 h LYS 57 Cb 0.41 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ia2 h LYS 57 CO -0.25 0.74 -0.03 1.15 -0.57 0.00 0.00 179.45 180.48 1ia2 h THR 58 N 1.15 1.28 -0.09 -0.16 2.02 -1.81 -2.56 112.91 112.73 1ia2 h THR 58 Ca 0.36 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1ia2 h THR 58 Cb -0.00 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1ia2 h THR 58 CO -0.12 0.29 -0.26 -0.25 0.37 0.00 0.00 175.52 175.55 1ia2 h TRP 59 N 0.03 -0.71 0.00 3.16 2.91 -1.10 -1.65 115.95 118.58 1ia2 h TRP 59 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1ia2 h TRP 59 Cb 0.46 0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1ia2 h TRP 59 CO 0.05 -0.35 0.00 0.93 -1.03 0.00 0.00 178.44 178.04 1ia2 h GLU 60 N -0.35 0.00 0.00 2.65 5.08 -0.85 -1.88 114.58 119.22 1ia2 h GLU 60 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ia2 h GLU 60 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ia2 h GLU 60 CO -0.30 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.14 1ia2 n SER 61 N -2.82 0.00 -4.69 1.42 7.64 -0.63 -4.70 113.62 109.85 1ia2 n SER 61 Ca -0.01 -0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 1ia2 n SER 61 Cb 0.12 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.65 5.22 0.29 0.44 1.01 -0.71 -5.03 121.20 119.76 1ia2 s ILE 62 Ca 0.25 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1ia2 s ILE 62 Cb 0.19 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 1ia2 s ILE 62 CO 0.46 0.29 1.43 -2.65 0.00 0.00 0.00 174.94 174.47 1ia2 n PRO 63 N 4.14 2.28 -0.14 2.79 -0.02 -1.26 -4.82 135.00 137.97 1ia2 n PRO 63 Ca -0.09 0.81 0.27 0.00 -2.02 0.00 0.00 63.50 62.47 1ia2 n PRO 63 Cb 0.51 -2.48 0.72 0.00 -0.02 0.00 0.00 33.50 32.23 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 3.84 0.00 0.00 -0.52 3.07 -1.94 0.33 115.11 119.89 1ia2 h GLN 64 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1ia2 h GLN 64 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1ia2 h GLN 64 CO 0.72 0.00 0.00 1.57 0.09 0.00 0.00 178.83 181.21 1ia2 h LYS 65 N 0.00 0.00 -0.48 0.06 -0.00 -2.02 -3.18 116.57 110.96 1ia2 h LYS 65 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.04 1ia2 h LYS 65 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.91 1ia2 h LYS 65 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 180.64 1ia2 n PHE 66 N -2.99 0.62 -4.38 0.07 3.72 0.11 -4.93 117.46 109.69 1ia2 n PHE 66 Ca 0.03 -0.31 -0.28 0.00 -0.05 0.00 0.00 57.45 56.84 1ia2 n PHE 66 Cb 0.45 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.38 1.38 0.88 -1.08 1.70 -1.17 -4.12 118.95 115.18 1ia2 s ARG 67 Ca 0.40 -1.36 -0.12 0.00 -0.47 0.00 0.00 55.73 54.18 1ia2 s ARG 67 Cb 0.22 -1.81 0.12 0.00 -0.57 0.00 0.00 34.95 32.92 1ia2 s ARG 67 CO 0.30 0.42 1.14 -1.25 -1.08 0.00 0.00 175.30 174.83 1ia2 s PRO 68 N -2.18 1.35 0.10 3.89 0.04 -1.26 -5.00 135.00 131.95 1ia2 s PRO 68 Ca 0.14 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 1ia2 s PRO 68 Cb -0.09 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1ia2 s PRO 68 CO 0.07 -2.05 1.68 -0.51 0.04 0.00 0.00 177.00 176.22 1ia2 s LEU 69 N -5.93 4.37 0.57 -3.56 1.43 -1.26 -4.90 118.68 109.40 1ia2 s LEU 69 Ca 0.63 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 56.12 1ia2 s LEU 69 Cb -0.14 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1ia2 s LEU 69 CO 0.53 -0.90 1.21 -2.16 0.23 0.00 0.00 176.35 175.26 1ia2 s PRO 70 N 2.31 3.08 -0.50 1.29 0.04 -1.26 -3.76 135.00 136.19 1ia2 s PRO 70 Ca 0.75 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1ia2 s PRO 70 Cb -0.42 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1ia2 s PRO 70 CO 0.33 -1.13 0.00 -0.25 0.04 0.00 0.00 177.00 175.99 1ia2 n ASP 71 N -1.42 -4.74 -3.94 6.66 10.43 -1.26 -4.98 116.55 117.30 1ia2 n ASP 71 Ca 0.13 0.12 -0.10 0.00 2.57 0.00 0.00 54.79 57.51 1ia2 n ASP 71 Cb 0.49 -2.66 -0.12 0.00 1.84 0.00 0.00 41.12 40.68 1ia2 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1ia2 s ARG 72 N -1.92 0.22 0.05 -1.24 0.52 -1.25 -4.52 118.95 110.82 1ia2 s ARG 72 Ca 0.00 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 1ia2 s ARG 72 Cb 0.00 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 1ia2 s ARG 72 CO 0.00 -0.04 1.03 -1.17 0.02 0.00 0.00 175.30 175.14 1ia2 s LEU 73 N -1.01 4.41 -0.17 2.53 2.96 -0.29 -4.82 118.68 122.28 1ia2 s LEU 73 Ca -0.11 1.79 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 1ia2 s LEU 73 Cb -0.07 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1ia2 s LEU 73 CO -0.01 -0.25 0.01 0.20 -1.32 0.00 0.00 176.35 174.98 1ia2 s ASN 74 N 0.70 5.15 -0.15 3.68 0.02 0.10 -0.88 114.94 123.57 1ia2 s ASN 74 Ca 0.52 -0.06 0.01 0.00 -1.02 0.00 0.00 52.86 52.31 1ia2 s ASN 74 Cb -0.24 -1.87 -0.00 0.00 0.02 0.00 0.00 41.25 39.17 1ia2 s ASN 74 CO 0.29 0.15 -0.17 -0.63 0.02 0.00 0.00 177.10 176.76 1ia2 s ILE 75 N 0.48 2.53 -0.07 0.60 1.01 -0.41 -0.97 121.20 124.37 1ia2 s ILE 75 Ca -0.00 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.88 1ia2 s ILE 75 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1ia2 s ILE 75 CO 0.02 0.53 -0.24 -0.63 0.00 0.00 0.00 174.94 174.62 1ia2 s ILE 76 N 0.75 1.96 -0.16 2.92 1.09 0.32 -1.79 121.20 126.30 1ia2 s ILE 76 Ca -0.07 -1.00 -0.09 0.00 -1.10 0.00 0.00 60.65 58.39 1ia2 s ILE 76 Cb -0.16 -1.67 -0.05 0.00 -1.06 0.00 0.00 42.46 39.53 1ia2 s ILE 76 CO 0.01 0.54 0.15 -0.76 -0.10 0.00 0.00 174.94 174.78 1ia2 s LEU 77 N 0.03 4.30 -0.11 2.97 1.43 -0.31 -1.54 118.68 125.44 1ia2 s LEU 77 Ca -0.08 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 1ia2 s LEU 77 Cb -0.15 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1ia2 s LEU 77 CO 0.05 0.29 0.39 -0.55 0.23 0.00 0.00 176.35 176.75 1ia2 s SER 78 N -0.30 -0.37 0.35 2.29 0.15 -0.85 -1.79 113.70 113.18 1ia2 s SER 78 Ca 0.12 0.61 0.27 0.00 0.70 0.00 0.00 55.95 57.65 1ia2 s SER 78 Cb -0.12 0.67 1.11 0.00 -1.71 0.00 0.00 66.02 65.98 1ia2 s SER 78 CO 0.01 -0.24 1.80 0.03 1.20 0.00 0.00 173.24 176.05 1ia2 h ARG 79 N 4.98 0.00 -0.02 5.44 3.08 -1.86 -2.96 114.38 123.04 1ia2 h ARG 79 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ia2 h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ia2 h ARG 79 CO 0.30 0.00 -0.21 0.43 -1.07 0.00 0.00 179.97 179.42 1ia2 n SER 80 N -2.51 1.82 -4.88 7.04 7.64 -1.26 -4.95 113.62 116.52 1ia2 n SER 80 Ca 0.02 -1.43 -0.30 0.00 1.01 0.00 0.00 58.87 58.17 1ia2 n SER 80 Cb 0.25 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1ia2 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ia2 s TYR 81 N -2.28 3.48 -0.06 1.43 2.02 -1.12 -5.08 117.35 115.75 1ia2 s TYR 81 Ca 0.27 0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 57.90 1ia2 s TYR 81 Cb 0.19 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1ia2 s TYR 81 CO 0.45 -0.08 0.05 -1.21 -1.57 0.00 0.00 175.55 173.18 1ia2 s GLU 82 N -3.90 3.06 0.01 -0.62 0.41 -1.26 -4.38 118.70 112.01 1ia2 s GLU 82 Ca 0.50 -0.41 -0.33 0.00 -0.41 0.00 0.00 54.97 54.32 1ia2 s GLU 82 Cb -0.10 -2.86 -0.11 0.00 -1.78 0.00 0.00 34.13 29.27 1ia2 s GLU 82 CO 0.33 0.69 1.84 0.09 -0.49 0.00 0.00 175.26 177.72 1ia2 n ASN 83 N 1.77 3.61 -3.67 -0.19 5.03 -1.26 -4.62 115.26 115.93 1ia2 n ASN 83 Ca -0.17 0.98 -0.13 0.00 0.87 0.00 0.00 54.58 56.14 1ia2 n ASN 83 Cb 0.53 -1.44 -0.08 0.00 -1.02 0.00 0.00 39.78 37.78 1ia2 n ASN 83 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ia2 s GLU 84 N 3.38 0.67 -0.37 3.52 2.12 -0.52 -5.01 118.70 122.49 1ia2 s GLU 84 Ca 0.88 0.87 -0.18 0.00 0.36 0.00 0.00 54.97 56.89 1ia2 s GLU 84 Cb -0.61 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1ia2 s GLU 84 CO 0.45 -0.09 0.51 0.42 -0.54 0.00 0.00 175.26 176.01 1ia2 s ILE 85 N 0.53 5.01 -0.06 -3.70 1.01 -1.26 -0.93 121.20 121.79 1ia2 s ILE 85 Ca -0.02 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1ia2 s ILE 85 Cb -0.05 -3.99 -0.18 0.00 0.01 0.00 0.00 42.46 38.25 1ia2 s ILE 85 CO -0.02 -0.28 0.89 0.40 0.00 0.00 0.00 174.94 175.92 1ia2 h ILE 86 N 5.66 1.09 -1.45 2.92 2.04 -1.40 -3.49 117.51 122.87 1ia2 h ILE 86 Ca -0.27 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1ia2 h ILE 86 Cb 1.12 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1ia2 h ILE 86 CO 0.79 0.30 0.00 -0.90 0.00 0.00 0.00 178.15 178.33 1ia2 n ASP 87 N -4.85 0.00 0.28 1.72 3.85 -1.04 -4.99 116.55 111.52 1ia2 n ASP 87 Ca -0.08 -0.45 0.16 0.00 -0.71 0.00 0.00 54.79 53.71 1ia2 n ASP 87 Cb 0.29 0.00 0.76 0.00 -1.35 0.00 0.00 41.12 40.82 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 0.00 0.00 0.00 -1.12 -0.00 -2.02 -3.14 116.42 110.14 1ia2 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ia2 h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ia2 h ASP 88 CO 0.00 0.06 -1.20 0.59 -0.00 0.00 0.00 179.24 178.69 1ia2 n ASN 89 N -3.26 1.00 -3.92 2.28 5.03 -1.26 -4.86 115.26 110.27 1ia2 n ASN 89 Ca -0.01 -0.47 -0.23 0.00 0.87 0.00 0.00 54.58 54.75 1ia2 n ASN 89 Cb 0.27 1.34 -0.17 0.00 -1.02 0.00 0.00 39.78 40.20 1ia2 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ia2 s ILE 90 N -2.78 0.75 0.01 2.41 1.01 -1.19 0.03 121.20 121.44 1ia2 s ILE 90 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1ia2 s ILE 90 Cb 0.11 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1ia2 s ILE 90 CO 0.66 0.29 -0.12 -0.63 0.00 0.00 0.00 174.94 175.13 1ia2 s ILE 91 N 1.09 0.97 -0.13 2.92 1.01 -0.14 -0.91 121.20 126.01 1ia2 s ILE 91 Ca -0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1ia2 