#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia1 s LEU 2 N 0.00 4.27 0.03 -0.89 1.43 -1.26 -5.04 118.68 117.22 1ia1 s LEU 2 Ca 0.00 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.17 1ia1 s LEU 2 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 1ia1 s LEU 2 CO 0.00 -0.34 -0.08 -0.54 0.23 0.00 0.00 176.35 175.62 1ia1 s LYS 3 N -2.19 0.55 0.76 1.70 1.02 -1.26 -5.15 119.74 115.18 1ia1 s LYS 3 Ca 0.53 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1ia1 s LYS 3 Cb -0.23 -0.40 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1ia1 s LYS 3 CO 0.30 0.08 1.08 -1.25 -0.92 0.00 0.00 175.35 174.64 1ia1 s PRO 4 N -1.25 2.38 -0.38 -1.68 0.04 -1.26 -5.02 135.00 127.83 1ia1 s PRO 4 Ca -0.06 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1ia1 s PRO 4 Cb -0.08 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1ia1 s PRO 4 CO 0.00 -1.45 0.23 1.21 0.04 0.00 0.00 177.00 177.04 1ia1 s ASN 5 N -3.84 5.85 0.03 6.66 2.47 -1.26 -4.98 114.94 119.87 1ia1 s ASN 5 Ca 0.60 -0.89 0.08 0.00 0.42 0.00 0.00 52.86 53.07 1ia1 s ASN 5 Cb -0.14 -2.07 -0.02 0.00 -1.45 0.00 0.00 41.25 37.56 1ia1 s ASN 5 CO 0.55 -0.38 -0.23 0.54 -3.72 0.00 0.00 177.10 173.86 1ia1 s VAL 6 N 1.61 1.83 0.02 -5.21 0.11 -1.25 -0.65 120.40 116.85 1ia1 s VAL 6 Ca 0.03 -1.20 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1ia1 s VAL 6 Cb -0.19 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.08 1ia1 s VAL 6 CO 0.08 0.32 -0.02 0.00 -3.33 0.00 0.00 175.10 172.14 1ia1 s ALA 7 N -0.74 0.09 -0.10 1.54 0.00 -0.57 -1.52 121.76 120.46 1ia1 s ALA 7 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 1ia1 s ALA 7 Cb -0.09 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1ia1 s ALA 7 CO 0.01 -0.16 0.21 0.42 0.00 0.00 0.00 175.76 176.24 1ia1 s ILE 8 N -1.44 5.38 -0.08 0.00 1.01 -0.59 -0.32 121.20 125.17 1ia1 s ILE 8 Ca -0.16 0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.89 1ia1 s ILE 8 Cb -0.10 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1ia1 s ILE 8 CO -0.01 0.58 -0.15 -0.51 0.00 0.00 0.00 174.94 174.85 1ia1 s ILE 9 N -0.85 1.38 0.08 2.92 2.07 -0.48 -0.18 121.20 126.14 1ia1 s ILE 9 Ca 0.17 -0.62 -0.20 0.00 -1.41 0.00 0.00 60.65 58.59 1ia1 s ILE 9 Cb -0.13 -1.24 0.05 0.00 0.13 0.00 0.00 42.46 41.27 1ia1 s ILE 9 CO 0.06 0.41 0.47 0.54 -1.91 0.00 0.00 174.94 174.51 1ia1 s VAL 10 N 0.60 0.04 -0.13 4.00 0.11 -0.33 -4.56 120.40 120.13 1ia1 s VAL 10 Ca -0.15 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1ia1 s VAL 10 Cb -0.16 -1.03 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1ia1 s VAL 10 CO 0.05 -0.20 -0.19 0.00 -3.33 0.00 0.00 175.10 171.43 1ia1 s ALA 11 N -2.97 2.38 0.03 1.54 0.00 -1.26 -0.68 121.76 120.79 1ia1 s ALA 11 Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1ia1 s ALA 11 Cb -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1ia1 s ALA 11 CO -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 175.76 175.77 1ia1 s ALA 12 N 0.57 0.34 -0.22 0.00 0.00 -0.24 -4.68 121.76 117.53 1ia1 s ALA 12 Ca -0.11 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 1ia1 s ALA 12 Cb -0.16 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1ia1 s ALA 12 CO 0.04 -0.09 0.36 -1.17 0.00 0.00 0.00 175.76 174.90 1ia1 s LEU 13 N -1.49 4.13 0.53 0.00 2.96 -0.52 -0.81 118.68 123.49 1ia1 s LEU 13 Ca -0.13 0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 54.07 1ia1 s LEU 13 Cb -0.10 -2.45 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 1ia1 s LEU 13 CO -0.00 -0.07 0.97 -0.54 -1.32 0.00 0.00 176.35 175.38 1ia1 s LYS 14 N 1.38 3.84 0.27 1.98 1.02 0.46 0.06 119.74 128.75 1ia1 s LYS 14 Ca 0.17 0.83 0.18 0.00 0.02 0.00 0.00 55.97 57.17 1ia1 s LYS 14 Cb -0.15 -2.16 0.09 0.00 -0.52 0.00 0.00 37.83 35.10 1ia1 s LYS 14 CO 0.08 -0.32 1.34 -1.00 -0.92 0.00 0.00 175.35 174.53 1ia1 h PRO 15 N 0.64 0.00 0.00 -1.68 0.13 -1.97 -3.44 132.00 125.67 1ia1 h PRO 15 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ia1 h PRO 15 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ia1 h PRO 15 CO 0.62 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1ia1 h ALA 16 N 1.67 1.00 -4.38 -0.56 0.00 -1.99 -3.47 119.26 111.54 1ia1 h ALA 16 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1ia1 h ALA 16 Cb 1.27 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.17 1ia1 h ALA 16 CO 0.04 0.00 -0.49 1.28 0.00 0.00 0.00 179.25 180.07 1ia1 n LEU 17 N -2.57 -3.21 -4.76 0.00 4.77 0.11 -4.60 117.00 106.74 1ia1 n LEU 17 Ca 0.02 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.21 1ia1 n LEU 17 Cb 0.30 -2.24 -0.05 0.00 -2.33 0.00 0.00 43.42 39.09 1ia1 n LEU 17 CO 0.24 0.32 0.70 -0.83 -1.33 0.00 0.00 177.39 176.50 1ia1 s GLY 18 N -3.65 3.02 0.00 -0.72 0.00 -1.01 -1.04 107.32 103.92 1ia1 s GLY 18 Ca 0.15 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1ia1 s GLY 18 CO 0.49 1.25 0.00 1.39 0.00 0.00 0.00 173.10 176.23 1ia1 n ILE 19 N 1.12 0.00 -3.75 0.90 -0.00 -0.11 -1.43 119.36 116.09 1ia1 n ILE 19 Ca -0.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 62.75 62.56 1ia1 n ILE 19 Cb 0.47 0.65 -0.01 0.00 -0.00 0.00 0.00 39.64 40.75 1ia1 n ILE 19 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1ia1 s GLY 20 N -1.32 -0.22 -0.24 7.39 0.00 -1.18 -4.60 107.32 107.15 1ia1 s GLY 20 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.80 1ia1 s GLY 20 CO 0.00 0.43 0.53 -0.47 0.00 0.00 0.00 173.10 173.60 1ia1 s TYR 21 N -2.92 -0.98 -1.61 1.90 5.04 0.34 -1.57 117.35 117.56 1ia1 s TYR 21 Ca 0.14 1.83 -0.15 0.00 -2.44 0.00 0.00 57.07 56.45 1ia1 s TYR 21 Cb -0.00 0.51 0.12 0.00 0.35 0.00 0.00 41.96 42.93 1ia1 s TYR 21 CO 0.01 -0.52 0.86 1.63 -1.34 0.00 0.00 175.55 176.19 1ia1 n LYS 22 N 5.04 -4.32 -0.90 4.97 4.01 -1.26 -0.89 118.16 124.81 1ia1 n LYS 22 Ca -0.14 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 1ia1 n LYS 22 Cb 0.52 -5.26 0.00 0.00 -0.51 0.00 0.00 35.03 29.78 1ia1 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ia1 n GLY 23 N -1.57 0.66 3.33 0.72 0.00 -1.26 -5.02 105.19 102.05 1ia1 n GLY 23 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1ia1 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ia1 s LYS 24 N -0.10 1.41 0.14 1.61 -2.85 -0.07 -4.95 119.74 114.94 