#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia3 s LEU 2 N 0.00 4.16 -1.08 -0.89 2.96 -1.26 -4.20 118.68 118.38 1ia3 s LEU 2 Ca 0.00 0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 54.13 1ia3 s LEU 2 Cb 0.00 -2.41 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1ia3 s LEU 2 CO 0.00 -0.02 0.39 0.29 -1.32 0.00 0.00 176.35 175.70 1ia3 n LYS 3 N 4.27 -0.52 -1.40 1.98 4.76 -1.26 -4.93 118.16 121.06 1ia3 n LYS 3 Ca -0.10 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.00 1ia3 n LYS 3 Cb 0.51 -2.14 0.08 0.00 -1.84 0.00 0.00 35.03 31.65 1ia3 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ia3 s PRO 4 N -6.93 2.29 0.10 1.97 0.04 -1.26 -5.00 135.00 126.21 1ia3 s PRO 4 Ca 0.29 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1ia3 s PRO 4 Cb -0.16 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1ia3 s PRO 4 CO 0.81 -1.65 0.97 -0.80 0.04 0.00 0.00 177.00 176.37 1ia3 s ASN 5 N -2.80 7.47 0.12 6.66 0.01 -1.26 -4.87 114.94 120.27 1ia3 s ASN 5 Ca 0.66 1.80 0.10 0.00 -0.71 0.00 0.00 52.86 54.71 1ia3 s ASN 5 Cb -0.21 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1ia3 s ASN 5 CO 0.49 -0.09 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.05 1ia3 s VAL 6 N 0.08 2.37 0.07 1.60 1.01 -0.47 -4.35 120.40 120.71 1ia3 s VAL 6 Ca 0.48 -1.66 0.09 0.00 0.00 0.00 0.00 61.98 60.88 1ia3 s VAL 6 Cb -0.23 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1ia3 s VAL 6 CO 0.30 0.13 -0.24 0.00 0.00 0.00 0.00 175.10 175.29 1ia3 s ALA 7 N -1.05 2.04 -0.12 5.51 0.00 -0.45 -0.91 121.76 126.79 1ia3 s ALA 7 Ca 0.15 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1ia3 s ALA 7 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1ia3 s ALA 7 CO 0.06 0.46 0.08 0.42 0.00 0.00 0.00 175.76 176.79 1ia3 s ILE 8 N -0.89 5.02 -0.09 0.00 1.01 -0.40 -0.14 121.20 125.70 1ia3 s ILE 8 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1ia3 s ILE 8 Cb -0.10 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1ia3 s ILE 8 CO 0.03 0.59 -0.16 -0.51 0.00 0.00 0.00 174.94 174.89 1ia3 s ILE 9 N -0.78 1.52 0.07 2.92 2.07 -0.52 -0.33 121.20 126.15 1ia3 s ILE 9 Ca 0.13 -0.68 -0.16 0.00 -1.41 0.00 0.00 60.65 58.52 1ia3 s ILE 9 Cb -0.12 -1.36 0.03 0.00 0.13 0.00 0.00 42.46 41.14 1ia3 s ILE 9 CO 0.03 0.44 0.38 0.54 -1.91 0.00 0.00 174.94 174.42 1ia3 s VAL 10 N 0.74 0.07 -0.15 4.00 0.11 -0.44 -4.59 120.40 120.14 1ia3 s VAL 10 Ca -0.12 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1ia3 s VAL 10 Cb -0.16 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1ia3 s VAL 10 CO 0.02 -0.31 -0.19 0.00 -3.33 0.00 0.00 175.10 171.30 1ia3 s ALA 11 N -2.96 2.37 0.00 1.54 0.00 -1.26 -0.37 121.76 121.07 1ia3 s ALA 11 Ca -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1ia3 s ALA 11 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1ia3 s ALA 11 CO -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 175.76 175.67 1ia3 s ALA 12 N 0.82 0.00 -0.16 0.00 0.00 -0.30 -4.69 121.76 117.42 1ia3 s ALA 12 Ca -0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 1ia3 s ALA 12 Cb -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ia3 s ALA 12 CO -0.01 -0.06 0.62 -1.17 0.00 0.00 0.00 175.76 175.14 1ia3 s LEU 13 N -0.51 4.20 0.44 0.00 2.96 -0.51 -1.07 118.68 124.18 1ia3 s LEU 13 Ca -0.06 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 54.58 1ia3 s LEU 13 Cb -0.04 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.66 1ia3 s LEU 13 CO -0.00 -0.20 0.91 -0.54 -1.32 0.00 0.00 176.35 175.19 1ia3 s LYS 14 N 1.51 4.06 0.11 1.98 1.02 0.54 -0.50 119.74 128.47 1ia3 s LYS 14 Ca 0.30 0.93 0.23 0.00 0.02 0.00 0.00 55.97 57.45 1ia3 s LYS 14 Cb -0.16 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1ia3 s LYS 14 CO 0.12 -0.08 1.01 -0.35 -0.92 0.00 0.00 175.35 175.13 1ia3 n PRO 15 N -0.97 0.46 0.07 -1.68 -0.04 -1.26 -4.71 135.00 126.88 1ia3 n PRO 15 Ca 0.06 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1ia3 n PRO 15 Cb 0.54 -1.69 0.46 0.00 -0.04 0.00 0.00 33.50 32.77 1ia3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia3 n ALA 16 N -2.02 2.07 -3.17 0.55 0.00 -1.24 -4.92 120.51 111.78 1ia3 n ALA 16 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1ia3 n ALA 16 Cb 0.50 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.60 1ia3 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ia3 n LEU 17 N -1.99 -3.60 -4.75 0.00 4.77 0.35 -4.54 117.00 107.23 1ia3 n LEU 17 Ca 0.05 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.13 1ia3 n LEU 17 Cb 0.33 -2.61 -0.04 0.00 -2.33 0.00 0.00 43.42 38.78 1ia3 n LEU 17 CO 0.25 0.32 0.86 -0.83 -1.33 0.00 0.00 177.39 176.66 1ia3 s GLY 18 N -4.03 2.90 0.00 -0.72 0.00 -1.04 -0.95 107.32 103.48 1ia3 s GLY 18 Ca 0.04 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1ia3 s GLY 18 CO 0.59 1.71 0.00 0.29 0.00 0.00 0.00 173.10 175.69 1ia3 n ILE 19 N 1.64 0.00 -3.69 0.90 -5.35 -0.52 -1.43 119.36 110.91 1ia3 n ILE 19 Ca 0.01 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1ia3 n ILE 19 Cb 0.44 0.92 -0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1ia3 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ia3 s GLY 20 N -0.91 -0.33 -0.23 3.28 0.00 -1.23 -4.53 107.32 103.35 1ia3 s GLY 20 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 44.72 45.16 1ia3 s GLY 20 CO 0.00 0.55 0.31 -0.47 0.00 0.00 0.00 173.10 173.49 1ia3 s TYR 21 N -2.59 -0.60 -1.33 1.90 6.14 0.25 -0.59 117.35 120.53 1ia3 s TYR 21 Ca 0.15 0.52 -0.01 0.00 0.64 0.00 0.00 57.07 58.37 1ia3 s TYR 21 Cb 0.03 -0.16 -0.00 0.00 0.42 0.00 0.00 41.96 42.24 1ia3 s TYR 21 CO -0.02 -0.70 0.61 0.36 0.64 0.00 0.00 175.55 176.45 1ia3 n LYS 22 N 5.34 -4.19 -0.86 4.97 2.85 -1.26 -2.32 118.16 122.70 1ia3 n LYS 22 Ca -0.04 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 1ia3 n LYS 22 Cb 0.50 -4.93 0.00 0.00 -0.65 0.00 0.00 35.03 29.95 1ia3 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ia3 n GLY 23 N -1.71 0.83 3.17 2.58 0.00 -1.26 -5.03 105.19 103.77 1ia3 n GLY 23 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1ia3 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ia3 s LYS 24 N -0.14 0.82 0.08 1.61 0.00 -0.98 -5.08 119.74 116.05 1ia3 s LYS 24 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 55.97 54.50 1ia3 s LYS 24 Cb 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 37.83 37.32 1ia3 s LYS 24 CO 0.00 0.06 1.21 -1.64 0.00 0.00 0.00 175.35 174.97 1ia3 s MET 25 N -2.91 4.44 0.00 1.78 -1.94 -1.26 -0.59 119.30 118.82 1ia3 s MET 25 Ca 0.06 1.80 0.04 0.00 -1.71 0.00 0.00 55.69 55.88 1ia3 s MET 25 Cb -0.02 -3.33 0.25 0.00 2.01 0.00 0.00 34.83 33.75 1ia3 s MET 25 CO -0.01 -0.24 0.68 -2.30 -0.01 0.00 0.00 175.02 173.14 1ia3 n PRO 26 N 3.71 0.42 -3.97 2.03 -0.02 -1.26 -4.76 135.00 131.16 1ia3 n PRO 26 