s ILE 91 Cb -0.14 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1ia2 s ILE 91 CO -0.01 0.17 -0.03 -1.00 0.00 0.00 0.00 174.94 174.07 1ia2 s HIS 92 N -0.47 3.04 -0.00 3.97 3.76 -0.11 -0.52 115.29 124.96 1ia2 s HIS 92 Ca 0.03 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1ia2 s HIS 92 Cb -0.06 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1ia2 s HIS 92 CO 0.00 0.11 -0.15 0.00 -0.85 0.00 0.00 174.74 173.85 1ia2 s ALA 93 N -0.01 1.25 -1.42 -1.40 0.00 -0.59 -1.44 121.76 118.15 1ia2 s ALA 93 Ca 0.01 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.53 1ia2 s ALA 93 Cb -0.13 -0.30 0.29 0.00 0.00 0.00 0.00 23.12 22.97 1ia2 s ALA 93 CO 0.02 0.30 1.26 -1.13 0.00 0.00 0.00 175.76 176.21 1ia2 n SER 94 N 2.59 1.08 -3.75 0.00 3.41 -1.26 -2.02 113.62 113.67 1ia2 n SER 94 Ca -0.15 -0.87 -0.10 0.00 -0.26 0.00 0.00 58.87 57.49 1ia2 n SER 94 Cb 0.55 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.76 -0.21 0.16 4.04 1.04 -1.26 -4.61 113.70 110.10 1ia2 s SER 95 Ca 0.15 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1ia2 s SER 95 Cb 0.18 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.89 1ia2 s SER 95 CO 0.67 -1.00 1.79 0.40 0.98 0.00 0.00 173.24 176.08 1ia2 h ILE 96 N 2.27 1.16 -0.46 -1.02 2.04 -1.99 -1.93 117.51 117.58 1ia2 h ILE 96 Ca -0.30 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1ia2 h ILE 96 Cb 1.26 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1ia2 h ILE 96 CO 0.40 0.17 0.24 -0.33 0.00 0.00 0.00 178.15 178.63 1ia2 h GLU 97 N 0.67 0.46 -0.38 2.37 3.07 -1.99 -1.64 114.58 117.14 1ia2 h GLU 97 Ca 0.18 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1ia2 h GLU 97 Cb 0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1ia2 h GLU 97 CO -0.03 0.30 0.24 0.77 -1.40 0.00 0.00 179.01 178.89 1ia2 h SER 98 N 0.47 0.45 -0.95 1.42 0.02 -1.93 -2.92 113.55 110.11 1ia2 h SER 98 Ca 0.20 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1ia2 h SER 98 Cb 0.09 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 1ia2 h SER 98 CO -0.13 0.35 0.61 0.77 -1.14 0.00 0.00 176.83 177.28 1ia2 h SER 99 N 0.51 0.88 0.67 3.07 4.64 -0.51 0.11 113.55 122.91 1ia2 h SER 99 Ca 0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ia2 h SER 99 Cb -0.03 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1ia2 h SER 99 CO -0.03 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 1ia2 n LEU 100 N -4.56 0.06 -0.38 5.97 4.77 -0.71 -2.34 117.00 119.81 1ia2 n LEU 100 Ca 0.17 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1ia2 n LEU 100 Cb 0.32 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1ia2 n LEU 100 CO 0.30 -0.20 0.41 0.59 -1.33 0.00 0.00 177.39 177.16 1ia2 n ASN 101 N -1.56 1.62 -1.29 -1.43 5.03 0.35 -4.31 115.26 113.66 1ia2 n ASN 101 Ca 0.04 -1.26 0.03 0.00 0.87 0.00 0.00 54.58 54.27 1ia2 n ASN 101 Cb 0.22 0.38 0.28 0.00 -1.02 0.00 0.00 39.78 39.64 1ia2 n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ia2 n LEU 102 N -0.33 4.63 -1.85 3.41 4.77 -0.98 -4.63 117.00 122.03 1ia2 n LEU 102 Ca 0.10 -3.17 -0.21 0.00 -0.03 0.00 0.00 56.01 52.71 1ia2 n LEU 102 Cb 0.42 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1ia2 n LEU 102 CO 0.28 0.78 0.32 1.33 -1.33 0.00 0.00 177.39 178.78 1ia2 n VAL 103 N -0.39 2.58 0.25 4.08 0.24 -1.26 -4.82 118.33 119.01 1ia2 n VAL 103 Ca 0.28 -3.95 0.14 0.00 -2.04 0.00 0.00 64.34 58.78 1ia2 n VAL 103 Cb 1.06 -1.00 0.46 0.00 -1.47 0.00 0.00 33.84 32.89 1ia2 n VAL 103 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ia2 h SER 104 N 1.98 0.00 -0.37 -1.34 4.64 -1.91 -3.23 113.55 113.32 1ia2 h SER 104 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ia2 h SER 104 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1ia2 h SER 104 CO 0.72 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 177.19 1ia2 n ASP 105 N -3.13 3.19 -4.74 4.97 8.00 -1.26 -5.02 116.55 118.56 1ia2 n ASP 105 Ca 0.02 -1.92 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 1ia2 n ASP 105 Cb 0.41 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1ia2 n ASP 105 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ia2 s VAL 106 N -1.22 2.67 -0.06 2.53 -7.23 -1.22 -4.72 120.40 111.14 1ia2 s VAL 106 Ca 0.33 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1ia2 s VAL 106 Cb 0.19 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1ia2 s VAL 106 CO 0.26 -0.09 -0.06 -0.08 -0.31 0.00 0.00 175.10 174.81 1ia2 h GLU 107 N 1.46 0.00 -6.29 4.82 4.81 -1.17 -3.48 114.58 114.73 1ia2 h GLU 107 Ca -0.43 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.19 1ia2 h GLU 107 Cb 1.25 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1ia2 h GLU 107 CO 0.65 0.00 -0.75 1.03 -0.73 