1ia1 s LYS 24 Ca 0.00 -1.76 -0.27 0.00 -1.00 0.00 0.00 55.97 52.95 1ia1 s LYS 24 Cb 0.00 -0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 35.30 1ia1 s LYS 24 CO 0.00 -0.24 0.82 -1.64 0.10 0.00 0.00 175.35 174.39 1ia1 s MET 25 N -3.98 4.62 0.00 1.78 -1.94 -1.26 -0.50 119.30 118.01 1ia1 s MET 25 Ca 0.35 1.23 0.15 0.00 -1.71 0.00 0.00 55.69 55.71 1ia1 s MET 25 Cb 0.08 -3.30 0.89 0.00 2.01 0.00 0.00 34.83 34.51 1ia1 s MET 25 CO 0.13 0.45 1.31 -2.30 -0.01 0.00 0.00 175.02 174.60 1ia1 n PRO 26 N 1.99 0.51 -4.08 2.03 -0.02 -1.26 -4.79 135.00 129.38 1ia1 n PRO 26 Ca -0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1ia1 n PRO 26 Cb 0.49 -1.46 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 1ia1 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1ia1 s TRP 27 N -2.00 0.68 -0.32 6.00 -2.14 -1.26 -5.01 118.94 114.89 1ia1 s TRP 27 Ca 0.22 -1.06 -0.01 0.00 2.66 0.00 0.00 56.10 57.92 1ia1 s TRP 27 Cb 0.10 -0.33 0.10 0.00 -3.10 0.00 0.00 33.47 30.24 1ia1 s TRP 27 CO 0.17 -0.58 0.10 0.50 -2.66 0.00 0.00 176.95 174.49 1ia1 s ARG 28 N -4.01 0.76 -0.28 3.25 3.52 -1.26 -5.08 118.95 115.84 1ia1 s ARG 28 Ca 0.21 -1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1ia1 s ARG 28 Cb 0.06 -2.04 0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1ia1 s ARG 28 CO 0.00 -0.99 -0.01 -0.51 -0.81 0.00 0.00 175.30 172.98 1ia1 s LEU 29 N 1.54 3.65 0.07 -0.88 1.43 -1.26 -5.01 118.68 118.23 1ia1 s LEU 29 Ca 0.10 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 1ia1 s LEU 29 Cb -0.18 -1.72 -0.12 0.00 0.03 0.00 0.00 46.19 44.21 1ia1 s LEU 29 CO -0.24 -0.21 1.59 0.03 0.23 0.00 0.00 176.35 177.75 1ia1 h ARG 30 N 8.04 0.21 -0.28 1.70 3.08 -2.00 -1.53 114.38 123.61 1ia1 h ARG 30 Ca -0.27 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.61 1ia1 h ARG 30 Cb 1.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1ia1 h ARG 30 CO 0.56 0.34 -0.34 0.87 -1.07 0.00 0.00 179.97 180.33 1ia1 h LYS 31 N 0.04 0.61 -0.41 0.04 1.57 -1.99 -2.84 116.57 113.60 1ia1 h LYS 31 Ca 0.04 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1ia1 h LYS 31 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1ia1 h LYS 31 CO -0.00 0.87 0.03 1.49 -0.57 0.00 0.00 179.45 181.27 1ia1 h GLU 32 N 0.51 0.70 -0.85 3.15 4.22 -1.95 -0.85 114.58 119.51 1ia1 h GLU 32 Ca 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1ia1 h GLU 32 Cb 0.83 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1ia1 h GLU 32 CO 0.07 0.77 0.49 0.82 -2.18 0.00 0.00 179.01 178.97 1ia1 h ILE 33 N 0.54 1.24 -0.41 2.32 2.04 -1.24 -0.67 117.51 121.33 1ia1 h ILE 33 Ca 0.12 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ia1 h ILE 33 Cb 0.43 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1ia1 h ILE 33 CO 0.01 0.26 0.25 -0.09 0.00 0.00 0.00 178.15 178.59 1ia1 h ARG 34 N 1.18 0.55 -0.26 2.37 9.65 -1.17 -0.93 114.38 125.77 1ia1 h ARG 34 Ca 0.30 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.16 1ia1 h ARG 34 Cb -0.01 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1ia1 h ARG 34 CO -0.05 0.40 0.08 -0.92 2.80 0.00 0.00 179.97 182.28 1ia1 h TYR 35 N 0.54 0.14 -0.32 2.20 5.03 -0.81 -0.50 116.97 123.25 1ia1 h TYR 35 Ca 0.15 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1ia1 h TYR 35 Cb -0.01 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.18 1ia1 h TYR 35 CO -0.04 0.06 -0.15 0.35 -1.32 0.00 0.00 178.16 177.07 1ia1 h PHE 36 N 0.19 -0.36 -0.07 -3.82 3.04 -0.82 -0.55 116.94 114.56 1ia1 h PHE 36 Ca 0.12 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1ia1 h PHE 36 Cb 0.09 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1ia1 h PHE 36 CO -0.14 -0.22 0.00 -0.22 -2.02 0.00 0.00 178.31 175.72 1ia1 h LYS 37 N -0.09 0.03 -0.00 1.11 3.64 -0.96 -1.99 116.57 118.30 1ia1 h LYS 37 Ca 0.16 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ia1 h LYS 37 Cb 0.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1ia1 h LYS 37 CO -0.38 0.02 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.25 1ia1 h ASP 38 N 0.03 -0.36 -0.49 4.20 3.45 -0.76 -2.16 116.42 120.33 1ia1 h ASP 38 Ca 0.03 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.47 1ia1 h ASP 38 Cb 0.03 0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1ia1 h ASP 38 CO -0.05 -0.18 0.01 0.58 -1.57 0.00 0.00 179.24 178.04 1ia1 h VAL 39 N -0.21 1.26 0.00 -1.35 2.07 -1.11 -0.48 116.25 116.43 1ia1 h VAL 39 Ca 0.04 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1ia1 h VAL 39 Cb 0.27 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ia1 h VAL 39 CO -0.12 0.37 0.00 0.71 0.02 0.00 0.00 177.57 178.55 1ia1 h THR 40 N 0.72 0.00 0.08 2.57 1.35 -1.36 -3.30 112.91 112.98 1ia1 h THR 40 Ca 0.14 -0.66 -0.37 0.00 -0.55 0.00 0.00 66.41 64.97 1ia1 h THR 40 Cb 0.50 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.52 1ia1 h THR 40 CO 0.02 0.00 -2.12 0.41 -0.25 0.00 0.00 175.52 173.58 1ia1 n THR 41 N -2.69 1.69 -1.77 6.82 -1.04 -0.81 -4.60 114.28 111.88 1ia1 n THR 41 Ca 0.04 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.05 60.99 1ia1 n THR 41 Cb 0.43 -1.59 -0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1ia1 n THR 41 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1ia1 n ARG 42 N -3.39 2.71 -4.37 -2.82 0.63 -0.21 -4.67 116.66 104.55 1ia1 n ARG 42 Ca -0.35 0.95 -0.18 0.00 -0.92 0.00 0.00 57.85 57.35 1ia1 n ARG 42 Cb 1.04 -2.70 -0.10 0.00 0.45 0.00 0.00 32.46 31.14 1ia1 n ARG 42 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1ia1 s THR 43 N -0.84 0.87 -0.64 5.15 -4.23 -1.26 -4.91 115.64 109.77 1ia1 s THR 43 Ca 0.56 -2.01 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 1ia1 s THR 43 Cb -0.48 -2.64 0.12 0.00 1.34 0.00 0.00 72.50 70.84 1ia1 s THR 43 CO 0.60 -0.06 1.43 0.71 -0.54 0.00 0.00 174.62 176.76 1ia1 h THR 44 N 2.31 0.00 -3.80 3.99 1.35 -1.96 -3.46 112.91 111.34 1ia1 h THR 44 Ca -0.39 -0.52 -0.14 0.00 -0.55 0.00 0.00 66.41 64.80 1ia1 h THR 44 Cb 1.24 1.21 -0.19 0.00 -1.73 0.00 0.00 68.15 68.68 1ia1 h THR 44 CO 0.65 0.00 -0.58 -1.59 -0.25 0.00 0.00 175.52 173.75 1ia1 s LYS 45 N -3.16 0.47 0.77 4.72 -2.85 -1.26 -5.16 119.74 113.28 1ia1 s LYS 45 Ca 0.07 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.97 54.29 1ia1 s LYS 45 Cb 