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1ia3 n PRO 26 Cb 0.46 -1.16 -0.08 0.00 -0.02 0.00 0.00 33.50 32.71 1ia3 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1ia3 s TRP 27 N -2.00 0.40 -0.32 6.00 -2.14 -1.26 -5.01 118.94 114.61 1ia3 s TRP 27 Ca 0.06 -0.80 -0.00 0.00 2.66 0.00 0.00 56.10 58.02 1ia3 s TRP 27 Cb 0.03 -0.15 0.10 0.00 -3.10 0.00 0.00 33.47 30.35 1ia3 s TRP 27 CO 0.05 -0.61 0.10 0.50 -2.66 0.00 0.00 176.95 174.33 1ia3 s ARG 28 N -3.94 0.80 -0.39 3.25 3.52 -1.26 -5.07 118.95 115.85 1ia3 s ARG 28 Ca 0.14 -1.17 -0.03 0.00 -0.13 0.00 0.00 55.73 54.53 1ia3 s ARG 28 Cb 0.05 -2.12 0.10 0.00 -1.56 0.00 0.00 34.95 31.42 1ia3 s ARG 28 CO -0.04 -0.99 0.18 -0.51 -0.81 0.00 0.00 175.30 173.14 1ia3 s LEU 29 N 1.52 5.06 0.22 -0.88 1.43 -1.26 -4.99 118.68 119.78 1ia3 s LEU 29 Ca 0.10 -1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 51.29 1ia3 s LEU 29 Cb -0.18 -1.83 0.21 0.00 0.03 0.00 0.00 46.19 44.42 1ia3 s LEU 29 CO -0.23 -0.50 1.67 0.03 0.23 0.00 0.00 176.35 177.54 1ia3 h ARG 30 N 8.08 0.83 -0.09 1.70 3.08 -1.99 -2.29 114.38 123.70 1ia3 h ARG 30 Ca -0.15 -0.29 -0.17 0.00 0.07 0.00 0.00 59.98 59.44 1ia3 h ARG 30 Cb 1.05 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1ia3 h ARG 30 CO 0.68 0.91 -0.66 0.87 -1.07 0.00 0.00 179.97 180.71 1ia3 h LYS 31 N 0.75 0.36 -0.66 0.04 1.57 -1.99 -2.90 116.57 113.73 1ia3 h LYS 31 Ca 0.12 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1ia3 h LYS 31 Cb 0.63 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1ia3 h LYS 31 CO 0.04 0.89 0.13 1.49 -0.57 0.00 0.00 179.45 181.43 1ia3 h GLU 32 N 0.26 1.07 -0.92 3.15 4.22 -1.94 -2.03 114.58 118.38 1ia3 h GLU 32 Ca -0.02 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1ia3 h GLU 32 Cb 1.20 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1ia3 h GLU 32 CO 0.11 0.96 0.58 0.82 -2.18 0.00 0.00 179.01 179.30 1ia3 h ILE 33 N 1.01 1.24 -0.59 2.32 2.04 -1.42 -1.59 117.51 120.53 1ia3 h ILE 33 Ca 0.21 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1ia3 h ILE 33 Cb 0.40 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1ia3 h ILE 33 CO 0.01 0.24 0.26 -0.09 0.00 0.00 0.00 178.15 178.57 1ia3 h ARG 34 N 1.25 0.87 -0.14 2.37 2.43 -1.22 -1.43 114.38 118.51 1ia3 h ARG 34 Ca 0.33 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1ia3 h ARG 34 Cb -0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1ia3 h ARG 34 CO -0.07 0.72 0.09 -0.92 -1.51 0.00 0.00 179.97 178.28 1ia3 h TYR 35 N 0.81 0.17 -0.37 2.20 5.03 -1.11 -0.62 116.97 123.08 1ia3 h TYR 35 Ca 0.20 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.59 1ia3 h TYR 35 Cb 0.16 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.30 1ia3 h TYR 35 CO 0.00 0.12 -0.12 0.35 -1.32 0.00 0.00 178.16 177.20 1ia3 h PHE 36 N 0.17 -0.27 0.20 -3.82 3.04 -1.05 0.56 116.94 115.77 1ia3 h PHE 36 Ca 0.05 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1ia3 h PHE 36 Cb -0.01 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1ia3 h PHE 36 CO -0.06 -0.19 -0.10 -0.22 -2.02 0.00 0.00 178.31 175.72 1ia3 h LYS 37 N -0.04 -0.26 0.04 1.11 3.64 -0.96 -1.75 116.57 118.36 1ia3 h LYS 37 Ca 0.18 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ia3 h LYS 37 Cb 0.32 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ia3 h LYS 37 CO -0.40 -0.15 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.11 1ia3 h ASP 38 N -0.30 -0.21 -0.27 4.20 3.45 -0.61 -1.38 116.42 121.29 1ia3 h ASP 38 Ca -0.03 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ia3 h ASP 38 Cb 0.23 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1ia3 h ASP 38 CO 0.05 -0.12 0.18 0.58 -1.57 0.00 0.00 179.24 178.35 1ia3 h VAL 39 N -0.16 1.08 0.00 -1.35 2.07 -0.94 0.12 116.25 117.07 1ia3 h VAL 39 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ia3 h VAL 39 Cb 0.17 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ia3 h VAL 39 CO -0.05 0.08 0.00 0.71 0.02 0.00 0.00 177.57 178.33 1ia3 h THR 40 N 0.36 0.00 0.02 2.57 1.35 -1.28 -3.32 112.91 112.61 1ia3 h THR 40 Ca 0.10 -0.37 -0.38 0.00 -0.55 0.00 0.00 66.41 65.20 1ia3 h THR 40 Cb -0.03 1.22 -0.06 0.00 -1.73 0.00 0.00 68.15 67.56 1ia3 h THR 40 CO -0.02 0.00 -2.39 0.35 -0.25 0.00 0.00 175.52 173.21 1ia3 n THR 41 N -2.46 1.53 -1.99 6.82 -2.24 -0.53 -4.61 114.28 110.81 1ia3 n THR 41 Ca 0.03 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1ia3 n THR 41 Cb 0.30 -1.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.10 1ia3 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ia3 s ARG 42 N -2.53 4.26 0.14 -0.78 0.52 -0.00 -4.61 118.95 115.95 1ia3 s ARG 42 Ca -0.31 2.36 0.03 0.00 -0.52 0.00 0.00 55.73 57.29 1ia3 s ARG 42 Cb 0.08 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1ia3 s ARG 42 CO 0.64 -0.33 -0.07 0.95 0.02 0.00 0.00 175.30 176.51 1ia3 s THR 43 N -1.09 0.94 -0.03 0.02 -4.23 -1.26 -4.89 115.64 105.09 1ia3 s THR 43 Ca 0.51 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1ia3 s THR 43 Cb -0.42 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1ia3 s THR 43 CO 0.57 -0.74 -0.01 0.35 -0.54 0.00 0.00 174.62 174.25 1ia3 n THR 44 N -0.16 0.22 -2.08 3.99 -2.24 -1.26 -5.02 114.28 107.73 1ia3 n THR 44 Ca -0.10 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1ia3 n THR 44 Cb 0.61 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1ia3 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ia3 s LYS 45 N -2.08 3.29 0.01 -0.78 3.01 -1.26 -5.02 119.74 116.92 1ia3 s LYS 45 Ca -0.03 1.29 -0.08 0.00 -1.01 0.00 0.00 55.97 56.14 1ia3 s LYS 45 Cb 0.01 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 1ia3 s LYS 45 CO 0.11 -0.84 0.98 -1.00 0.51 0.00 0.00 175.35 175.11 1ia3 h PRO 46 N 0.58 -0.26 -1.40 -1.68 0.13 -2.02 -3.33 132.00 124.01 1ia3 h PRO 46 Ca -0.47 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 1ia3 h PRO 46 Cb 1.23 0.06 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1ia3 h PRO 46 CO 0.57 -0.17 0.90 0.09 -0.23 0.00 0.00 178.00 179.16 1ia3 n ASN 47 N -2.81 7.55 -4.60 1.44 3.02 -1.26 -4.96 115.26 113.64 1ia3 n ASN 47 Ca -0.03 -3.75 -0.27 0.00 -0.03 0.00 0.00 54.58 50.49 1ia3 n ASN 47 Cb 0.11 -1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 38.14 1ia3 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ia3 s THR 48 N -4.69 2.08 0.23 3.41 -4.23 -1.25 -4.89 115.64 106.30 1ia3 s THR 48 Ca 0.59 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1ia3 s THR 48 Cb 0.47 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1ia3 s THR 48 CO -0.16 -0.06 0.21 0.00 -0.54 0.00 0.00 174.62 174.07 1ia3 s ARG 49 N -3.68 1.37 0.28 3.99 1.70 -1.01 -4.92 118.95 116.68 1ia3 s ARG 49 Ca 0.34 -1.65 0.06 0.00 -0.47 0.00 0.00 55.73 54.02 1ia3 s ARG 49 Cb 0.08 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1ia3 s ARG 49 CO 0.18 -0.48 0.34 -0.80 -1.08 0.00 0.00 175.30 173.46 1ia3 s ASN 50 N -3.18 5.90 0.01 -2.89 0.01 -1.26 -0.14 114.94 113.38 1ia3 s ASN 50 Ca 0.37 -0.16 0.06 0.00 -0.71 0.00 0.00 52.86 52.42 1ia3 s ASN 50 Cb 0.05 -1.45 -0.03 0.00 0.41 0.00 0.00 41.25 40.23 1ia3 s ASN 50 CO 0.14 -0.20 -0.17 0.00 -1.51 0.00 0.00 177.10 175.36 1ia3 s ALA 51 N -2.12 2.62 -0.14 0.60 0.00 -0.23 -1.24 121.76 121.25 1ia3 s ALA 51 Ca 0.38 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1ia3 s ALA 51 Cb -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1ia3 s ALA 51 CO 0.28 0.57 -0.14 0.14 0.00 0.00 0.00 175.76 176.61 1ia3 s VAL 52 N -0.85 2.89 -0.10 0.00 -7.23 0.38 -1.01 120.40 114.48 1ia3 s VAL 52 Ca 0.14 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1ia3 s VAL 52 Cb -0.11 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1ia3 s VAL 52 CO 0.04 0.52 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.68 1ia3 s ILE 53 N 0.58 4.00 0.07 -0.62 1.01 0.82 -0.54 121.20 126.52 1ia3 s ILE 53 Ca -0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1ia3 s ILE 53 Cb -0.16 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1ia3 s ILE 53 CO 0.03 0.56 0.18 0.00 0.00 0.00 0.00 174.94 175.72 1ia3 s MET 54 N -0.44 0.77 0.56 2.79 0.23 -0.14 -0.22 119.30 122.86 1ia3 s MET 54 Ca 0.07 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 53.74 1ia3 s MET 54 Cb -0.12 0.31 -0.06 0.00 -1.53 0.00 0.00 34.83 33.44 1ia3 s MET 54 CO 0.02 -0.23 1.02 0.20 -2.03 0.00 0.00 175.02 174.00 1ia3 s GLY 55 N -2.54 2.09 0.30 3.16 0.00 -0.58 -1.17 107.32 108.57 1ia3 s GLY 55 Ca 0.01 0.28 -0.00 0.00 0.00 0.00 0.00 44.72 45.01 1ia3 s GLY 55 CO -0.08 0.58 1.92 -0.09 0.00 0.00 0.00 173.10 175.42 1ia3 h ARG 56 N 0.65 1.03 -0.65 2.90 2.43 -1.69 -2.17 114.38 116.88 1ia3 h ARG 56 Ca -0.47 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.57 1ia3 h ARG 56 Cb 1.20 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1ia3 h ARG 56 CO 0.59 0.68 0.14 0.87 -1.51 0.00 0.00 179.97 180.74 1ia3 h LYS 57 N 1.06 1.03 -0.01 0.20 1.57 -1.93 -1.19 116.57 117.30 1ia3 h LYS 57 Ca 0.38 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ia3 h LYS 57 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ia3 h LYS 57 CO -0.13 0.93 0.01 1.15 -0.57 0.00 0.00 179.45 180.83 1ia3 h THR 58 N 0.98 1.03 -0.17 -0.16 2.02 -1.80 -1.46 112.91 113.36 1ia3 h THR 58 Ca 0.20 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.34 1ia3 h THR 58 Cb 0.38 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1ia3 h THR 58 CO 0.00 0.03 -0.25 -0.25 0.37 0.00 0.00 175.52 175.42 1ia3 h TRP 59 N -0.02 -0.68 -0.05 3.16 2.91 -1.21 -1.54 115.95 118.51 1ia3 h TRP 59 Ca 0.00 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.07 1ia3 h TRP 59 Cb 0.03 0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1ia3 h TRP 59 CO -0.07 -0.33 0.03 0.93 -1.03 0.00 0.00 178.44 177.97 1ia3 h GLU 60 N -0.30 0.00 0.00 2.65 5.08 -1.10 -2.23 114.58 118.67 1ia3 h GLU 60 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ia3 h GLU 60 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ia3 h GLU 60 CO -0.34 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.33 1ia3 h SER 61 N 0.00 0.00 -3.41 1.42 4.64 -0.21 -3.43 113.55 112.55 1ia3 h SER 61 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 1ia3 h SER 61 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1ia3 h SER 61 CO -0.00 0.00 0.31 -0.63 -0.87 0.00 0.00 176.83 175.64 1ia3 s ILE 62 N -3.54 4.87 0.23 0.95 1.01 -0.84 -4.98 121.20 118.89 1ia3 s ILE 62 Ca 0.03 1.93 -0.32 0.00 0.00 0.00 0.00 60.65 62.29 1ia3 s ILE 62 Cb 0.08 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 1ia3 s ILE 62 CO 0.58 0.20 1.45 -2.65 0.00 0.00 0.00 174.94 174.51 1ia3 n PRO 63 N 3.74 2.09 -0.35 2.79 -0.02 -1.26 -4.83 135.00 137.16 1ia3 n PRO 63 Ca 0.04 0.75 0.25 0.00 -2.02 0.00 0.00 63.50 62.52 1ia3 n PRO 63 Cb 0.51 -2.43 0.50 0.00 -0.02 0.00 0.00 33.50 32.06 1ia3 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia3 h GLN 64 N 4.57 0.32 0.00 -0.52 3.07 -1.93 0.49 115.11 121.11 1ia3 h GLN 64 Ca -0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.24 1ia3 h GLN 64 Cb 1.27 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1ia3 h GLN 64 CO 0.78 0.21 -0.14 0.87 0.09 0.00 0.00 178.83 180.65 1ia3 h LYS 65 N 0.33 0.00 -0.67 0.06 6.56 -2.02 -3.05 116.57 117.78 1ia3 h LYS 65 Ca 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.30 1ia3 h LYS 65 Cb 1.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 1ia3 h LYS 65 CO -0.48 0.14 0.00 1.19 -2.06 0.00 0.00 179.45 178.24 1ia3 n PHE 66 N -3.33 1.16 -4.43 -1.35 3.72 0.17 -4.91 117.46 108.49 1ia3 n PHE 66 Ca -0.00 -0.51 -0.22 0.00 -0.05 0.00 0.00 57.45 56.67 1ia3 n PHE 66 Cb 0.36 -0.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.65 1ia3 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia3 s ARG 67 N -1.46 1.08 0.82 -1.08 1.70 -1.16 -4.20 118.95 114.66 1ia3 s ARG 67 Ca 0.47 -0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 54.76 1ia3 s ARG 67 Cb 0.27 -1.13 0.09 0.00 -0.57 0.00 0.00 34.95 33.60 1ia3 s ARG 67 CO 0.27 0.28 1.10 -1.25 -1.08 0.00 0.00 175.30 174.62 1ia3 s PRO 68 N -1.23 1.87 0.10 3.89 0.04 -1.26 -4.97 135.00 133.44 1ia3 s PRO 68 Ca 0.03 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 1ia3 s PRO 68 Cb -0.08 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1ia3 s PRO 68 CO 0.02 -1.77 1.67 -0.51 0.04 0.00 0.00 177.00 176.46 1ia3 s LEU 69 N -5.86 4.37 0.65 -3.56 1.43 -1.26 -4.93 118.68 109.53 1ia3 s LEU 69 Ca 0.61 2.58 -0.16 0.00 -1.03 0.00 0.00 54.13 56.13 1ia3 s LEU 69 Cb -0.15 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 1ia3 s LEU 69 CO 0.54 -0.90 1.15 -2.16 0.23 0.00 0.00 176.35 175.21 1ia3 s PRO 70 N 2.33 2.72 -0.20 1.29 0.04 -1.26 -3.61 135.00 136.32 1ia3 s PRO 70 Ca 0.75 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1ia3 s PRO 70 Cb -0.42 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ia3 s PRO 70 CO 0.33 -1.34 0.00 -0.25 0.04 0.00 0.00 177.00 175.78 1ia3 n ASP 71 N -2.26 -4.71 -4.03 6.66 8.00 -1.26 -4.97 116.55 113.98 1ia3 n ASP 71 Ca 0.12 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1ia3 n ASP 71 Cb 0.51 -2.38 -0.11 0.00 -0.02 0.00 0.00 41.12 39.13 1ia3 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ia3 s ARG 72 N -1.46 0.43 -0.10 -1.24 0.52 -1.24 -4.58 118.95 111.29 1ia3 s ARG 72 Ca 0.00 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.12 1ia3 s ARG 72 Cb 0.00 0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 1ia3 s ARG 72 CO 0.00 -0.04 1.14 -1.17 0.02 0.00 0.00 175.30 175.24 1ia3 s LEU 73 N -1.84 4.24 -0.18 2.53 2.96 -0.37 -4.81 118.68 121.21 1ia3 s LEU 73 Ca -0.09 1.