0.00 0.00 179.01 179.22 1ia2 s ARG 108 N -1.48 1.78 -0.15 1.92 0.52 -1.26 -4.61 118.95 115.66 1ia2 s ARG 108 Ca -0.05 -1.64 -0.00 0.00 -0.52 0.00 0.00 55.73 53.52 1ia2 s ARG 108 Cb 0.01 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1ia2 s ARG 108 CO 0.07 0.35 -0.14 0.08 0.02 0.00 0.00 175.30 175.69 1ia2 s VAL 109 N -2.29 2.82 -0.12 3.52 1.01 0.65 -1.59 120.40 124.39 1ia2 s VAL 109 Ca 0.28 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ia2 s VAL 109 Cb -0.06 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1ia2 s VAL 109 CO 0.15 0.51 -0.10 -0.36 0.00 0.00 0.00 175.10 175.30 1ia2 s PHE 110 N 0.73 2.87 -0.32 5.22 0.08 0.45 -1.37 117.98 125.64 1ia2 s PHE 110 Ca -0.06 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 1ia2 s PHE 110 Cb -0.15 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1ia2 s PHE 110 CO 0.01 -0.03 0.46 0.42 -0.10 0.00 0.00 175.22 175.99 1ia2 s ILE 111 N 0.03 5.08 -1.53 0.64 1.01 0.73 -0.76 121.20 126.39 1ia2 s ILE 111 Ca -0.03 0.38 0.17 0.00 0.00 0.00 0.00 60.65 61.18 1ia2 s ILE 111 Cb -0.14 -3.88 0.46 0.00 0.01 0.00 0.00 42.46 38.91 1ia2 s ILE 111 CO 0.04 -0.10 1.38 2.30 0.00 0.00 0.00 174.94 178.56 1ia2 n ILE 112 N 5.31 0.92 0.00 2.92 -5.35 0.34 -1.91 119.36 121.59 1ia2 n ILE 112 Ca -0.06 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1ia2 n ILE 112 Cb 0.49 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 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 1.10 0.90 0.00 3.28 0.00 -1.25 -4.95 105.19 104.27 1ia2 n GLY 113 Ca 0.18 -2.23 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 -1.21 1.55 0.22 -0.02 0.00 -1.26 -0.91 105.19 103.56 1ia2 n GLY 114 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.33 0.46 -0.44 4.61 0.00 -1.96 -0.64 119.26 119.96 1ia2 h ALA 115 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ia2 h ALA 115 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ia2 h ALA 115 CO 0.00 -0.42 0.22 1.49 0.00 0.00 0.00 179.25 180.55 1ia2 h GLU 116 N 0.05 0.63 -0.25 0.00 4.81 -1.95 -0.35 114.58 117.53 1ia2 h GLU 116 Ca 0.29 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1ia2 h GLU 116 Cb 0.45 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ia2 h GLU 116 CO -0.54 0.53 0.07 0.82 -0.73 0.00 0.00 179.01 179.16 1ia2 h ILE 117 N 0.58 1.20 -0.53 2.32 1.08 -1.73 -1.29 117.51 119.14 1ia2 h ILE 117 Ca 0.15 -0.66 0.10 0.00 -0.39 0.00 0.00 64.86 64.06 1ia2 h ILE 117 Cb 0.10 1.16 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 1ia2 h ILE 117 CO -0.02 0.22 0.04 1.88 -0.69 0.00 0.00 178.15 179.58 1ia2 h TYR 118 N 0.24 0.04 0.00 1.37 0.05 -0.99 0.65 116.97 118.33 1ia2 h TYR 118 Ca 0.08 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 1ia2 h TYR 118 Cb 0.26 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1ia2 h TYR 118 CO 0.01 -0.09 -0.19 -0.91 -1.05 0.00 0.00 178.16 175.93 1ia2 h ASN 119 N 0.16 0.00 0.76 3.88 2.35 -0.48 -2.43 115.58 119.82 1ia2 h ASN 119 Ca 0.27 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.77 1ia2 h ASN 119 Cb 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1ia2 h ASN 119 CO -0.41 0.19 -1.25 -0.33 -1.65 0.00 0.00 177.43 173.97 1ia2 h GLU 120 N 0.00 0.09 0.00 0.81 5.08 -0.31 -3.38 114.58 116.87 1ia2 h GLU 120 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ia2 h GLU 120 Cb 0.56 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ia2 h GLU 120 CO 0.03 0.97 -1.00 1.28 -1.00 0.00 0.00 179.01 179.29 1ia2 n LEU 121 N -3.35 0.85 -0.24 1.33 4.77 0.13 -4.46 117.00 116.03 1ia2 n LEU 121 Ca -0.07 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 1ia2 n LEU 121 Cb 0.99 -0.06 0.39 0.00 -2.33 0.00 0.00 43.42 42.41 1ia2 n LEU 121 CO 0.48 -0.19 1.22 -0.29 -1.33 0.00 0.00 177.39 177.29 1ia2 h ILE 122 N 0.00 0.86 -0.36 -0.08 6.09 -1.62 0.23 117.51 122.63 1ia2 h ILE 122 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1ia2 h ILE 122 Cb 0.99 0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.42 1ia2 h ILE 122 CO 0.00 0.12 0.00 0.59 -3.07 0.00 0.00 178.15 175.79 1ia2 n ASN 123 N -4.53 2.71 -4.69 2.19 5.03 -1.26 -4.92 115.26 109.78 1ia2 n ASN 123 Ca 0.16 -1.91 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 1ia2 n ASN 123 Cb 0.44 -0.24 -0.03 0.00 -1.02 0.00 0.00 39.78 38.93 1ia2 n ASN 123 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1ia2 s ASN 124 N -1.36 7.24 0.48 6.41 3.04 0.07 -4.91 114.94 125.90 1ia2 s ASN 124 Ca 0.36 1.52 0.30 0.00 0.04 0.00 0.00 52.86 55.09 1ia2 s ASN 124 Cb 0.20 -2.55 1.66 0.00 -1.54 0.00 0.00 41.25 39.01 1ia2 s ASN 124 CO 0.28 -0.40 1.92 0.77 -3.04 0.00 0.00 177.10 176.64 1ia2 h SER 125 N 7.04 0.00 1.32 -4.21 4.64 -1.91 -0.86 113.55 119.57 1ia2 h SER 125 Ca -0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1ia2 h SER 125 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ia2 h SER 125 CO 0.83 0.00 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.58 1ia2 h LEU 126 N 0.00 0.00 -8.87 5.97 3.38 -1.92 -3.42 115.31 110.45 1ia2 h LEU 126 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1ia2 h LEU 126 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1ia2 h LEU 126 CO 0.00 0.14 0.65 -0.69 0.09 0.00 0.00 178.44 178.62 1ia2 s VAL 127 N -3.44 4.58 -0.60 1.22 1.01 -0.33 -3.89 120.40 118.95 1ia2 s VAL 127 Ca 0.03 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1ia2 s VAL 127 Cb 0.08 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1ia2 s VAL 127 CO 0.63 -0.50 0.60 -1.54 0.00 0.00 0.00 175.10 174.30 1ia2 n SER 128 N 6.75 1.26 -3.87 3.32 3.41 -0.66 -4.92 113.62 118.91 1ia2 n SER 128 Ca 0.08 -1.13 -0.11 0.00 -0.26 0.00 0.00 58.87 57.44 1ia2 n SER 128 Cb 0.48 0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.60 -0.00 -0.17 7.33 3.76 -1.24 -4.31 115.29 120.06 1ia2 s HIS 129 Ca 0.06 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1ia2 s HIS 129 Cb 0.04 -0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.72 1ia2 s HIS 129 CO 0.09 -0.10 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.19 1ia2 s LEU 130 N -0.44 2.33 -0.45 0.89 1.43 -0.64 -1.92 118.68 119.88 1ia2 s LEU 130 Ca -0.05 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1ia2 s LEU 130 Cb -0.03 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.74 1ia2 s LEU 130 CO 0.00 0.05 0.33 -0.76 0.23 0.00 0.00 176.35 176.20 1ia2 s LEU 131 N 1.03 5.43 -0.20 1.79 1.02 0.17 -0.83 118.68 127.09 1ia2 s LEU 131 Ca -0.01 -1.51 -0.03 0.00 0.02 0.00 0.00 54.13 52.59 1ia2 s LEU 131 Cb -0.15 -2.07 -0.01 0.00 0.02 0.00 0.00 46.19 43.99 1ia2 s LEU 131 CO -0.05 -0.61 -0.05 -0.63 0.02 0.00 0.00 176.35 175.03 1ia2 s ILE 132 N 1.50 3.41 -0.32 -0.59 1.01 -0.99 -1.39 121.20 123.82 1ia2 s ILE 132 Ca 0.04 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1ia2 s ILE 132 Cb -0.24 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1ia2 s ILE 132 CO 0.03 0.45 0.80 -0.89 0.00 0.00 0.00 174.94 175.32 1ia2 s THR 133 N 1.17 4.77 -0.38 2.92 2.01 0.42 -1.55 115.64 125.01 1ia2 s THR 133 Ca 0.02 1.14 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 1ia2 s THR 133 Cb -0.14 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1ia2 s THR 133 CO -0.01 -0.29 0.55 -1.61 -0.69 0.00 0.00 174.62 172.56 1ia2 s GLU 134 N 3.01 3.48 -0.04 4.92 2.02 -0.02 -1.28 118.70 130.79 1ia2 s GLU 134 Ca 0.33 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 54.98 1ia2 s GLU 134 Cb -0.14 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 1ia2 s GLU 134 CO 0.13 -0.76 0.23 0.42 0.02 0.00 0.00 175.26 175.30 1ia2 s ILE 135 N 2.49 5.36 0.06 -1.63 1.01 -0.05 -2.03 121.20 126.40 1ia2 s ILE 135 Ca 0.19 0.24 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1ia2 s ILE 135 Cb -0.15 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1ia2 s ILE 135 CO 0.15 0.49 -0.11 -1.61 0.00 0.00 0.00 174.94 173.86 1ia2 s GLU 136 N -1.41 0.67 0.01 2.79 2.02 0.18 -1.16 118.70 121.79 1ia2 s GLU 136 Ca 0.22 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.29 1ia2 s GLU 136 Cb -0.13 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.55 1ia2 s GLU 136 CO 0.11 0.11 0.14 -1.58 0.02 0.00 0.00 175.26 174.06 1ia2 s HIS 137 N -1.33 0.05 0.35 1.61 2.46 -1.26 -0.92 115.29 116.25 1ia2 s HIS 137 Ca -0.06 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.37 1ia2 s HIS 137 Cb -0.10 -0.05 0.76 0.00 -0.13 0.00 0.00 32.58 33.05 1ia2 s HIS 137 CO 0.01 -0.30 1.92 -1.35 -2.47 0.00 0.00 174.74 172.55 1ia2 h PRO 138 N 4.21 0.73 -2.23 2.88 0.11 -2.01 -3.33 132.00 132.36 1ia2 h PRO 138 Ca -0.31 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.22 1ia2 h PRO 138 Cb 1.19 -0.16 -0.36 0.00 0.11 0.00 0.00 31.00 31.78 1ia2 h PRO 138 CO 0.41 0.48 -0.91 -1.54 -0.21 0.00 0.00 178.00 176.23 1ia2 s SER 139 N -6.01 1.21 0.57 -2.05 1.04 -1.26 -5.00 113.70 102.20 1ia2 s SER 139 Ca -0.10 -2.84 0.26 0.00 0.48 0.00 0.00 55.95 53.76 1ia2 s SER 139 Cb 0.20 -0.17 1.58 0.00 0.10 0.00 0.00 66.02 67.73 1ia2 s SER 139 CO 0.78 -0.17 2.10 1.55 0.98 0.00 0.00 173.24 178.48 1ia2 h PRO 140 N 5.70 0.00 0.00 4.02 0.13 -1.90 -0.96 132.00 138.99 1ia2 h PRO 140 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1ia2 h PRO 140 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1ia2 h PRO 140 CO 0.32 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.14 1ia2 h GLU 141 N 0.00 0.00 0.00 0.86 9.09 -1.94 -1.75 114.58 120.84 1ia2 h GLU 141 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1ia2 