0.13 0.18 0.06 0.00 -2.06 0.00 0.00 37.83 36.14 1ia1 s LYS 45 CO 0.69 -0.11 1.11 -2.14 0.10 0.00 0.00 175.35 175.00 1ia1 s PRO 46 N -1.98 2.21 -1.37 1.78 0.02 -1.26 -3.62 135.00 130.77 1ia1 s PRO 46 Ca -0.11 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.18 1ia1 s PRO 46 Cb -0.05 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1ia1 s PRO 46 CO -0.02 -1.70 0.18 0.09 -0.33 0.00 0.00 177.00 175.22 1ia1 n ASN 47 N -3.36 -5.07 -4.21 2.53 3.02 -1.26 -5.00 115.26 101.92 1ia1 n ASN 47 Ca 0.10 -0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1ia1 n ASN 47 Cb 0.53 -4.07 -0.10 0.00 -0.61 0.00 0.00 39.78 35.52 1ia1 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ia1 s THR 48 N -2.92 0.85 0.26 3.41 -4.23 -1.24 -5.18 115.64 106.60 1ia1 s THR 48 Ca 0.09 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1ia1 s THR 48 Cb -0.04 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1ia1 s THR 48 CO 0.11 -0.78 0.34 0.00 -0.54 0.00 0.00 174.62 173.75 1ia1 s ARG 49 N -3.82 1.53 0.43 3.99 1.70 -1.26 -4.88 118.95 116.65 1ia1 s ARG 49 Ca 0.15 -1.58 0.07 0.00 -0.47 0.00 0.00 55.73 53.90 1ia1 s ARG 49 Cb 0.04 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1ia1 s ARG 49 CO -0.02 -0.59 0.22 -0.80 -1.08 0.00 0.00 175.30 173.03 1ia1 s ASN 50 N -3.16 4.51 0.19 -2.89 0.01 -1.26 -1.16 114.94 111.18 1ia1 s ASN 50 Ca 0.32 -1.08 0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1ia1 s ASN 50 Cb 0.02 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.29 1ia1 s ASN 50 CO 0.15 -0.63 -0.13 0.00 -1.51 0.00 0.00 177.10 174.97 1ia1 s ALA 51 N -2.62 2.85 -0.08 0.60 0.00 -0.56 -0.93 121.76 121.02 1ia1 s ALA 51 Ca 0.40 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1ia1 s ALA 51 Cb 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1ia1 s ALA 51 CO 0.22 0.45 -0.21 0.14 0.00 0.00 0.00 175.76 176.36 1ia1 s VAL 52 N -1.74 1.76 -0.11 0.00 -7.23 0.63 -0.86 120.40 112.86 1ia1 s VAL 52 Ca 0.24 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1ia1 s VAL 52 Cb -0.08 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1ia1 s VAL 52 CO 0.14 0.49 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.68 1ia1 s ILE 53 N 0.28 3.23 0.09 -0.62 1.01 0.73 -0.98 121.20 124.94 1ia1 s ILE 53 Ca -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1ia1 s ILE 53 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1ia1 s ILE 53 CO 0.06 0.55 0.09 0.00 0.00 0.00 0.00 174.94 175.64 1ia1 s MET 54 N -0.05 0.80 0.60 2.79 0.23 -0.19 -1.36 119.30 122.13 1ia1 s MET 54 Ca -0.02 -1.16 -0.14 0.00 -1.03 0.00 0.00 55.69 53.34 1ia1 s MET 54 Cb -0.14 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1ia1 s MET 54 CO 0.04 -0.22 1.04 0.20 -2.03 0.00 0.00 175.02 174.04 1ia1 s GLY 55 N -2.93 1.93 0.28 3.16 0.00 -0.29 -1.17 107.32 108.31 1ia1 s GLY 55 Ca 0.10 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.01 1ia1 s GLY 55 CO -0.07 0.50 1.92 -0.09 0.00 0.00 0.00 173.10 175.36 1ia1 h ARG 56 N 0.16 1.11 -0.32 2.90 2.43 -1.64 -1.82 114.38 117.20 1ia1 h ARG 56 Ca -0.46 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 1ia1 h ARG 56 Cb 1.20 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1ia1 h ARG 56 CO 0.59 0.73 0.13 0.87 -1.51 0.00 0.00 179.97 180.78 1ia1 h LYS 57 N 1.14 0.49 -0.56 0.20 1.57 -1.93 -0.95 116.57 116.52 1ia1 h LYS 57 Ca 0.38 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1ia1 h LYS 57 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1ia1 h LYS 57 CO -0.12 0.49 0.37 1.15 -0.57 0.00 0.00 179.45 180.77 1ia1 h THR 58 N 0.37 1.13 -0.11 -0.16 2.02 -1.82 -2.39 112.91 111.95 1ia1 h THR 58 Ca 0.11 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1ia1 h THR 58 Cb 0.19 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1ia1 h THR 58 CO -0.01 0.14 -0.12 -0.25 0.37 0.00 0.00 175.52 175.65 1ia1 h TRP 59 N 0.75 -0.30 0.00 3.16 2.91 -1.06 -2.43 115.95 118.98 1ia1 h TRP 59 Ca 0.21 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 1ia1 h TRP 59 Cb -0.07 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1ia1 h TRP 59 CO -0.04 -0.18 -0.01 0.93 -1.03 0.00 0.00 178.44 178.11 1ia1 h GLU 60 N -0.15 0.00 0.00 2.65 5.08 -1.01 -2.04 114.58 119.11 1ia1 h GLU 60 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ia1 h GLU 60 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ia1 h GLU 60 CO -0.20 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.69 1ia1 n SER 61 N -3.15 0.00 -4.66 1.42 3.41 -0.92 -4.65 113.62 105.06 1ia1 n SER 61 Ca -0.02 0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 1ia1 n SER 61 Cb 0.14 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1ia1 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ia1 s ILE 62 N -2.75 5.17 0.26 -1.33 1.01 -0.77 -5.04 121.20 117.76 1ia1 s ILE 62 Ca 0.19 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1ia1 s ILE 62 Cb 0.17 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 1ia1 s ILE 62 CO 0.41 0.22 1.30 -2.65 0.00 0.00 0.00 174.94 174.22 1ia1 n PRO 63 N 4.64 1.87 0.20 2.79 -0.02 -1.26 -4.84 135.00 138.38 1ia1 n PRO 63 Ca -0.07 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 1ia1 n PRO 63 Cb 0.51 -2.24 0.81 0.00 -0.02 0.00 0.00 33.50 32.55 1ia1 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia1 h GLN 64 N 3.39 0.00 0.00 -0.52 3.07 -1.94 0.20 115.11 119.31 1ia1 h GLN 64 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1ia1 h GLN 64 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1ia1 h GLN 64 CO 0.70 0.00 0.00 1.57 0.09 0.00 0.00 178.83 181.19 1ia1 h LYS 65 N 0.00 0.00 -0.67 0.06 -0.00 -2.02 -3.24 116.57 110.70 1ia1 h LYS 65 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.76 1ia1 h LYS 65 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 1ia1 h LYS 65 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 180.64 1ia1 n PHE 66 N -2.68 0.90 -4.46 0.07 3.72 0.69 -4.93 117.46 110.77 1ia1 n PHE 66 Ca 0.05 -0.50 -0.28 0.00 -0.05 0.00 0.00 57.45 56.66 1ia1 n PHE 66 Cb 0.48 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.88 1ia1 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia1 s ARG 67 N -1.01 1.41 0.88 -1.08 1.70 -1.22 -4.12 118.95 115.52 1ia1 s ARG 67 Ca 0.45 -1.27 -0.12 0.00 -0.47 0.00 0.00 55.73 54.32 1ia1 s ARG 67 Cb 0.23 -1.81 0.12 0.00 -0.57 0.00 0.00 34.95 32.92 1ia1 s ARG 67 CO 0.31 0.44 1.11 -1.25 -1.08 0.00 0.00 175.30 174.82 1ia1 s PRO 68 N -1.88 1.41 0.09 3.89 0.04 -1.26 -4.99 135.00 132.30 1ia1 s PRO 68 Ca 0.12 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.37 1ia1 s PRO 68 Cb -0.10 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1ia1 s PRO 68 CO 0.05 -2.06 1.72 -0.51 0.04 0.00 0.00 177.00 176.24 1ia1 s LEU 69 N -6.02 4.38 0.63 -3.56 1.43 -1.26 -4.92 118.68 109.36 1ia1 s LEU 69 Ca 0.63 2.59 -0.16 0.00 -1.03 0.00 0.00 54.13 56.16 1ia1 s LEU 69 Cb -0.16 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1ia1 s LEU 69 CO 0.55 -0.93 1.11 -2.16 0.23 0.00 0.00 176.35 175.14 1ia1 s PRO 70 N 2.68 2.97 -0.10 1.29 0.04 -1.26 -3.73 135.00 136.89 1ia1 s PRO 70 Ca 0.77 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1ia1 s PRO 70 Cb -0.42 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ia1 s PRO 70 CO 0.34 -1.12 0.00 -0.25 0.04 0.00 0.00 177.00 176.00 1ia1 n ASP 71 N -2.13 -4.52 -4.03 6.66 10.43 -1.26 -4.98 116.55 116.71 1ia1 n ASP 71 Ca 0.10 0.02 -0.08 0.00 2.57 0.00 0.00 54.79 57.41 1ia1 n ASP 71 Cb 0.52 -2.10 -0.10 0.00 1.84 0.00 0.00 41.12 41.27 1ia1 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1ia1 s ARG 72 N -1.19 0.49 -0.06 -1.24 0.52 -1.24 -4.50 118.95 111.73 1ia1 s ARG 72 Ca 0.00 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1ia1 s ARG 72 Cb 0.00 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1ia1 s ARG 72 CO 0.00 -0.09 0.99 -1.17 0.02 0.00 0.00 175.30 175.05 1ia1 s LEU 73 N -2.25 4.30 -0.23 2.53 2.96 -0.11 -4.83 118.68 121.05 1ia1 s LEU 73 Ca -0.04 1.58 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 1ia1 s LEU 73 Cb -0.00 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1ia1 s LEU 73 CO -0.06 -0.36 0.11 0.20 -1.32 0.00 0.00 176.35 174.92 1ia1 s ASN 74 N 1.06 5.67 -0.15 3.68 0.02 0.19 -0.27 114.94 125.14 1ia1 s ASN 74 Ca 0.50 -0.01 0.01 0.00 -1.02 0.00 0.00 52.86 52.34 1ia1 s ASN 74 Cb -0.19 -2.01 0.00 0.00 0.02 0.00 0.00 41.25 39.06 1ia1 s ASN 74 CO 0.22 0.06 -0.16 -0.63 0.02 0.00 0.00 177.10 176.61 1ia1 s ILE 75 N 1.10 2.59 -0.08 0.60 1.01 -0.16 -1.24 121.20 125.02 1ia1 s ILE 75 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1ia1 s ILE 75 Cb -0.14 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1ia1 s ILE 75 CO 0.04 0.52 -0.20 -0.63 0.00 0.00 0.00 174.94 174.67 1ia1 s ILE 76 N 0.83 2.49 -0.11 2.92 1.09 -0.09 -1.02 121.20 127.31 1ia1 s ILE 76 Ca -0.05 -0.90 -0.06 0.00 -1.10 0.00 0.00 60.65 58.54 1ia1 s ILE 76 Cb -0.15 -1.96 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 1ia1 s ILE 76 CO -0.01 0.56 0.11 -0.76 -0.10 0.00 0.00 174.94 174.75 1ia1 s LEU 77 N -0.07 4.20 -0.25 2.97 1.43 -0.32 -1.46 118.68 125.17 1ia1 s LEU 77 Ca -0.05 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1ia1 s LEU 77 Cb -0.14 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.11 1ia1 s LEU 77 CO 0.04 0.39 0.66 -0.55 0.23 0.00 0.00 176.35 177.13 1ia1 s SER 78 N -1.05 -0.75 0.00 2.29 0.15 -1.03 -1.54 113.70 111.77 1ia1 s SER 78 Ca 0.15 1.36 0.12 0.00 0.70 0.00 0.00 55.95 58.29 1ia1 s SER 78 Cb -0.12 1.34 0.52 0.00 -1.71 0.00 0.00 66.02 66.04 1ia1 s SER 78 CO 0.04 -0.23 1.39 0.54 1.20 0.00 0.00 173.24 176.18 1ia1 n ARG 79 N 3.24 0.00 0.00 5.44 1.74 -1.26 -2.10 116.66 123.72 1ia1 n ARG 79 Ca -0.16 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 1ia1 n ARG 79 Cb 0.56 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.68 1ia1 n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ia1 n SER 80 N -1.51 1.73 -4.89 0.55 7.64 -1.26 -4.97 113.62 110.91 1ia1 n SER 80 Ca 0.03 -1.34 -0.29 0.00 1.01 0.00 0.00 58.87 58.28 1ia1 n SER 80 Cb 0.14 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 1ia1 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ia1 s TYR 81 N -2.40 3.52 -0.04 1.43 2.02 -0.89 -5.08 117.35 115.90 1ia1 s TYR 81 Ca 0.23 0.96 -0.03 0.00 -0.37 0.00 0.00 57.07 57.86 1ia1 s TYR 81 Cb 0.19 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1ia1 s TYR 81 CO 0.51 -0.22 0.14 -1.21 -1.57 0.00 0.00 175.55 173.20 1ia1 s GLU 82 N -4.33 3.35 0.03 -0.62 0.41 -1.26 -4.35 118.70 111.93 1ia1 s GLU 82 Ca 0.50 -0.31 -0.31 0.00 -0.41 0.00 0.00 54.97 54.44 1ia1 s GLU 82 Cb -0.10 -3.06 -0.10 0.00 -1.78 0.00 0.00 34.13 29.08 1ia1 s GLU 82 CO 0.39 0.70 1.91 0.09 -0.49 0.00 0.00 175.26 177.85 1ia1 n ASN 83 N 1.31 3.93 -3.66 -0.19 5.03 -1.26 -4.56 115.26 115.86 1ia1 n ASN 83 Ca -0.14 0.95 -0.12 0.00 0.87 0.00 0.00 54.58 56.13 1ia1 n ASN 83 Cb 0.53 -1.49 -0.08 0.00 -1.02 0.00 0.00 39.78 37.72 1ia1 n ASN 83 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ia1 s GLU 84 N 3.83 0.69 -0.35 3.52 2.12 -0.36 -5.00 118.70 123.15 1ia1 s GLU 84 Ca 0.88 0.92 -0.18 0.00 0.36 0.00 0.00 54.97 56.94 1ia1 s GLU 84 Cb -0.52 0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.15 1ia1 s GLU 84 CO 0.43 -0.10 0.52 0.42 -0.54 0.00 0.00 175.26 175.99 1ia1 s ILE 85 N 0.64 5.01 -0.06 -3.70 1.01 -1.26 -0.78 121.20 122.05 1ia1 s ILE 85 Ca -0.03 0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.82 1ia1 s ILE 85 Cb -0.05 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 1ia1 s ILE 85 CO -0.04 -0.21 0.73 0.40 0.00 0.00 0.00 174.94 175.83 1ia1 h ILE 86 N 5.61 0.77 -1.79 2.92 2.04 -1.52 -3.49 117.51 122.04 1ia1 h ILE 86 Ca -0.28 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1ia1 h ILE 86 Cb 1.12 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1ia1 h ILE 86 CO 0.77 0.21 0.00 -0.90 0.00 0.00 0.00 178.15 178.24 1ia1 n ASP 87 N -4.89 0.00 0.30 1.72 3.85 -1.11 -5.00 116.55 111.42 1ia1 n ASP 87 Ca -0.07 -0.79 0.20 0.00 -0.71 0.00 0.00 54.79 53.42 1ia1 n ASP 87 Cb 0.25 0.00 1.01 0.00 -1.35 0.00 0.00 41.12 41.03 1ia1 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia1 h ASP 88 N 0.00 0.00 0.00 -1.12 -0.00 -2.02 -3.06 116.42 110.21 1ia1 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ia1 h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ia1 h ASP 88 CO 0.00 0.00 -0.47 0.59 -0.00 0.00 0.00 179.24 179.36 1ia1 n ASN 89 N -2.98 0.58 -4.03 2.28 5.03 -1.26 -4.89 115.26 109.99 1ia1 n ASN 89 Ca -0.02 -0.66 -0.23 0.00 0.87 0.00 0.00 54.58 54.54 1ia1 n ASN 89 Cb 0.13 1.03 -0.16 0.00 -1.02 0.00 0.00 39.78 39.76 1ia1 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ia1 s ILE 90 N -1.86 1.04 -0.01 2.41 1.01 -1.16 -0.63 121.20 122.00 1ia1 s ILE 90 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1ia1 s ILE 90 Cb 0.06 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1ia1 s ILE 90 CO 0.35 0.32 -0.11 -0.63 0.00 0.00 0.00 174.94 174.88 1ia1 s ILE 91 N 0.44 0.86 -0.11 2.92 1.01 -0.37 -1.16 121.20 124.78 1ia1 s ILE 91 Ca -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1ia1 s ILE 91 Cb -0.13 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1ia1 s ILE 91 CO 0.02 0.22 0.05 -1.00 0.00 0.00 0.00 174.94 174.23 1ia1 s HIS 92 N -0.29 3.29 -0.01 3.97 3.76 0.04 -0.91 115.29 125.13 1ia1 s HIS 92 Ca 0.04 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 1ia1 s HIS 92 Cb -0.04 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1ia1 s HIS 92 CO -0.00 0.47 -0.08 0.00 -0.85 0.00 0.00 174.74 174.28 1ia1 s ALA 93 N -0.66 0.64 -1.50 -1.40 0.00 -0.54 -1.23 121.76 117.07 1ia1 s ALA 93 Ca 0.11 -0.33 0.25 0.00 0.00 0.00 0.00 51.96 51.99 1ia1 s ALA 93 Cb -0.12 -0.16 0.49 0.00 0.00 0.00 0.00 23.12 23.33 1ia1 s ALA 93 CO 0.02 0.16 1.39 -1.13 0.00 0.00 0.00 175.76 176.20 1ia1 n SER 94 N 2.89 1.00 -3.78 0.00 3.41 -1.26 -2.46 113.62 113.43 1ia1 n SER 94 Ca -0.13 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.58 1ia1 n SER 94 Cb 0.57 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 1ia1 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia1 s SER 95 N -2.69 -0.18 0.19 4.04 1.04 -1.26 -4.57 113.70 110.27 1ia1 s SER 95 Ca 0.18 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1ia1 s SER 95 Cb 0.18 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.95 1ia1 s SER 95 CO 0.61 -0.99 1.80 0.40 0.98 0.00 0.00 173.24 176.04 1ia1 h ILE 96 N 2.31 1.22 -0.83 -1.02 2.04 -2.00 -1.93 117.51 117.30 1ia1 h ILE 96 Ca -0.30 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1ia1 h ILE 96 Cb 1.25 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1ia1 h ILE 96 CO 0.41 0.25 0.53 -0.33 0.00 0.00 0.00 178.15 179.01 1ia1 h GLU 97 N 0.95 0.98 -0.48 2.37 3.07 -1.99 -1.67 114.58 117.80 1ia1 h GLU 97 Ca 0.24 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1ia1 h GLU 97 Cb 0.07 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1ia1 h GLU 97 CO -0.04 0.65 0.05 0.77 -1.40 0.00 0.00 179.01 179.05 1ia1 h SER 98 N 1.01 0.78 -0.77 1.42 0.02 -1.91 -3.04 113.55 111.06 1ia1 h SER 98 Ca 0.34 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1ia1 h SER 98 Cb 0.05 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1ia1 h SER 98 CO -0.13 0.86 0.51 0.77 -1.14 0.00 0.00 176.83 177.70 1ia1 h SER 99 N 0.68 0.78 0.45 3.07 4.64 -0.53 -1.41 113.55 121.23 1ia1 h SER 99 Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ia1 h SER 99 Cb 0.43 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ia1 h SER 99 CO 0.01 0.53 -0.01 0.18 -0.87 0.00 0.00 176.83 176.67 1ia1 n LEU 100 N -4.46 0.05 -0.89 5.97 4.77 -0.81 -2.43 117.00 119.19 1ia1 n LEU 100 Ca 0.11 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1ia1 n LEU 100 Cb 0.16 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1ia1 n LEU 100 CO 0.34 0.01 0.60 0.59 -1.33 0.00 0.00 177.39 177.60 1ia1 n ASN 101 N -1.20 2.87 -0.80 -1.43 5.03 -0.56 -4.45 115.26 114.71 1ia1 n ASN 101 Ca 0.16 -1.90 0.02 0.00 0.87 0.00 0.00 54.58 53.73 1ia1 n ASN 101 Cb 0.22 -0.03 0.20 0.00 -1.02 0.00 0.00 39.78 39.15 1ia1 n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ia1 n LEU 102 N 1.23 3.30 -1.35 3.41 4.77 -1.01 -4.66 117.00 122.68 1ia1 n LEU 102 Ca 0.13 -3.76 -0.01 0.00 -0.03 0.00 0.00 56.01 52.34 1ia1 n LEU 102 Cb 0.54 -0.57 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1ia1 n LEU 102 CO 0.14 1.27 0.21 1.33 -1.33 0.00 0.00 177.39 179.01 1ia1 n VAL 103 N -1.12 1.66 0.26 4.08 0.24 -1.26 -4.84 118.33 117.35 1ia1 n VAL 103 Ca 0.25 -2.90 0.14 0.00 -2.04 0.00 0.00 64.34 59.79 1ia1 n VAL 103 Cb 0.83 0.03 0.66 0.00 -1.47 0.00 0.00 33.84 33.89 1ia1 n VAL 103 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ia1 h SER 104 N 1.43 0.00 -0.64 -1.34 0.02 -1.91 -3.14 113.55 107.97 1ia1 h SER 104 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ia1 h SER 104 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1ia1 h SER 104 CO 0.20 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.47 1ia1 n ASP 105 N -3.32 3.51 -4.63 3.07 8.00 -1.26 -5.02 116.55 116.90 1ia1 n ASP 105 Ca -0.00 -1.99 -0.27 0.00 0.71 0.00 0.00 54.79 53.23 1ia1 n ASP 105 Cb 0.32 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 1ia1 n ASP 105 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ia1 s VAL 106 N -1.15 2.10 -0.10 2.53 -7.23 -1.19 -4.70 120.40 110.66 1ia1 s VAL 106 Ca 0.44 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1ia1 s VAL 106 Cb 0.23 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1ia1 s VAL 106 CO 0.30 -0.03 -0.09 -0.08 -0.31 0.00 0.00 175.10 174.89 1ia1 h GLU 107 N 1.75 0.00 -6.50 4.82 4.81 -1.47 -3.48 114.58 114.50 1ia1 h GLU 107 Ca -0.44 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.15 1ia1 h GLU 107 Cb 1.24 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.46 1ia1 h GLU 107 CO 0.78 0.00 -0.79 1.03 -0.73 0.00 0.00 179.01 179.30 1ia1 s ARG 108 N -1.79 1.66 -0.11 1.92 0.52 -1.26 -4.55 118.95 115.34 1ia1 s ARG 108 Ca -0.07 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 53.63 1ia1 s ARG 108 Cb 0.01 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 1ia1 s ARG 108 CO 0.11 0.39 -0.16 0.08 0.02 0.00 0.00 175.30 175.74 1ia1 s VAL 109 N -1.84 2.78 -0.17 3.52 1.01 0.18 -1.50 120.40 124.39 1ia1 s VAL 109 Ca 0.23 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1ia1 s VAL 109 Cb -0.08 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1ia1 s VAL 109 CO 0.12 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.26 1ia1 s PHE 110 N 0.24 2.82 -0.34 5.22 0.08 -0.04 -1.51 117.98 124.45 1ia1 s PHE 110 Ca -0.11 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.65 1ia1 s PHE 110 Cb -0.16 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1ia1 