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.38 1ia3 s LEU 73 Cb -0.06 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1ia3 s LEU 73 CO -0.03 -0.57 0.22 0.20 -1.32 0.00 0.00 176.35 174.85 1ia3 s ASN 74 N 1.40 6.33 -0.13 3.68 0.02 0.87 -0.47 114.94 126.63 1ia3 s ASN 74 Ca 0.53 0.38 0.01 0.00 -1.02 0.00 0.00 52.86 52.75 1ia3 s ASN 74 Cb -0.22 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 38.91 1ia3 s ASN 74 CO 0.19 0.14 -0.16 -0.63 0.02 0.00 0.00 177.10 176.66 1ia3 s ILE 75 N 0.40 2.74 -0.13 0.60 1.01 0.30 -1.13 121.20 124.98 1ia3 s ILE 75 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1ia3 s ILE 75 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1ia3 s ILE 75 CO 0.01 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.65 1ia3 s ILE 76 N 0.51 2.30 -0.11 2.92 1.09 -0.43 -0.96 121.20 126.52 1ia3 s ILE 76 Ca -0.10 -0.91 -0.06 0.00 -1.10 0.00 0.00 60.65 58.48 1ia3 s ILE 76 Cb -0.16 -1.93 -0.04 0.00 -1.06 0.00 0.00 42.46 39.27 1ia3 s ILE 76 CO 0.04 0.54 0.10 -0.76 -0.10 0.00 0.00 174.94 174.77 1ia3 s LEU 77 N 0.63 4.18 -0.15 2.97 1.43 -0.32 -2.30 118.68 125.12 1ia3 s LEU 77 Ca -0.11 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 1ia3 s LEU 77 Cb -0.16 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.09 1ia3 s LEU 77 CO 0.03 0.40 0.46 -0.55 0.23 0.00 0.00 176.35 176.91 1ia3 s SER 78 N -0.96 -0.46 0.51 2.29 0.15 -0.84 -1.73 113.70 112.65 1ia3 s SER 78 Ca 0.14 0.83 0.34 0.00 0.70 0.00 0.00 55.95 57.96 1ia3 s SER 78 Cb -0.12 0.86 1.60 0.00 -1.71 0.00 0.00 66.02 66.65 1ia3 s SER 78 CO 0.03 -0.22 2.01 0.03 1.20 0.00 0.00 173.24 176.30 1ia3 h ARG 79 N 5.10 0.00 -0.00 5.44 3.08 -1.86 -2.61 114.38 123.54 1ia3 h ARG 79 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1ia3 h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ia3 h ARG 79 CO 0.24 0.00 -0.53 -1.13 -1.07 0.00 0.00 179.97 177.48 1ia3 n SER 80 N -2.83 0.62 -4.82 7.04 3.41 -1.26 -4.95 113.62 110.83 1ia3 n SER 80 Ca -0.00 -0.41 -0.34 0.00 -0.26 0.00 0.00 58.87 57.85 1ia3 n SER 80 Cb 0.19 0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1ia3 n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ia3 s TYR 81 N -2.95 3.49 0.36 7.33 2.02 -0.98 -5.07 117.35 121.56 1ia3 s TYR 81 Ca 0.12 1.49 -0.08 0.00 -0.37 0.00 0.00 57.07 58.22 1ia3 s TYR 81 Cb 0.18 -2.72 -0.06 0.00 -0.40 0.00 0.00 41.96 38.95 1ia3 s TYR 81 CO 0.70 0.12 0.69 -1.21 -1.57 0.00 0.00 175.55 174.28 1ia3 s GLU 82 N -2.59 3.73 -0.57 -0.62 0.41 -1.26 -3.97 118.70 113.83 1ia3 s GLU 82 Ca 0.53 0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 55.10 1ia3 s GLU 82 Cb -0.13 -2.49 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 1ia3 s GLU 82 CO 0.18 0.06 1.25 -0.80 -0.49 0.00 0.00 175.26 175.47 1ia3 s ASN 83 N -3.15 6.37 -0.04 -0.19 0.01 -1.26 -3.88 114.94 112.80 1ia3 s ASN 83 Ca 0.49 0.16 -0.08 0.00 -0.71 0.00 0.00 52.86 52.71 1ia3 s ASN 83 Cb -0.10 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1ia3 s ASN 83 CO 0.31 -1.54 0.20 -0.70 -1.51 0.00 0.00 177.10 173.86 1ia3 s GLU 84 N 5.09 0.39 -0.36 -0.60 2.12 -0.53 -5.01 118.70 119.81 1ia3 s GLU 84 Ca 0.45 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.59 1ia3 s GLU 84 Cb -0.08 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1ia3 s GLU 84 CO 0.25 -0.08 0.54 0.42 -0.54 0.00 0.00 175.26 175.85 1ia3 s ILE 85 N -0.61 4.98 -0.07 -3.70 1.01 -1.26 -0.61 121.20 120.95 1ia3 s ILE 85 Ca -0.07 0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 1ia3 s ILE 85 Cb -0.04 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 1ia3 s ILE 85 CO 0.01 -0.27 0.53 0.40 0.00 0.00 0.00 174.94 175.61 1ia3 h ILE 86 N 5.65 0.37 -2.37 2.92 2.04 -1.25 -3.49 117.51 121.39 1ia3 h ILE 86 Ca -0.27 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1ia3 h ILE 86 Cb 1.12 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1ia3 h ILE 86 CO 0.79 0.11 -0.03 -0.90 0.00 0.00 0.00 178.15 178.12 1ia3 n ASP 87 N -4.94 -0.23 0.24 1.72 3.85 -1.04 -4.98 116.55 111.16 1ia3 n ASP 87 Ca -0.05 -1.34 0.16 0.00 -0.71 0.00 0.00 54.79 52.85 1ia3 n ASP 87 Cb 0.19 0.44 0.79 0.00 -1.35 0.00 0.00 41.12 41.19 1ia3 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia3 h ASP 88 N 0.35 0.00 0.00 -1.12 -0.00 -2.02 -2.97 116.42 110.66 1ia3 h ASP 88 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1ia3 h ASP 88 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.54 1ia3 h ASP 88 CO 0.07 0.00 -0.63 0.59 -0.00 0.00 0.00 179.24 179.26 1ia3 n ASN 89 N -2.68 0.84 -4.04 2.28 3.02 -1.26 -4.91 115.26 108.51 1ia3 n ASN 89 Ca -0.01 -0.61 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1ia3 n ASN 89 Cb 0.14 1.08 -0.16 0.00 -0.61 0.00 0.00 39.78 40.22 1ia3 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ia3 s ILE 90 N -2.06 1.17 -0.04 2.41 1.01 -1.12 -0.09 121.20 122.47 1ia3 s ILE 90 Ca 0.02 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1ia3 s ILE 90 Cb 0.07 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1ia3 s ILE 90 CO 0.41 0.36 -0.20 -0.63 0.00 0.00 0.00 174.94 174.88 1ia3 s ILE 91 N 0.54 1.62 -0.09 2.92 1.01 -0.28 -0.64 121.20 126.27 1ia3 s ILE 91 Ca -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1ia3 s ILE 91 Cb -0.15 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1ia3 s ILE 91 CO 0.03 0.46 -0.02 -1.00 0.00 0.00 0.00 174.94 174.41 1ia3 s HIS 92 N -0.08 3.08 0.16 3.97 3.76 0.22 -1.31 115.29 125.09 1ia3 s HIS 92 Ca -0.02 0.10 -0.19 0.00 -0.15 0.00 0.00 55.06 54.79 1ia3 s HIS 92 Cb -0.12 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.84 1ia3 s HIS 92 CO 0.02 0.38 0.52 0.00 -0.85 0.00 0.00 174.74 174.82 1ia3 s ALA 93 N -0.74 -1.21 -1.48 -1.40 0.00 -0.97 -1.45 121.76 114.51 1ia3 s ALA 93 Ca 0.11 0.12 0.18 0.00 0.00 0.00 0.00 51.96 52.37 1ia3 s ALA 93 Cb -0.11 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1ia3 s ALA 93 CO 0.02 -0.75 0.89 -1.13 0.00 0.00 0.00 175.76 174.79 1ia3 n SER 94 N -0.32 1.56 -3.71 0.00 3.41 -1.25 -1.99 113.62 111.31 1ia3 n SER 94 Ca -0.15 -1.28 -0.12 0.00 -0.26 0.00 0.00 58.87 57.06 1ia3 n SER 94 Cb 0.64 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 65.10 1ia3 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia3 s SER 95 N -2.19 -0.20 0.17 4.04 1.04 -1.26 -4.68 113.70 110.61 1ia3 s SER 95 Ca 0.13 -0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 1ia3 s SER 95 Cb 0.14 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1ia3 s SER 95 CO 0.51 -0.63 1.77 -0.29 0.98 0.00 0.00 173.24 175.58 1ia3 h ILE 96 N 3.15 1.18 -0.58 -1.02 2.10 -2.00 -1.18 117.51 119.17 1ia3 h ILE 96 Ca -0.31 -0.47 -0.08 0.00 1.08 0.00 0.00 64.86 65.08 1ia3 h ILE 96 Cb 1.20 0.52 -0.02 0.00 -1.09 0.00 0.00 36.82 37.43 1ia3 h ILE 96 CO 0.44 0.20 0.04 -0.08 -1.08 0.00 0.00 178.15 177.67 1ia3 h GLU 97 N 0.72 0.99 -0.91 2.19 4.81 -2.00 -1.40 114.58 118.98 1ia3 h GLU 97 Ca 0.19 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ia3 