h GLU 141 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1ia2 h GLU 141 CO -0.00 0.00 0.00 0.77 0.05 0.00 0.00 179.01 179.83 1ia2 h SER 142 N 0.00 0.00 -3.60 3.06 0.02 -1.61 -3.43 113.55 107.99 1ia2 h SER 142 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1ia2 h SER 142 Cb 0.35 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.76 1ia2 h SER 142 CO 0.00 0.00 -0.21 -0.63 -1.14 0.00 0.00 176.83 174.85 1ia2 s ILE 143 N -3.20 5.18 -0.05 3.27 -1.09 -0.66 -5.04 121.20 119.61 1ia2 s ILE 143 Ca 0.08 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 1ia2 s ILE 143 Cb 0.09 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1ia2 s ILE 143 CO 0.60 0.19 1.07 -1.61 -1.23 0.00 0.00 174.94 173.97 1ia2 s GLU 144 N 1.75 4.44 0.06 2.79 2.02 -1.26 -5.04 118.70 123.46 1ia2 s GLU 144 Ca 0.17 1.52 -0.17 0.00 0.02 0.00 0.00 54.97 56.51 1ia2 s GLU 144 Cb -0.15 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.61 1ia2 s GLU 144 CO 0.09 -0.28 0.39 0.00 0.02 0.00 0.00 175.26 175.48 1ia2 s MET 145 N 1.71 0.94 0.00 1.61 0.23 -1.26 -4.65 119.30 117.87 1ia2 s MET 145 Ca 0.52 -0.48 0.00 0.00 -1.03 0.00 0.00 55.69 54.71 1ia2 s MET 145 Cb -0.22 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 1ia2 s MET 145 CO 0.23 -0.33 0.11 -0.40 -2.03 0.00 0.00 175.02 172.60 1ia2 n ASP 146 N 0.33 0.23 -4.06 -1.18 5.68 -0.78 -5.00 116.55 111.77 1ia2 n ASP 146 Ca -0.18 -0.58 -0.24 0.00 -0.50 0.00 0.00 54.79 53.28 1ia2 n ASP 146 Cb 0.61 0.29 -0.16 0.00 -1.14 0.00 0.00 41.12 40.72 1ia2 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ia2 s THR 147 N -0.29 1.19 0.10 2.12 2.01 -1.12 -5.03 115.64 114.62 1ia2 s THR 147 Ca 0.00 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1ia2 s THR 147 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1ia2 s THR 147 CO 0.00 0.36 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.92 1ia2 s PHE 148 N 0.35 0.76 0.16 4.92 0.40 -1.26 -0.98 117.98 122.33 1ia2 s PHE 148 Ca -0.09 -1.09 -0.20 0.00 -0.60 0.00 0.00 56.93 54.94 1ia2 s PHE 148 Cb -0.13 -0.47 -0.08 0.00 0.51 0.00 0.00 43.02 42.85 1ia2 s PHE 148 CO 0.03 -0.37 0.68 -0.51 0.70 0.00 0.00 175.22 175.75 1ia2 s LEU 149 N -3.01 4.45 -0.55 -0.37 1.43 -0.71 -4.91 118.68 115.02 1ia2 s LEU 149 Ca 0.15 1.41 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 1ia2 s LEU 149 Cb 0.07 -3.31 0.27 0.00 0.03 0.00 0.00 46.19 43.26 1ia2 s LEU 149 CO -0.04 0.14 0.73 0.29 0.23 0.00 0.00 176.35 177.71 1ia2 n LYS 150 N 1.20 2.13 -4.24 1.70 4.76 -1.26 -4.92 118.16 117.52 1ia2 n LYS 150 Ca -0.05 -4.28 -0.35 0.00 -2.87 0.00 0.00 58.31 50.76 1ia2 n LYS 150 Cb 0.50 -1.97 -0.09 0.00 -1.84 0.00 0.00 35.03 31.63 1ia2 n LYS 150 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ia2 s PHE 151 N -2.37 3.26 -1.31 2.13 0.08 -1.26 -4.96 117.98 113.55 1ia2 s PHE 151 Ca 0.41 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.59 1ia2 s PHE 151 Cb 0.19 -1.85 0.14 0.00 -0.57 0.00 0.00 43.02 40.93 1ia2 s PHE 151 CO -0.06 0.49 1.89 -0.35 -0.10 0.00 0.00 175.22 177.09 1ia2 n PRO 152 N 2.24 3.41 0.13 0.24 -0.04 -1.26 -4.77 135.00 134.95 1ia2 n PRO 152 Ca -0.19 -3.36 0.19 0.00 -0.04 0.00 0.00 63.50 60.11 1ia2 n PRO 152 Cb 0.54 -3.05 0.73 0.00 -0.04 0.00 0.00 33.50 31.68 1ia2 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ia2 h LEU 153 N 8.79 0.00 -0.81 1.53 4.07 -1.95 0.14 115.31 127.08 1ia2 h LEU 153 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1ia2 h LEU 153 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1ia2 h LEU 153 CO 1.63 0.00 0.00 1.05 -1.08 0.00 0.00 178.44 180.04 1ia2 h GLU 154 N 0.00 0.00 -0.37 1.13 9.09 -2.03 -2.21 114.58 120.19 1ia2 h GLU 154 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1ia2 h GLU 154 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1ia2 h GLU 154 CO -0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ia2 n SER 155 N -2.40 2.98 -4.34 3.06 7.64 0.49 -4.92 113.62 116.12 1ia2 n SER 155 Ca 0.02 -1.93 -0.18 0.00 1.01 0.00 0.00 58.87 57.79 1ia2 n SER 155 Cb 0.25 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.52 1.68 -0.07 1.43 0.52 -0.83 -1.31 118.94 118.84 1ia2 s TRP 156 Ca 0.37 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.95 1ia2 s TRP 156 Cb 0.21 -0.79 0.01 0.00 -1.15 0.00 0.00 33.47 31.75 1ia2 s TRP 156 CO 0.30 0.33 -0.14 0.99 0.02 0.00 0.00 176.95 178.45 1ia2 s THR 157 N -2.88 1.24 -0.03 2.01 2.01 0.16 -4.80 115.64 113.35 1ia2 s THR 157 Ca 0.21 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 1ia2 s THR 157 Cb -0.01 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1ia2 s THR 157 CO 0.06 0.38 0.89 -0.75 -0.69 0.00 0.00 174.62 174.51 1ia2 s LYS 158 N 0.57 4.51 0.42 4.92 2.20 -1.26 -1.29 