s PHE 110 CO 0.06 -0.50 0.79 0.42 -0.10 0.00 0.00 175.22 175.89 1ia1 s ILE 111 N 0.95 4.76 -1.80 0.64 1.01 0.57 -0.19 121.20 127.13 1ia1 s ILE 111 Ca -0.03 1.02 0.17 0.00 0.00 0.00 0.00 60.65 61.81 1ia1 s ILE 111 Cb -0.15 -4.18 0.28 0.00 0.01 0.00 0.00 42.46 38.41 1ia1 s ILE 111 CO -0.02 -0.36 1.19 2.30 0.00 0.00 0.00 174.94 178.05 1ia1 n ILE 112 N 5.68 0.43 0.00 2.92 -5.35 -0.46 -1.39 119.36 121.20 1ia1 n ILE 112 Ca 0.03 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1ia1 n ILE 112 Cb 0.48 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1ia1 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia1 n GLY 113 N 0.99 1.36 0.00 3.28 0.00 -1.26 -4.94 105.19 104.62 1ia1 n GLY 113 Ca 0.13 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ia1 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia1 n GLY 114 N -1.23 1.43 0.26 -0.02 0.00 -1.26 -1.13 105.19 103.24 1ia1 n GLY 114 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 1ia1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia1 h ALA 115 N -1.30 0.38 -0.10 4.61 0.00 -1.97 -0.74 119.26 120.14 1ia1 h ALA 115 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ia1 h ALA 115 Cb 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ia1 h ALA 115 CO 0.00 -0.45 0.06 1.49 0.00 0.00 0.00 179.25 180.35 1ia1 h GLU 116 N -0.02 0.13 0.07 0.00 4.81 -1.95 -0.64 114.58 116.98 1ia1 h GLU 116 Ca 0.31 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1ia1 h GLU 116 Cb 0.49 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1ia1 h GLU 116 CO -0.68 0.08 -0.18 0.82 -0.73 0.00 0.00 179.01 178.32 1ia1 h ILE 117 N 0.13 0.58 -0.51 2.32 1.08 -1.76 -1.31 117.51 118.04 1ia1 h ILE 117 Ca 0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1ia1 h ILE 117 Cb -0.01 0.58 -0.09 0.00 -3.07 0.00 0.00 36.82 34.23 1ia1 h ILE 117 CO -0.01 0.00 -0.05 1.88 -0.69 0.00 0.00 178.15 179.27 1ia1 h TYR 118 N -0.33 -0.13 0.00 1.37 0.05 -0.99 -0.78 116.97 116.15 1ia1 h TYR 118 Ca 0.04 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1ia1 h TYR 118 Cb 0.37 0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1ia1 h TYR 118 CO -0.20 -0.16 -0.15 -0.91 -1.05 0.00 0.00 178.16 175.69 1ia1 h ASN 119 N 0.06 0.00 1.08 3.88 2.35 -0.62 -1.77 115.58 120.56 1ia1 h ASN 119 Ca 0.25 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.81 1ia1 h ASN 119 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1ia1 h ASN 119 CO -0.47 0.15 -0.92 -0.33 -1.65 0.00 0.00 177.43 174.21 1ia1 h GLU 120 N 0.00 0.00 0.00 0.81 5.08 -0.60 -3.37 114.58 116.50 1ia1 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ia1 h GLU 120 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ia1 h GLU 120 CO 0.02 0.91 -1.37 1.28 -1.00 0.00 0.00 179.01 178.85 1ia1 n LEU 121 N -3.33 0.47 -0.03 1.33 4.77 -0.36 -4.50 117.00 115.36 1ia1 n LEU 121 Ca 0.00 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 1ia1 n LEU 121 Cb 0.91 -0.05 0.44 0.00 -2.33 0.00 0.00 43.42 42.39 1ia1 n LEU 121 CO 0.46 -0.00 1.17 -0.29 -1.33 0.00 0.00 177.39 177.40 1ia1 h ILE 122 N 0.00 1.04 -0.30 -0.08 6.09 -1.53 -1.15 117.51 121.59 1ia1 h ILE 122 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1ia1 h ILE 122 Cb 0.86 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.63 1ia1 h ILE 122 CO 0.00 0.10 0.00 0.59 -3.07 0.00 0.00 178.15 175.77 1ia1 n ASN 123 N -4.47 2.45 -4.70 2.19 5.03 -1.26 -4.89 115.26 109.60 1ia1 n ASN 123 Ca 0.05 -1.86 -0.42 0.00 0.87 0.00 0.00 54.58 53.22 1ia1 n ASN 123 Cb 0.15 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 1ia1 n ASN 123 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1ia1 s ASN 124 N -1.44 7.20 0.66 6.41 3.04 -0.44 -4.92 114.94 125.45 1ia1 s ASN 124 Ca 0.34 1.46 0.42 0.00 0.04 0.00 0.00 52.86 55.12 1ia1 s ASN 124 Cb 0.19 -2.52 2.30 0.00 -1.54 0.00 0.00 41.25 39.68 1ia1 s ASN 124 CO 0.27 -0.32 2.32 0.77 -3.04 0.00 0.00 177.10 177.10 1ia1 h SER 125 N 6.97 0.00 0.42 -4.21 4.64 -1.90 -1.50 113.55 117.97 1ia1 h SER 125 Ca -0.36 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 1ia1 h SER 125 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1ia1 h SER 125 CO 0.80 0.00 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.28 1ia1 h LEU 126 N 0.00 0.00 -8.89 5.97 3.38 -1.92 -3.42 115.31 110.44 1ia1 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ia1 h LEU 126 Cb 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1ia1 h LEU 126 CO -0.00 0.41 0.97 -0.69 0.09 0.00 0.00 178.44 179.22 1ia1 s VAL 127 N -4.09 4.15 -0.77 1.22 1.01 -0.57 -3.87 120.40 117.48 1ia1 s VAL 127 Ca -0.02 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.29 1ia1 s VAL 127 Cb 0.14 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1ia1 s VAL 127 CO 0.73 -0.62 0.64 -1.54 0.00 0.00 0.00 175.10 174.31 1ia1 n SER 128 N 7.80 1.35 -3.90 3.32 3.41 -0.58 -4.92 113.62 120.11 1ia1 n SER 128 Ca 0.14 -1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 57.46 1ia1 n SER 128 Cb 0.47 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.47 1ia1 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia1 s HIS 129 N -0.76 0.08 -0.13 7.33 3.76 -1.24 -4.34 115.29 119.99 1ia1 s HIS 129 Ca 0.07 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 1ia1 s HIS 129 Cb 0.06 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.69 1ia1 s HIS 129 CO 0.12 -0.05 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.27 1ia1 s LEU 130 N -0.37 2.37 -0.38 0.89 1.43 -0.78 -1.54 118.68 120.29 1ia1 s LEU 130 Ca -0.04 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1ia1 s LEU 130 Cb -0.03 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1ia1 s LEU 130 CO -0.00 0.12 0.18 -0.76 0.23 0.00 0.00 176.35 176.11 1ia1 s LEU 131 N 0.62 4.80 -0.17 1.79 1.02 0.74 -0.91 118.68 126.57 1ia1 s LEU 131 Ca -0.10 -1.46 -0.01 0.00 0.02 0.00 0.00 54.13 52.58 1ia1 s LEU 131 Cb -0.16 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.15 1ia1 s LEU 131 CO 0.03 -0.45 -0.13 -0.63 0.02 0.00 0.00 176.35 175.19 1ia1 s ILE 132 N 1.36 2.78 -0.38 -0.59 1.01 -0.86 -1.19 121.20 123.33 1ia1 s ILE 132 Ca 0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1ia1 s ILE 132 Cb -0.22 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1ia1 s ILE 132 CO 0.01 0.50 0.80 -0.89 0.00 0.00 0.00 174.94 175.35 1ia1 s THR 133 N 1.04 4.70 -0.37 2.92 2.01 0.14 -1.30 115.64 124.77 1ia1 s THR 133 Ca -0.01 0.82 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 1ia1 s THR 133 Cb -0.15 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1ia1 s THR 133 CO -0.03 -0.51 0.64 -1.61 -0.69 0.00 0.00 174.62 172.42 1ia1 s GLU 134 N 3.19 3.59 -0.12 4.92 2.02 -0.26 -1.08 118.70 130.96 1ia1 s GLU 134 Ca 0.32 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 55.21 1ia1 s GLU 134 Cb -0.13 -3.