h GLU 97 Cb 0.06 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1ia3 h GLU 97 CO -0.03 0.97 0.56 0.77 -0.73 0.00 0.00 179.01 180.55 1ia3 h SER 98 N 0.88 1.08 -0.77 1.04 0.02 -1.94 -2.54 113.55 111.32 1ia3 h SER 98 Ca 0.17 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1ia3 h SER 98 Cb 0.49 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1ia3 h SER 98 CO 0.02 0.82 0.36 0.77 -1.14 0.00 0.00 176.83 177.66 1ia3 h SER 99 N 1.25 1.02 0.60 3.07 4.64 -0.51 -2.81 113.55 120.81 1ia3 h SER 99 Ca 0.33 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1ia3 h SER 99 Cb -0.07 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1ia3 h SER 99 CO -0.06 0.88 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.65 1ia3 h LEU 100 N 1.09 0.00 -1.88 5.97 3.38 -0.87 -1.97 115.31 121.03 1ia3 h LEU 100 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1ia3 h LEU 100 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ia3 h LEU 100 CO -0.03 0.06 -0.11 0.78 0.09 0.00 0.00 178.44 179.23 1ia3 h ASN 101 N 0.00 0.00 -0.05 -0.43 2.35 -1.24 -0.67 115.58 115.54 1ia3 h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ia3 h ASN 101 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1ia3 h ASN 101 CO 0.01 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 176.08 1ia3 n LEU 102 N -3.52 1.86 -4.71 1.61 7.99 -0.74 -4.07 117.00 115.41 1ia3 n LEU 102 Ca -0.01 -0.65 -0.29 0.00 -0.01 0.00 0.00 56.01 55.05 1ia3 n LEU 102 Cb 0.25 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.46 1ia3 n LEU 102 CO 0.29 0.33 -0.30 0.68 -1.51 0.00 0.00 177.39 176.87 1ia3 s VAL 103 N -1.95 4.09 0.04 4.08 -7.23 -1.01 -4.98 120.40 113.44 1ia3 s VAL 103 Ca 0.35 -1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1ia3 s VAL 103 Cb 0.20 -3.00 0.01 0.00 0.56 0.00 0.00 36.38 34.15 1ia3 s VAL 103 CO 0.32 0.02 0.26 -0.94 -0.31 0.00 0.00 175.10 174.45 1ia3 s SER 104 N -2.62 -0.07 -1.19 4.85 1.04 -1.26 -1.00 113.70 113.45 1ia3 s SER 104 Ca 0.28 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 1ia3 s SER 104 Cb -0.11 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1ia3 s SER 104 CO 0.20 -0.57 1.03 -0.90 0.98 0.00 0.00 173.24 173.98 1ia3 n ASP 105 N 0.71 -5.43 -4.46 7.02 5.68 -1.26 -4.97 116.55 113.83 1ia3 n ASP 105 Ca -0.19 -0.49 -0.33 0.00 -0.50 0.00 0.00 54.79 53.28 1ia3 n ASP 105 Cb 0.59 -4.53 -0.13 0.00 -1.14 0.00 0.00 41.12 35.91 1ia3 n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ia3 s VAL 106 N -3.29 3.39 -0.03 2.12 1.01 -1.26 -2.40 120.40 119.94 1ia3 s VAL 106 Ca 0.46 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ia3 s VAL 106 Cb -0.20 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1ia3 s VAL 106 CO 0.65 0.54 -0.03 -0.08 0.00 0.00 0.00 175.10 176.18 1ia3 h GLU 107 N 6.23 0.00 -6.31 2.72 4.81 -0.89 -3.47 114.58 117.67 1ia3 h GLU 107 Ca -0.34 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.27 1ia3 h GLU 107 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1ia3 h GLU 107 CO 0.56 0.00 -0.77 1.03 -0.73 0.00 0.00 179.01 179.10 1ia3 s ARG 108 N -1.23 1.66 -0.06 1.92 0.52 -1.26 -5.02 118.95 115.48 1ia3 s ARG 108 Ca -0.03 -1.70 0.05 0.00 -0.52 0.00 0.00 55.73 53.53 1ia3 s ARG 108 Cb 0.00 -1.80 -0.00 0.00 0.52 0.00 0.00 34.95 33.67 1ia3 s ARG 108 CO 0.04 0.35 -0.21 0.54 0.02 0.00 0.00 175.30 176.04 1ia3 s VAL 109 N -2.30 1.74 -0.04 3.52 0.11 -1.26 -1.06 120.40 121.10 1ia3 s VAL 109 Ca 0.28 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1ia3 s VAL 109 Cb -0.06 -1.49 -0.00 0.00 -1.53 0.00 0.00 36.38 33.30 1ia3 s VAL 109 CO 0.14 0.49 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.87 1ia3 s PHE 110 N 0.08 1.63 -0.24 1.54 0.08 -0.18 -1.35 117.98 119.54 1ia3 s PHE 110 Ca -0.07 -0.45 -0.18 0.00 0.12 0.00 0.00 56.93 56.34 1ia3 s PHE 110 Cb -0.14 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1ia3 s PHE 110 CO 0.04 -0.15 0.52 0.42 -0.10 0.00 0.00 175.22 175.95 1ia3 s ILE 111 N 0.03 5.08 -1.30 0.64 1.01 0.80 -0.12 121.20 127.33 1ia3 s ILE 111 Ca -0.03 0.92 0.15 0.00 0.00 0.00 0.00 60.65 61.70 1ia3 s ILE 111 Cb -0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1ia3 s ILE 111 CO 0.02 0.12 0.80 2.30 0.00 0.00 0.00 174.94 178.17 1ia3 n ILE 112 N 4.92 0.00 0.00 2.92 -5.35 0.70 -1.43 119.36 121.12 1ia3 n ILE 112 Ca -0.04 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1ia3 n ILE 112 Cb 0.50 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 1ia3 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia3 n GLY 113 N 1.16 0.91 0.00 3.28 0.00 -1.25 -4.92 105.19 104.37 1ia3 n GLY 113 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1ia3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia3 n GLY 114 N -1.18 1.64 0.14 -0.02 0.00 -1.26 -1.53 105.19 102.99 1ia3 n GLY 114 Ca 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 1ia3 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia3 h ALA 115 N -1.26 0.34 -0.26 4.61 0.00 -1.97 -0.26 119.26 120.46 1ia3 h ALA 115 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ia3 h ALA 115 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ia3 h ALA 115 CO 0.00 -0.33 0.07 1.49 0.00 0.00 0.00 179.25 180.49 1ia3 h GLU 116 N 0.20 0.41 -0.10 0.00 4.81 -1.97 -2.17 114.58 115.76 1ia3 h GLU 116 Ca 0.15 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1ia3 h GLU 116 Cb 0.15 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1ia3 h GLU 116 CO -0.18 0.50 -0.08 0.82 -0.73 0.00 0.00 179.01 179.33 1ia3 h ILE 117 N 0.26 0.76 -0.08 2.32 1.08 -1.77 -1.76 117.51 118.31 1ia3 h ILE 117 Ca 0.08 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.59 1ia3 h ILE 117 Cb 0.26 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1ia3 h ILE 117 CO -0.00 0.00 -0.25 1.88 -0.69 0.00 0.00 178.15 179.09 1ia3 h TYR 118 N -0.10 -0.66 0.00 1.37 0.05 -0.93 -0.50 116.97 116.21 1ia3 h TYR 118 Ca 0.07 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1ia3 h TYR 118 Cb 0.20 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1ia3 h TYR 118 CO -0.20 -0.33 -0.20 -0.91 -1.05 0.00 0.00 178.16 175.47 1ia3 h ASN 119 N -0.34 0.00 0.09 3.88 2.35 -1.26 -1.94 115.58 118.36 1ia3 h ASN 119 Ca 0.09 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 1ia3 h ASN 119 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1ia3 h ASN 119 CO -0.28 0.20 -1.40 -0.08 -1.65 0.00 0.00 177.43 174.22 1ia3 h GLU 120 N 0.00 0.19 0.00 0.81 4.57 -1.13 -3.39 114.58 115.62 1ia3 h GLU 120 Ca -0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ia3 h GLU 120 Cb 0.38 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1ia3 h GLU 120 CO 0.03 1.15 0.00 -0.07 -1.18 0.00 0.00 179.01 178.94 1ia3 h LEU 121 N -0.42 0.00 -2.38 1.64 4.07 -1.04 -3.17 115.31 114.01 1ia3 h LEU 121 Ca -0.32 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.67 