119.74 129.80 1ia2 s LYS 158 Ca -0.14 1.24 -0.06 0.00 -0.36 0.00 0.00 55.97 56.66 1ia2 s LYS 158 Cb -0.15 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1ia2 s LYS 158 CO 0.04 -0.03 0.72 -0.65 -0.36 0.00 0.00 175.35 175.06 1ia2 s GLN 159 N 1.02 3.60 0.71 4.03 -1.52 0.31 -4.99 119.66 122.83 1ia2 s GLN 159 Ca 0.47 0.17 -0.15 0.00 -1.95 0.00 0.00 55.36 53.90 1ia2 s GLN 159 Cb -0.20 -2.46 0.03 0.00 -0.22 0.00 0.00 33.01 30.17 1ia2 s GLN 159 CO 0.24 -0.06 1.16 -2.14 -0.25 0.00 0.00 175.29 174.24 1ia2 s PRO 160 N -4.30 2.35 0.35 2.91 0.02 -1.26 -4.58 135.00 130.48 1ia2 s PRO 160 Ca 0.47 1.59 0.11 0.00 0.02 0.00 0.00 61.00 63.19 1ia2 s PRO 160 Cb -0.10 -1.88 0.88 0.00 0.02 0.00 0.00 34.50 33.42 1ia2 s PRO 160 CO 0.38 -1.64 1.81 -0.22 -0.33 0.00 0.00 177.00 177.01 1ia2 h LYS 161 N -0.26 0.61 -0.77 5.54 3.64 -1.97 0.81 116.57 124.17 1ia2 h LYS 161 Ca -0.47 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.03 1ia2 h LYS 161 Cb 1.27 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1ia2 h LYS 161 CO 0.51 0.40 0.51 0.66 -2.27 0.00 0.00 179.45 179.27 1ia2 h SER 162 N 0.63 0.37 0.18 4.20 4.64 -1.99 0.39 113.55 121.96 1ia2 h SER 162 Ca 0.53 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.65 1ia2 h SER 162 Cb 1.00 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1ia2 h SER 162 CO -0.29 0.18 -0.88 -0.33 -0.87 0.00 0.00 176.83 174.65 1ia2 h GLU 163 N 0.39 0.52 -0.45 4.77 4.39 -1.19 -2.13 114.58 120.88 1ia2 h GLU 163 Ca 0.38 -0.50 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1ia2 h GLU 163 Cb 0.92 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1ia2 h GLU 163 CO -0.12 1.14 -0.19 1.25 -1.16 0.00 0.00 179.01 179.92 1ia2 h LEU 164 N 0.32 0.91 -1.33 1.33 5.85 -0.93 -1.59 115.31 119.87 1ia2 h LEU 164 Ca -0.07 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1ia2 h LEU 164 Cb 1.50 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1ia2 h LEU 164 CO 0.16 1.08 0.30 -0.61 -0.34 0.00 0.00 178.44 179.02 1ia2 h GLN 165 N 0.78 0.75 -0.55 1.25 5.75 -0.15 -0.98 115.11 121.96 1ia2 h GLN 165 Ca 0.11 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 1ia2 h GLN 165 Cb 0.74 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 1ia2 h GLN 165 CO 0.06 0.56 -0.04 0.87 -2.65 0.00 0.00 178.83 177.62 1ia2 h LYS 166 N 0.76 0.98 -0.28 1.69 1.57 -0.92 -2.29 116.57 118.08 1ia2 h LYS 166 Ca 0.20 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ia2 h LYS 166 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1ia2 h LYS 166 CO -0.03 0.99 0.10 0.35 -0.57 0.00 0.00 179.45 180.29 1ia2 h PHE 167 N 0.89 0.44 -0.00 -1.35 3.04 -0.26 -3.21 116.94 116.49 1ia2 h PHE 167 Ca 0.15 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1ia2 h PHE 167 Cb 0.58 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1ia2 h PHE 167 CO 0.04 0.46 -0.17 1.33 -2.02 0.00 0.00 178.31 177.95 1ia2 n VAL 168 N -4.73 0.00 0.00 1.41 0.24 -0.49 -5.02 118.33 109.73 1ia2 n VAL 168 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ia2 n VAL 168 Cb 0.15 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 2.14 0.01 7.63 0.00 -0.87 -3.00 105.19 112.53 1ia2 n GLY 169 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1ia2 n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ia2 n ASP 170 N 6.79 0.03 -4.67 1.61 3.85 -1.26 -4.79 116.55 118.11 1ia2 n ASP 170 Ca 0.00 0.51 -0.45 0.00 -0.71 0.00 0.00 54.79 54.14 1ia2 n ASP 170 Cb 0.00 -0.51 -0.03 0.00 -1.35 0.00 0.00 41.12 39.23 1ia2 n ASP 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1ia2 n THR 171 N -1.53 1.05 -2.73 2.12 -1.04 -1.16 -4.93 114.28 106.05 1ia2 n THR 171 Ca 0.05 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1ia2 n THR 171 Cb 0.24 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.17 4.83 -0.51 12.58 1.01 -1.26 -5.01 120.40 131.87 1ia2 s VAL 172 Ca 0.67 1.98 -0.03 0.00 0.00 0.00 0.00 61.98 64.60 1ia2 s VAL 172 Cb -0.66 -4.28 0.13 0.00 0.00 0.00 0.00 36.38 31.57 1ia2 s VAL 172 CO 0.51 0.06 0.32 -0.76 0.00 0.00 0.00 175.10 175.22 1ia2 s LEU 173 N 1.73 5.27 0.26 3.92 1.43 -1.26 -5.10 118.68 124.93 1ia2 s LEU 173 Ca 0.48 -2.39 -0.19 0.00 -1.03 0.00 0.00 54.13 50.99 1ia2 s LEU 173 Cb -0.19 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1ia2 s LEU 173 CO 0.20 -0.47 0.75 -1.61 0.23 0.00 0.00 176.35 175.44 1ia2 s GLU 174 N 0.61 4.22 0.14 1.70 2.02 -1.26 -5.07 118.70 121.06 1ia2 s GLU 174 Ca 0.12 0.86 -0.08 0.00 0.02 0.00 0.00 54.97 55.89 1ia2 s GLU 174 Cb -0.22 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.19 1ia2 s GLU 174 CO -0.04 0.32 0.43 -0.51 0.02 0.00 0.00 175.26 175.49 1ia2 s ASP 175 N -1.80 6.60 -1.26 -0.19 1.01 -1.26 -4.60 116.67 115.17 1ia2 s ASP 175 