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1ia1 s GLU 134 CO 0.18 -0.79 0.09 0.42 0.02 0.00 0.00 175.26 175.18 1ia1 s ILE 135 N 2.73 5.05 0.12 -1.63 1.01 0.01 -1.98 121.20 126.50 1ia1 s ILE 135 Ca 0.24 0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1ia1 s ILE 135 Cb -0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1ia1 s ILE 135 CO 0.16 0.58 -0.17 -1.61 0.00 0.00 0.00 174.94 173.90 1ia1 s GLU 136 N -0.70 1.07 -0.02 2.79 2.02 0.11 -0.41 118.70 123.56 1ia1 s GLU 136 Ca 0.12 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.79 1ia1 s GLU 136 Cb -0.12 -1.13 0.02 0.00 0.10 0.00 0.00 34.13 33.00 1ia1 s GLU 136 CO 0.03 0.24 0.25 -1.58 0.02 0.00 0.00 175.26 174.22 1ia1 s HIS 137 N -1.67 -0.12 0.56 1.61 2.46 -1.26 -1.08 115.29 115.80 1ia1 s HIS 137 Ca 0.08 0.17 0.25 0.00 0.47 0.00 0.00 55.06 56.03 1ia1 s HIS 137 Cb -0.08 0.05 1.56 0.00 -0.13 0.00 0.00 32.58 33.99 1ia1 s HIS 137 CO 0.04 -0.34 2.14 -1.35 -2.47 0.00 0.00 174.74 172.77 1ia1 h PRO 138 N 4.16 0.00 -1.40 2.88 0.11 -2.01 -3.31 132.00 132.43 1ia1 h PRO 138 Ca -0.30 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.41 1ia1 h PRO 138 Cb 1.18 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.01 1ia1 h PRO 138 CO 0.40 0.00 -0.81 -1.13 -0.21 0.00 0.00 178.00 176.24 1ia1 n SER 139 N -4.09 -1.42 -0.07 -2.05 3.41 -1.26 -4.99 113.62 103.15 1ia1 n SER 139 Ca 0.00 -2.81 0.16 0.00 -0.26 0.00 0.00 58.87 55.96 1ia1 n SER 139 Cb 0.23 0.44 0.58 0.00 -0.26 0.00 0.00 64.21 65.21 1ia1 n SER 139 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ia1 h PRO 140 N 4.56 0.22 -0.04 4.33 0.13 -1.90 -0.62 132.00 138.69 1ia1 h PRO 140 Ca 0.06 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1ia1 h PRO 140 Cb 0.97 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ia1 h PRO 140 CO 0.33 0.15 0.09 1.05 -0.23 0.00 0.00 178.00 179.38 1ia1 h GLU 141 N 0.23 0.00 0.00 0.86 -0.00 -1.94 0.04 114.58 113.78 1ia1 h GLU 141 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 1ia1 h GLU 141 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.58 1ia1 h GLU 141 CO -0.06 0.00 0.00 0.77 -0.00 0.00 0.00 179.01 179.72 1ia1 h SER 142 N 0.00 0.00 -3.62 3.06 0.02 -1.54 -3.43 113.55 108.04 1ia1 h SER 142 Ca 0.02 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.35 1ia1 h SER 142 Cb 0.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.61 1ia1 h SER 142 CO -0.00 0.00 -0.21 -0.63 -1.14 0.00 0.00 176.83 174.85 1ia1 s ILE 143 N -3.14 5.18 0.11 3.27 -1.09 0.00 -5.04 121.20 120.49 1ia1 s ILE 143 Ca 0.09 0.64 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 1ia1 s ILE 143 Cb 0.11 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1ia1 s ILE 143 CO 0.60 0.19 1.06 -1.61 -1.23 0.00 0.00 174.94 173.95 1ia1 s GLU 144 N 1.79 4.59 -0.02 2.79 2.02 -1.26 -5.04 118.70 123.57 1ia1 s GLU 144 Ca 0.17 1.61 -0.25 0.00 0.02 0.00 0.00 54.97 56.52 1ia1 s GLU 144 Cb -0.15 -3.35 0.05 0.00 0.10 0.00 0.00 34.13 30.78 1ia1 s GLU 144 CO 0.09 0.04 0.54 0.00 0.02 0.00 0.00 175.26 175.95 1ia1 s MET 145 N 0.21 0.95 0.00 1.61 0.23 -1.26 -4.68 119.30 116.36 1ia1 s MET 145 Ca 0.51 0.02 0.00 0.00 -1.03 0.00 0.00 55.69 55.18 1ia1 s MET 145 Cb -0.26 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 1ia1 s MET 145 CO 0.31 -0.30 0.40 -0.40 -2.03 0.00 0.00 175.02 173.00 1ia1 n ASP 146 N 0.87 0.77 -3.94 -1.18 5.68 -0.61 -4.98 116.55 113.16 1ia1 n ASP 146 Ca -0.19 -1.08 -0.21 0.00 -0.50 0.00 0.00 54.79 52.80 1ia1 n ASP 146 Cb 0.58 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.39 1ia1 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ia1 s THR 147 N -0.08 0.75 0.07 2.12 2.01 -1.13 -5.01 115.64 114.37 1ia1 s THR 147 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1ia1 s THR 147 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1ia1 s THR 147 CO 0.00 0.27 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.79 1ia1 s PHE 148 N 0.78 0.69 0.26 4.92 0.40 -1.26 -0.93 117.98 122.84 1ia1 s PHE 148 Ca -0.13 -0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 55.07 1ia1 s PHE 148 Cb -0.15 -0.44 -0.08 0.00 0.51 0.00 0.00 43.02 42.86 1ia1 s PHE 148 CO 0.02 -0.27 0.67 -0.51 0.70 0.00 0.00 175.22 175.83 1ia1 s LEU 149 N -2.93 4.19 -0.56 -0.37 1.43 -0.21 -4.90 118.68 115.33 1ia1 s LEU 149 Ca 0.09 1.22 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1ia1 s LEU 149 Cb 0.06 -3.77 0.25 0.00 0.03 0.00 0.00 46.19 42.76 1ia1 s LEU 149 CO -0.07 -0.08 0.66 0.29 0.23 0.00 0.00 176.35 177.38 1ia1 n LYS 150 N 0.11 1.89 -4.21 1.70 4.76 -1.26 -4.91 118.16 116.24 1ia1 n LYS 150 Ca 0.00 -4.18 -0.35 0.00 -2.87 0.00 0.00 58.31 50.91 1ia1 n LYS 150 Cb 0.52 -1.91 -0.09 0.00 -1.84 0.00 0.00 35.03 31.72 1ia1 n LYS 150 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ia1 s PHE 151 N -2.00 3.27 -1.30 2.13 0.08 -1.26 -4.95 117.98 113.95 1ia1 s PHE 151 Ca 0.38 0.24 -0.13 0.00 0.12 0.00 0.00 56.93 57.54 1ia1 s PHE 151 Cb 0.15 -1.87 0.13 0.00 -0.57 0.00 0.00 43.02 40.86 1ia1 s PHE 151 CO -0.05 0.47 1.80 -0.35 -0.10 0.00 0.00 175.22 176.99 1ia1 n PRO 152 N 2.36 3.34 0.30 0.24 -0.04 -1.26 -4.76 135.00 135.18 1ia1 n PRO 152 Ca -0.19 -3.41 0.19 0.00 -0.04 0.00 0.00 63.50 60.05 1ia1 n PRO 152 Cb 0.54 -3.11 0.97 0.00 -0.04 0.00 0.00 33.50 31.86 1ia1 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ia1 h LEU 153 N 9.50 0.00 -2.29 1.53 3.38 -1.95 -0.21 115.31 125.27 1ia1 h LEU 153 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1ia1 h LEU 153 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ia1 h LEU 153 CO 1.54 0.00 -0.04 1.05 0.09 0.00 0.00 178.44 181.09 1ia1 h GLU 154 N 0.00 0.00 -0.40 1.13 9.09 -2.03 -1.70 114.58 120.67 