1ia3 h LEU 121 Cb 1.68 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.41 1ia3 h LEU 121 CO 0.01 0.00 0.11 -0.29 -1.08 0.00 0.00 178.44 177.18 1ia3 h ILE 122 N 0.00 0.44 -0.32 1.22 6.09 -1.55 -0.99 117.51 122.41 1ia3 h ILE 122 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ia3 h ILE 122 Cb 0.76 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1ia3 h ILE 122 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1ia3 n ASN 123 N -3.74 2.53 -4.71 2.19 3.02 -1.20 -4.85 115.26 108.50 1ia3 n ASN 123 Ca -0.01 -1.88 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 1ia3 n ASN 123 Cb 0.21 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ia3 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ia3 s ASN 124 N -1.41 6.74 0.02 6.41 3.84 -0.38 -4.96 114.94 125.20 1ia3 s ASN 124 Ca 0.35 0.88 0.11 0.00 0.21 0.00 0.00 52.86 54.41 1ia3 s ASN 124 Cb 0.19 -2.32 0.47 0.00 -0.55 0.00 0.00 41.25 39.05 1ia3 s ASN 124 CO 0.27 -0.06 1.35 -1.54 -2.79 0.00 0.00 177.10 174.33 1ia3 n SER 125 N 3.88 0.04 0.23 -4.21 3.41 -1.26 -0.98 113.62 114.74 1ia3 n SER 125 Ca -0.05 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1ia3 n SER 125 Cb 0.51 -0.52 0.57 0.00 -0.26 0.00 0.00 64.21 64.51 1ia3 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ia3 h LEU 126 N 0.00 0.00 -8.89 1.04 3.38 -1.92 -3.41 115.31 105.50 1ia3 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ia3 h LEU 126 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1ia3 h LEU 126 CO 0.00 0.21 1.00 -0.69 0.09 0.00 0.00 178.44 179.05 1ia3 s VAL 127 N -4.19 4.08 -0.06 1.22 1.01 -0.15 -1.37 120.40 120.94 1ia3 s VAL 127 Ca -0.03 1.18 0.11 0.00 0.00 0.00 0.00 61.98 63.24 1ia3 s VAL 127 Cb 0.13 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 1ia3 s VAL 127 CO 0.64 -0.59 0.25 -1.54 0.00 0.00 0.00 175.10 173.87 1ia3 n SER 128 N 7.98 2.36 -3.91 3.32 3.41 -0.08 -4.91 113.62 121.79 1ia3 n SER 128 Ca 0.15 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1ia3 n SER 128 Cb 0.47 1.44 -0.14 0.00 -0.26 0.00 0.00 64.21 65.72 1ia3 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia3 s HIS 129 N -2.67 0.15 -0.17 7.33 3.76 -1.18 -3.95 115.29 118.56 1ia3 s HIS 129 Ca -0.03 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1ia3 s HIS 129 Cb 0.07 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 1ia3 s HIS 129 CO 0.44 -0.02 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.69 1ia3 s LEU 130 N -0.20 2.66 -0.47 0.89 1.43 -0.42 -1.28 118.68 121.28 1ia3 s LEU 130 Ca -0.01 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1ia3 s LEU 130 Cb -0.02 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.69 1ia3 s LEU 130 CO -0.00 0.07 0.35 -0.76 0.23 0.00 0.00 176.35 176.23 1ia3 s LEU 131 N 0.92 5.68 -0.20 1.79 1.02 0.56 -0.87 118.68 127.58 1ia3 s LEU 131 Ca -0.02 -1.88 -0.04 0.00 0.02 0.00 0.00 54.13 52.21 1ia3 s LEU 131 Cb -0.15 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 1ia3 s LEU 131 CO -0.01 -0.69 -0.04 -0.63 0.02 0.00 0.00 176.35 175.00 1ia3 s ILE 132 N 1.37 3.54 -0.30 -0.59 1.01 -1.00 -1.33 121.20 123.89 1ia3 s ILE 132 Ca 0.05 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 1ia3 s ILE 132 Cb -0.26 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 1ia3 s ILE 132 CO -0.00 0.44 0.59 -0.89 0.00 0.00 0.00 174.94 175.07 1ia3 s THR 133 N 1.14 4.97 -0.29 2.92 2.01 0.50 -1.63 115.64 125.26 1ia3 s THR 133 Ca 0.02 0.78 -0.15 0.00 0.31 0.00 0.00 61.69 62.64 1ia3 s THR 133 Cb -0.15 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1ia3 s THR 133 CO -0.00 -0.11 0.39 -1.61 -0.69 0.00 0.00 174.62 172.60 1ia3 s GLU 134 N 2.52 3.88 -0.10 4.92 2.02 0.50 -1.15 118.70 131.28 1ia3 s GLU 134 Ca 0.23 -0.06 -0.04 0.00 0.02 0.00 0.00 54.97 55.12 1ia3 s GLU 134 Cb -0.15 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 1ia3 s GLU 134 CO 0.12 -0.37 0.07 0.42 0.02 0.00 0.00 175.26 175.51 1ia3 s ILE 135 N 2.11 4.86 0.09 -1.63 1.01 -0.23 -1.93 121.20 125.48 1ia3 s ILE 135 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1ia3 s ILE 135 Cb -0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1ia3 s ILE 135 CO 0.11 0.61 -0.20 -1.61 0.00 0.00 0.00 174.94 173.85 1ia3 s GLU 136 N -0.90 1.10 -0.01 2.79 2.02 0.16 -0.34 118.70 123.53 1ia3 s GLU 136 Ca 0.14 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 1ia3 s GLU 136 Cb -0.12 -1.30 0.01 0.00 0.10 0.00 0.00 34.13 32.82 1ia3 s GLU 136 CO 0.03 0.30 0.21 -1.58 0.02 0.00 0.00 175.26 174.24 1ia3 s HIS 137 N -1.13 -0.06 0.39 1.61 5.65 -1.26 -1.70 115.29 118.79 1ia3 s HIS 137 Ca 0.05 0.06 0.06 0.00 0.25 0.00 0.00 55.06 55.48 1ia3 s HIS 137 Cb -0.10 0.01 0.77 0.00 -1.18 0.00 0.00 32.58 32.08 1ia3 s HIS 137 CO 0.04 -0.31 2.02 -1.00 -0.65 0.00 0.00 174.74 174.83 1ia3 h PRO 138 N 4.22 0.60 -2.29 2.88 0.13 -2.01 -3.34 132.00 132.19 1ia3 h PRO 138 Ca -0.30 -0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.20 1ia3 h PRO 138 Cb 1.19 -0.13 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 1ia3 h PRO 138 CO 0.40 0.43 -0.90 0.45 -0.23 0.00 0.00 178.00 178.15 1ia3 n SER 139 N -4.44 1.00 -0.28 1.44 2.88 -1.26 -4.98 113.62 107.99 1ia3 n SER 139 Ca 0.04 -2.80 0.22 0.00 -1.33 0.00 0.00 58.87 55.00 1ia3 n SER 139 Cb 0.08 -0.63 0.54 0.00 -0.75 0.00 0.00 64.21 63.45 1ia3 n SER 139 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ia3 h PRO 140 N 4.72 0.35 0.00 -1.46 0.10 -1.90 -0.83 132.00 132.98 1ia3 h PRO 140 Ca 0.16 -0.02 -0.00 0.00 0.10 0.00 0.00 66.00 66.24 1ia3 h PRO 140 Cb 0.83 -0.08 -0.00 0.00 0.10 0.00 0.00 31.00 31.85 1ia3 h PRO 140 CO 0.53 0.23 -0.02 1.05 0.10 0.00 0.00 178.00 179.90 1ia3 h GLU 141 N 0.36 0.00 0.00 1.05 9.09 -1.94 -2.40 114.58 120.73 1ia3 h GLU 141 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1ia3 h GLU 141 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1ia3 h GLU 141 CO -0.20 0.02 0.00 -1.13 0.05 0.00 0.00 179.01 177.74 1ia3 n SER 142 N -3.12 0.35 -4.62 3.06 3.41 -0.31 -4.69 113.62 107.70 1ia3 n SER 142 Ca 0.00 0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 58.75 1ia3 n SER 142 Cb 0.30 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 1ia3 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ia3 s ILE 143 N -3.04 5.08 -0.02 -1.33 1.01 -0.91 -5.03 121.20 116.95 1ia3 s ILE 143 Ca 0.12 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1ia3 s ILE 143 Cb 0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1ia3 s ILE 143 CO 0.56 0.10 1.10 -1.61 0.00 0.00 0.00 174.94 175.09 1ia3 s GLU 144 N 2.22 4.44 -0.05 2.79 0.41 -1.26 -5.01 118.70 122.24 1ia3 s GLU 144 Ca 0.21 1.58 -0.09 0.00 -0.41 0.00 0.00 54.97 56.26 1ia3 s GLU 144 Cb -0.16 -3.47 0.02 0.00 -1.78 0.00 0.00 34.13 28.74 1ia3 s GLU 144 CO 0.09 -0.26 0.21 -1.64 -0.49 0.00 0.00 175.26 173.17 