Ca 0.46 0.77 -0.17 0.00 0.71 0.00 0.00 52.55 54.33 1ia2 s ASP 175 Cb -0.15 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.62 1ia2 s ASP 175 CO 0.20 0.08 0.61 0.47 0.21 0.00 0.00 175.17 176.74 1ia2 n ASP 176 N 0.41 -3.20 -4.74 0.27 10.43 -1.21 -4.89 116.55 113.61 1ia2 n ASP 176 Ca -0.04 -1.09 -0.41 0.00 2.57 0.00 0.00 54.79 55.81 1ia2 n ASP 176 Cb 0.52 -2.80 -0.03 0.00 1.84 0.00 0.00 41.12 40.66 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 -3.68 3.06 -0.14 0.53 1.01 -0.13 -4.72 121.20 117.13 1ia2 s ILE 177 Ca 0.31 0.89 -0.03 0.00 0.00 0.00 0.00 60.65 61.82 1ia2 s ILE 177 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1ia2 s ILE 177 CO 0.90 0.14 -0.04 -0.54 0.00 0.00 0.00 174.94 175.40 1ia2 s LYS 178 N -0.30 3.53 -0.21 2.79 1.02 -1.26 -0.72 119.74 124.58 1ia2 s LYS 178 Ca 0.56 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 1ia2 s LYS 178 Cb -0.38 -2.86 0.09 0.00 -0.52 0.00 0.00 37.83 34.16 1ia2 s LYS 178 CO 0.40 0.31 0.16 -1.21 -0.92 0.00 0.00 175.35 174.09 1ia2 s GLU 179 N 0.17 0.15 6.47 1.68 2.02 -0.43 -5.03 118.70 123.75 1ia2 s GLU 179 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1ia2 s GLU 179 Cb -0.14 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.69 1ia2 s GLU 179 CO 0.03 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1ia2 n GLY 180 N 5.29 2.30 0.18 -1.39 0.00 -1.26 -1.94 105.19 108.38 1ia2 n GLY 180 Ca -0.06 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 4.19 0.81 -4.87 1.61 10.43 -1.26 -4.91 116.55 122.55 1ia2 n ASP 181 Ca 0.00 -0.72 -0.32 0.00 2.57 0.00 0.00 54.79 56.33 1ia2 n ASP 181 Cb 0.00 0.08 -0.05 0.00 1.84 0.00 0.00 41.12 42.98 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 -2.55 3.42 -0.03 1.24 0.08 -0.82 -4.22 117.98 115.10 1ia2 s PHE 182 Ca 0.24 0.93 0.01 0.00 0.12 0.00 0.00 56.93 58.23 1ia2 s PHE 182 Cb 0.19 -2.30 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1ia2 s PHE 182 CO 0.53 0.23 -0.03 0.99 -0.10 0.00 0.00 175.22 176.83 1ia2 s THR 183 N -1.87 0.39 0.09 0.64 2.01 -0.10 -1.31 115.64 115.49 1ia2 s THR 183 Ca 0.48 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.34 1ia2 s THR 183 Cb -0.11 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 1ia2 s THR 183 CO 0.21 0.18 0.16 -0.72 -0.69 0.00 0.00 174.62 173.76 1ia2 s TYR 184 N 0.78 0.23 0.03 4.92 1.13 0.10 0.51 117.35 125.05 1ia2 s TYR 184 Ca -0.09 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 54.91 1ia2 s TYR 184 Cb -0.12 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 1ia2 s TYR 184 CO -0.00 -0.53 -0.06 -0.80 -2.51 0.00 0.00 175.55 171.65 1ia2 s ASN 185 N -2.88 0.57 0.08 -0.18 -0.87 -0.86 -0.96 114.94 109.85 1ia2 s ASN 185 Ca 0.06 -0.49 -0.21 0.00 -1.57 0.00 0.00 52.86 50.66 1ia2 s ASN 185 Cb 0.05 0.05 -0.07 0.00 -0.02 0.00 0.00 41.25 41.27 1ia2 s ASN 185 CO -0.10 -0.22 0.61 -0.31 -2.57 0.00 0.00 177.10 174.51 1ia2 s TYR 186 N -1.30 3.81 0.09 2.20 2.02 -1.26 -0.84 117.35 122.08 1ia2 s TYR 186 Ca -0.11 1.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.94 1ia2 s TYR 186 Cb -0.09 -2.56 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 1ia2 s TYR 186 CO -0.00 0.55 -0.07 0.95 -1.57 0.00 0.00 175.55 175.41 1ia2 s THR 187 N -1.01 0.66 -0.03 -0.71 -4.23 -0.59 -4.96 115.64 104.77 1ia2 s THR 187 Ca 0.30 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1ia2 s THR 187 Cb -0.20 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.05 1ia2 s THR 187 CO 0.20 -0.84 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.12 1ia2 s LEU 188 N -2.93 1.74 0.05 4.79 2.96 -1.26 -2.36 118.68 121.67 1ia2 s LEU 188 Ca 0.10 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1ia2 s LEU 188 Cb 0.04 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 1ia2 s LEU 188 CO -0.05 0.06 -0.15 0.26 -1.32 0.00 0.00 176.35 175.15 1ia2 s TRP 189 N 0.30 1.30 0.18 5.38 0.52 -0.01 -0.53 118.94 126.08 1ia2 s TRP 189 Ca -0.05 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.72 1ia2 s TRP 189 Cb -0.10 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.41 1ia2 s TRP 189 CO 0.01 0.06 -0.07 0.95 0.02 0.00 0.00 176.95 177.92 1ia2 s THR 190 N -0.99 1.16 0.53 2.01 -4.23 -0.41 -1.62 115.64 112.10 1ia2 s THR 190 Ca 0.01 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.26 1ia2 s THR 190 Cb -0.09 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 1ia2 s THR 190 CO 0.02 -0.59 1.16 -0.13 -0.54 0.00 0.00 174.62 174.54 1ia2 s ARG 191 N -3.78 3.37 0.00 3.99 0.52 -1.26 0.38 118.95 122.17 1ia2 s ARG 191 Ca 0.21 1.72 0.29 0.00 -0.52 0.00 0.00 55.73 57.43 1ia2 s ARG 191 Cb 0.03 -2.10 1.27 0.00 0.52 0.00 0.00 34.95 34.67 1ia2 s ARG 191 CO 0.04 -0.86 1.87 1.63 0.02 0.00 0.00 175.30 177.99