1ia3 s MET 145 N 1.53 0.39 -0.00 1.61 -1.94 -1.26 -4.64 119.30 115.00 1ia3 s MET 145 Ca 0.54 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 1ia3 s MET 145 Cb -0.24 0.18 -0.00 0.00 2.01 0.00 0.00 34.83 36.78 1ia3 s MET 145 CO 0.25 -0.08 0.00 -0.40 -0.01 0.00 0.00 175.02 174.78 1ia3 n ASP 146 N 2.24 4.28 -4.31 3.03 3.85 0.24 -4.97 116.55 120.91 1ia3 n ASP 146 Ca -0.17 -0.07 -0.29 0.00 -0.71 0.00 0.00 54.79 53.55 1ia3 n ASP 146 Cb 0.57 1.00 -0.15 0.00 -1.35 0.00 0.00 41.12 41.20 1ia3 n ASP 146 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1ia3 s THR 147 N -1.87 2.00 0.03 2.12 -4.23 -1.01 -5.02 115.64 107.67 1ia3 s THR 147 Ca -0.00 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1ia3 s THR 147 Cb 0.00 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1ia3 s THR 147 CO 0.00 0.35 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.04 1ia3 s PHE 148 N -0.77 0.38 0.19 3.99 0.40 -1.26 -1.44 117.98 119.47 1ia3 s PHE 148 Ca 0.10 -0.69 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 1ia3 s PHE 148 Cb -0.10 -0.27 -0.08 0.00 0.51 0.00 0.00 43.02 43.09 1ia3 s PHE 148 CO 0.02 -0.23 0.96 -0.51 0.70 0.00 0.00 175.22 176.15 1ia3 s LEU 149 N -1.92 4.59 -0.69 -0.37 1.43 -0.12 -4.92 118.68 116.67 1ia3 s LEU 149 Ca -0.08 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1ia3 s LEU 149 Cb -0.05 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.78 1ia3 s LEU 149 CO -0.03 0.06 0.63 2.29 0.23 0.00 0.00 176.35 179.52 1ia3 n LYS 150 N 2.00 2.21 -4.37 1.70 2.85 -1.26 -4.89 118.16 116.40 1ia3 n LYS 150 Ca -0.00 -4.58 -0.35 0.00 -1.05 0.00 0.00 58.31 52.34 1ia3 n LYS 150 Cb 0.48 -2.29 -0.10 0.00 -0.65 0.00 0.00 35.03 32.47 1ia3 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ia3 s PHE 151 N -1.92 3.12 -1.42 5.58 0.08 -1.26 -4.88 117.98 117.28 1ia3 s PHE 151 Ca 0.31 0.07 -0.13 0.00 0.12 0.00 0.00 56.93 57.30 1ia3 s PHE 151 Cb 0.04 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 1ia3 s PHE 151 CO -0.10 0.33 2.13 -0.35 -0.10 0.00 0.00 175.22 177.13 1ia3 n PRO 152 N 2.55 3.01 0.08 0.24 -0.04 -1.26 -4.77 135.00 134.82 1ia3 n PRO 152 Ca -0.18 -2.82 0.08 0.00 -0.04 0.00 0.00 63.50 60.54 1ia3 n PRO 152 Cb 0.53 -3.24 0.37 0.00 -0.04 0.00 0.00 33.50 31.13 1ia3 n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ia3 n LEU 153 N 5.84 0.34 0.21 1.53 4.77 -1.26 -1.60 117.00 126.82 1ia3 n LEU 153 Ca 0.49 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 57.23 1ia3 n LEU 153 Cb 0.39 -0.59 0.64 0.00 -2.33 0.00 0.00 43.42 41.52 1ia3 n LEU 153 CO 0.87 -0.55 0.94 1.05 -1.33 0.00 0.00 177.39 178.38 1ia3 h GLU 154 N 0.00 0.00 -0.23 3.23 9.09 -2.04 -0.25 114.58 124.38 1ia3 h GLU 154 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ia3 h GLU 154 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1ia3 h GLU 154 CO 0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ia3 n SER 155 N -2.66 2.61 -4.33 3.06 7.64 -0.63 -4.95 113.62 114.36 1ia3 n SER 155 Ca 0.01 -1.86 -0.20 0.00 1.01 0.00 0.00 58.87 57.83 1ia3 n SER 155 Cb 0.23 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 1ia3 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia3 s TRP 156 N -1.72 1.72 -0.12 1.43 0.52 -0.11 -1.35 118.94 119.32 1ia3 s TRP 156 Ca 0.35 -0.52 0.03 0.00 0.02 0.00 0.00 56.10 55.97 1ia3 s TRP 156 Cb 0.20 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.70 1ia3 s TRP 156 CO 0.30 0.32 -0.21 0.99 0.02 0.00 0.00 176.95 178.37 1ia3 s THR 157 N -2.44 1.93 -0.17 2.01 2.01 0.76 -4.78 115.64 114.96 1ia3 s THR 157 Ca 0.18 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1ia3 s THR 157 Cb -0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1ia3 s THR 157 CO 0.06 0.53 1.21 -0.75 -0.69 0.00 0.00 174.62 174.97 1ia3 s LYS 158 N 0.76 4.25 0.59 4.92 2.20 -1.26 -1.24 119.74 129.95 1ia3 s LYS 158 Ca -0.09 1.59 -0.08 0.00 -0.36 0.00 0.00 55.97 57.03 1ia3 s LYS 158 Cb -0.16 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1ia3 s LYS 158 CO 0.00 -0.67 0.93 -0.65 -0.36 0.00 0.00 175.35 174.60 1ia3 s GLN 159 N 3.36 3.19 0.78 4.03 -1.52 0.03 -5.00 119.66 124.52 1ia3 s GLN 159 Ca 0.52 0.26 -0.12 0.00 -1.95 0.00 0.00 55.36 54.07 1ia3 s GLN 159 Cb -0.20 -2.22 0.07 0.00 -0.22 0.00 0.00 33.01 30.43 1ia3 s GLN 159 CO 0.13 -0.61 1.13 -1.25 -0.25 0.00 0.00 175.29 174.44 1ia3 s PRO 160 N -5.02 2.02 0.51 2.91 0.04 -1.26 -4.65 135.00 129.54 1ia3 s PRO 160 Ca 0.53 1.42 0.19 0.00 0.04 0.00 0.00 61.00 63.18 1ia3 s PRO 160 Cb -0.11 -1.85 1.27 0.00 0.04 0.00 0.00 34.50 33.85 1ia3 s PRO 160 CO 0.48 -1.86 2.07 -0.22 0.04 0.00 0.00 177.00 177.50 1ia3 h LYS 161 N -0.94 0.08 -0.88 4.56 3.64 -1.97 -0.92 116.57 120.15 1ia3 h LYS 161 Ca -0.45 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1ia3 h LYS 161 Cb 1.26 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1ia3 h LYS 161 CO 0.49 0.05 0.57 0.66 -2.27 0.00 0.00 179.45 178.96 1ia3 h SER 162 N 0.08 0.89 -0.49 4.20 4.64 -1.99 0.30 113.55 121.19 1ia3 h SER 162 Ca 0.14 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1ia3 h SER 162 Cb 0.45 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ia3 h SER 162 CO -0.01 0.59 -0.18 -0.33 -0.87 0.00 0.00 176.83 176.03 1ia3 h GLU 163 N 1.02 0.99 -0.25 4.77 4.39 -1.52 -1.40 114.58 122.58 1ia3 h GLU 163 Ca 0.37 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ia3 h GLU 163 Cb 0.14 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1ia3 h GLU 163 CO -0.13 1.08 0.17 1.25 -1.16 0.00 0.00 179.01 180.22 1ia3 h LEU 164 N 0.84 0.30 -0.42 1.33 5.85 -1.28 -1.34 115.31 120.60 1ia3 h LEU 164 Ca 0.12 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1ia3 h LEU 164 Cb 0.75 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1ia3 h LEU 164 CO 0.06 0.22 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.77 1ia3 h GLN 165 N 0.34 0.10 -0.83 1.25 5.75 -0.25 -0.65 115.11 120.82 1ia3 h GLN 165 Ca 0.09 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 1ia3 h GLN 165 Cb -0.03 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1ia3 h GLN 165 CO -0.02 0.07 0.50 0.87 -2.65 0.00 0.00 178.83 177.60 1ia3 h LYS 166 N 0.11 0.88 0.09 1.69 1.57 -1.03 -1.38 116.57 118.50 1ia3 h LYS 166 Ca 0.21 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1ia3 h LYS 166 Cb 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ia3 h LYS 166 CO -0.35 0.58 -0.05 0.35 -0.57 0.00 0.00 179.45 179.42 1ia3 h PHE 167 N 0.91 -0.12 -0.00 -1.35 3.04 -0.00 -3.09 116.94 116.33 1ia3 h PHE 167 Ca 0.37 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.32 1ia3 h PHE 167 Cb 0.20 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1ia3 h PHE 167 CO -0.04 -0.03 -0.07 1.33 -2.02 0.00 0.00 178.31 177.48 1ia3 n VAL 168 N -5.12 0.00 0.00 1.41 0.24 -0.42 -5.02 118.33 109.42 1ia3 n VAL 168 Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1ia3 n VAL 168 Cb 0.10 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1ia3 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ia3 n GLY 169 N 1.28 3.73 0.23 7.63 0.00 -0.54 -3.14 105.19 114.37 1ia3 n GLY 169 Ca 0.15 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ia3 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ia3 h ASP 170 N 0.00 0.00 -2.20 1.61 3.45 -1.93 -3.45 116.42 113.89 1ia3 h ASP 170 Ca 0.00 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.84 1ia3 h ASP 170 Cb 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.84 1ia3 h ASP 170 CO 0.00 0.23 0.57 0.41 -1.57 0.00 0.00 179.24 178.88 1ia3 n THR 171 N -3.49 0.44 -2.48 0.35 -1.04 -1.19 -4.93 114.28 101.95 1ia3 n THR 171 Ca -0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 1ia3 n THR 171 Cb 0.40 -1.23 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 1ia3 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia3 s VAL 172 N 0.33 4.23 -0.38 12.58 1.01 -1.26 -5.01 120.40 131.90 1ia3 s VAL 172 Ca 0.76 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 64.31 1ia3 s VAL 172 Cb -0.76 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 31.69 1ia3 s VAL 172 CO 0.46 0.09 0.15 -0.76 0.00 0.00 0.00 175.10 175.03 1ia3 s LEU 173 N 1.38 4.93 0.47 3.92 1.43 -1.26 -5.09 118.68 124.47 1ia3 s LEU 173 Ca 0.57 -1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 1ia3 s LEU 173 Cb -0.27 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1ia3 s LEU 173 CO 0.27 -0.47 0.85 -1.61 0.23 0.00 0.00 176.35 175.62 1ia3 s GLU 174 N 1.15 3.73 0.04 1.70 2.02 -1.26 -5.09 118.70 120.99 1ia3 s GLU 174 Ca 0.06 0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.60 1ia3 s GLU 174 Cb -0.22 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1ia3 s GLU 174 CO -0.04 -0.19 0.12 -0.51 0.02 0.00 0.00 175.26 174.66 1ia3 s ASP 175 N -3.49 5.85 -1.22 -0.19 1.01 -1.26 -4.69 116.67 112.68 1ia3 s ASP 175 Ca 0.52 0.14 -0.29 0.00 0.71 0.00 0.00 52.55 53.63 1ia3 s ASP 175 Cb -0.10 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.16 1ia3 s ASP 175 CO 0.37 0.21 0.66 0.47 0.21 0.00 0.00 175.17 177.10 1ia3 n ASP 176 N 0.71 -4.01 -4.74 0.27 10.43 -1.23 -4.87 116.55 113.12 1ia3 n ASP 176 Ca -0.09 -1.24 -0.41 0.00 2.57 0.00 0.00 54.79 55.62 1ia3 n ASP 176 Cb 0.52 -2.06 -0.03 0.00 1.84 0.00 0.00 41.12 41.39 1ia3 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia3 s ILE 177 N -3.57 3.20 -0.08 0.53 1.01 -0.45 -4.72 121.20 117.11 1ia3 s ILE 177 Ca 0.45 0.97 0.04 0.00 0.00 0.00 0.00 60.65 62.12 1ia3 s ILE 177 Cb -0.23 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ia3 s ILE 177 CO 0.95 0.14 -0.21 -0.54 0.00 0.00 0.00 174.94 175.28 1ia3 s LYS 178 N 0.01 2.86 -0.22 2.79 1.02 -1.26 -0.59 119.74 124.35 1ia3 s LYS 178 Ca 0.58 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.70 1ia3 s LYS 178 Cb -0.37 -2.33 0.09 0.00 -0.52 0.00 0.00 37.83 34.71 1ia3 s LYS 178 CO 0.38 0.32 0.18 -1.21 -0.92 0.00 0.00 175.35 174.10 1ia3 s GLU 179 N 0.01 0.17 6.50 1.68 2.02 -0.34 -5.02 118.70 123.73 1ia3 s GLU 179 Ca -0.07 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1ia3 s GLU 179 Cb -0.15 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.79 1ia3 s GLU 179 CO 0.05 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1ia3 n GLY 180 N 5.30 2.56 0.31 -1.39 0.00 -1.26 -1.79 105.19 108.93 1ia3 n GLY 180 Ca -0.06 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.73 1ia3 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia3 n ASP 181 N 3.63 1.04 -4.84 1.61 9.92 -1.26 -4.88 116.55 121.77 1ia3 n ASP 181 Ca 0.00 -1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 52.71 1ia3 n ASP 181 Cb 0.00 0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.43 1ia3 n ASP 181 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ia3 s PHE 182 N -2.16 3.67 -0.06 1.24 0.08 -0.74 -4.23 117.98 115.78 1ia3 s PHE 182 Ca 0.36 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.48 1ia3 s PHE 182 Cb 0.21 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 40.32 1ia3 s PHE 182 CO 0.39 0.53 -0.20 0.99 -0.10 0.00 0.00 175.22 176.83 1ia3 s THR 183 N -1.30 1.65 0.08 0.64 2.01 -0.69 -1.20 115.64 116.85 1ia3 s THR 183 Ca 0.32 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1ia3 s THR 183 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1ia3 s THR 183 CO 0.18 0.47 0.11 -0.72 -0.69 0.00 0.00 174.62 173.97 1ia3 s TYR 184 N 0.11 0.33 0.00 4.92 1.13 0.24 0.41 117.35 124.49 1ia3 s TYR 184 Ca -0.07 -0.79 -0.05 0.00 -1.41 0.00 0.00 57.07 54.74 1ia3 s TYR 184 Cb -0.14 -0.19 -0.00 0.00 -1.10 0.00 0.00 41.96 40.53 1ia3 s TYR 184 CO 0.04 -0.50 0.09 -0.80 -2.51 0.00 0.00 175.55 171.87 1ia3 s ASN 185 N -2.90 0.07 0.00 -0.18 -0.87 -0.81 -1.34 114.94 108.91 1ia3 s ASN 185 Ca 0.07 -0.25 -0.17 0.00 -1.57 0.00 0.00 52.86 50.94 1ia3 s ASN 185 Cb 0.06 0.18 -0.06 0.00 -0.02 0.00 0.00 41.25 41.41 1ia3 s ASN 185 CO -0.09 -0.33 0.49 -0.31 -2.57 0.00 0.00 177.10 174.29 1ia3 s TYR 186 N -1.30 3.71 0.09 2.20 2.02 -1.26 -0.37 117.35 122.44 1ia3 s TYR 186 Ca -0.14 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.66 1ia3 s TYR 186 Cb -0.08 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1ia3 s TYR 186 CO 0.01 0.51 -0.05 0.95 -1.57 0.00 0.00 175.55 175.40 1ia3 s THR 187 N -0.69 0.56 -0.03 -0.71 -4.23 -0.64 -4.95 115.64 104.95 1ia3 s THR 187 Ca 0.27 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1ia3 s THR 187 Cb -0.17 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 1ia3 s THR 187 CO 0.15 -0.87 -0.17 -0.22 -0.54 0.00 0.00 174.62 172.96 1ia3 s LEU 188 N -3.02 1.96 0.06 4.79 2.96 -1.26 -2.37 118.68 121.81 1ia3 s LEU 188 Ca 0.12 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1ia3 s LEU 188 Cb 0.06 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 1ia3 s LEU 188 CO -0.05 0.18 -0.16 0.26 -1.32 0.00 0.00 176.35 175.25 1ia3 s TRP 189 N -0.14 1.40 0.17 5.38 0.52 -0.05 -0.79 118.94 125.42 1ia3 s TRP 189 Ca 0.01 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.75 1ia3 s TRP 189 Cb -0.10 -0.80 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1ia3 s TRP 189 CO 0.01 0.08 -0.05 0.95 0.02 0.00 0.00 176.95 177.96 1ia3 s THR 190 N -1.06 1.01 0.40 2.01 -4.23 -0.37 -1.31 115.64 112.09 1ia3 s THR 190 Ca 0.02 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 1ia3 s THR 190 Cb -0.09 -2.02 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 1ia3 s THR 190 CO 0.02 -0.59 1.14 -0.13 -0.54 0.00 0.00 174.62 174.53 1ia3 s ARG 191 N -3.82 4.08 0.00 3.99 0.52 -1.25 -0.17 118.95 122.30 1ia3 s ARG 191 Ca 0.21 1.77 0.21 0.00 -0.52 0.00 0.00 55.73 57.41 1ia3 s ARG 191 Cb 0.04 -2.65 1.28 0.00 0.52 0.00 0.00 34.95 34.14 1ia3 s ARG 191 CO 0.03 -0.28 1.66 0.36 0.02 0.00 0.00 175.30 177.09