1ia1 h GLU 154 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1ia1 h GLU 154 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1ia1 h GLU 154 CO -0.00 0.04 0.00 0.43 0.05 0.00 0.00 179.01 179.52 1ia1 n SER 155 N -3.32 2.67 -4.27 3.06 7.64 -0.09 -4.91 113.62 114.39 1ia1 n SER 155 Ca -0.02 -1.92 -0.16 0.00 1.01 0.00 0.00 58.87 57.78 1ia1 n SER 155 Cb 0.17 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 1ia1 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia1 s TRP 156 N -1.48 1.40 -0.06 1.43 0.52 -0.64 -1.15 118.94 118.96 1ia1 s TRP 156 Ca 0.35 -0.68 0.03 0.00 0.02 0.00 0.00 56.10 55.82 1ia1 s TRP 156 Cb 0.19 -0.69 0.00 0.00 -1.15 0.00 0.00 33.47 31.82 1ia1 s TRP 156 CO 0.26 0.17 -0.17 0.99 0.02 0.00 0.00 176.95 178.22 1ia1 s THR 157 N -3.09 1.46 -0.14 2.01 2.01 0.10 -4.79 115.64 113.21 1ia1 s THR 157 Ca 0.17 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1ia1 s THR 157 Cb 0.01 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1ia1 s THR 157 CO 0.03 0.42 1.11 -0.75 -0.69 0.00 0.00 174.62 174.74 1ia1 s LYS 158 N 0.33 4.33 0.59 4.92 2.20 -1.26 -1.48 119.74 129.37 1ia1 s LYS 158 Ca -0.11 1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 56.91 1ia1 s LYS 158 Cb -0.15 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1ia1 s LYS 158 CO 0.04 -0.49 0.95 -0.65 -0.36 0.00 0.00 175.35 174.84 1ia1 s GLN 159 N 2.62 3.36 0.77 4.03 -1.52 0.70 -4.99 119.66 124.63 1ia1 s GLN 159 Ca 0.50 0.42 -0.13 0.00 -1.95 0.00 0.00 55.36 54.21 1ia1 s GLN 159 Cb -0.20 -2.19 0.06 0.00 -0.22 0.00 0.00 33.01 30.47 1ia1 s GLN 159 CO 0.15 -0.56 1.15 -2.14 -0.25 0.00 0.00 175.29 173.65 1ia1 s PRO 160 N -5.05 1.99 0.32 2.91 0.02 -1.26 -4.63 135.00 129.30 1ia1 s PRO 160 Ca 0.53 1.52 0.06 0.00 0.02 0.00 0.00 61.00 63.13 1ia1 s PRO 160 Cb -0.11 -1.84 0.74 0.00 0.02 0.00 0.00 34.50 33.31 1ia1 s PRO 160 CO 0.50 -1.90 1.81 -0.22 -0.33 0.00 0.00 177.00 176.86 1ia1 h LYS 161 N -0.82 0.76 -0.45 5.54 3.64 -1.97 -0.86 116.57 122.41 1ia1 h LYS 161 Ca -0.45 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1ia1 h LYS 161 Cb 1.27 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1ia1 h LYS 161 CO 0.49 0.50 0.30 0.66 -2.27 0.00 0.00 179.45 179.13 1ia1 h SER 162 N 0.78 0.31 -0.02 4.20 4.64 -1.99 0.14 113.55 121.61 1ia1 h SER 162 Ca 0.53 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.68 1ia1 h SER 162 Cb 0.81 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1ia1 h SER 162 CO -0.31 0.20 -0.60 -0.33 -0.87 0.00 0.00 176.83 174.92 1ia1 h GLU 163 N 0.35 0.62 -0.26 4.77 4.39 -1.51 -1.77 114.58 121.17 1ia1 h GLU 163 Ca 0.20 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 1ia1 h GLU 163 Cb 0.34 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1ia1 h GLU 163 CO -0.05 1.04 0.03 1.25 -1.16 0.00 0.00 179.01 180.12 1ia1 h LEU 164 N 0.47 0.43 -1.07 1.33 5.85 -1.13 -2.35 115.31 118.83 1ia1 h LEU 164 Ca -0.00 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1ia1 h LEU 164 Cb 1.17 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1ia1 h LEU 164 CO 0.12 0.60 0.62 -0.61 -0.34 0.00 0.00 178.44 178.83 1ia1 h GLN 165 N 0.24 1.02 -0.59 1.25 5.75 -0.70 -1.53 115.11 120.55 1ia1 h GLN 165 Ca 0.08 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1ia1 h GLN 165 Cb 0.36 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1ia1 h GLN 165 CO 0.01 0.67 0.07 0.87 -2.65 0.00 0.00 178.83 177.80 1ia1 h LYS 166 N 1.05 0.96 -0.38 1.69 1.57 -1.04 -2.15 116.57 118.27 1ia1 h LYS 166 Ca 0.44 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1ia1 h LYS 166 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1ia1 h LYS 166 CO -0.19 0.90 0.11 0.35 -0.57 0.00 0.00 179.45 180.05 1ia1 h PHE 167 N 0.90 0.62 -0.00 -1.35 3.04 -0.78 -3.23 116.94 116.13 1ia1 h PHE 167 Ca 0.18 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1ia1 h PHE 167 Cb 0.43 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1ia1 h PHE 167 CO 0.03 0.59 -0.37 1.33 -2.02 0.00 0.00 178.31 177.87 1ia1 n VAL 168 N -4.61 0.00 0.00 1.41 0.24 -0.71 -5.03 118.33 109.63 1ia1 n VAL 168 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1ia1 n VAL 168 Cb 0.18 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1ia1 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ia1 n GLY 169 N 1.46 1.99 0.23 7.63 0.00 -0.82 -3.07 105.19 112.61 1ia1 n GLY 169 Ca 0.07 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.84 1ia1 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ia1 h ASP 170 N 0.00 0.00 -1.65 1.61 5.19 -1.95 -3.45 116.42 116.18 1ia1 h ASP 170 Ca 0.00 0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 55.71 1ia1 h ASP 170 Cb 0.00 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.55 1ia1 h ASP 170 CO 0.00 0.00 0.63 0.41 -3.12 0.00 0.00 179.24 177.16 1ia1 n THR 171 N -2.91 0.12 -2.46 0.35 -1.04 -1.18 -4.90 114.28 102.26 1ia1 n THR 171 Ca 0.02 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1ia1 n THR 171 Cb 0.35 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 1ia1 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia1 s VAL 172 N 1.63 4.17 -0.43 12.58 1.01 -1.26 -5.00 120.40 133.09 1ia1 s VAL 172 Ca 0.89 1.55 -0.00 0.00 0.00 0.00 0.00 61.98 64.42 1ia1 s VAL 172 Cb -0.99 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 31.52 1ia1 s VAL 172 CO 0.53 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 175.18 1ia1 s LEU 173 N 1.24 5.04 0.28 3.92 1.02 -1.26 -5.09 118.68 123.83 1ia1 s LEU 173 Ca 0.57 -2.28 -0.17 0.00 0.02 0.00 0.00 54.13 52.28 1ia1 s LEU 173 Cb -0.28 -1.76 -0.09 0.00 0.02 0.00 0.00 46.19 44.08 1ia1 s LEU 173 CO 0.28 -0.45 0.74 -1.61 0.02 0.00 0.00 176.35 175.33 1ia1 s GLU 174 N 0.77 4.12 0.32 1.70 2.02 -1.26 -5.06 118.70 121.31 1ia1 s GLU 174 Ca 0.11 0.77 -0.03 0.00 0.02 0.00 0.00 54.97 55.85 1ia1 s GLU 174 Cb -0.22 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1ia1 s GLU 174 CO -0.05 0.26 0.56 -0.51 0.02 0.00 0.00 175.26 175.55 1ia1 s ASP 175 N -1.99 6.37 -1.31 -0.19 1.01 -1.26 -4.59 116.67 114.71 1ia1 s ASP 175 Ca 0.49 0.62 -0.20 0.00 0.71 0.00 0.00 52.55 54.18 1ia1 s ASP 175 Cb -0.13 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.71 1ia1 s ASP 175 CO 0.19 -0.26 0.50 0.47 0.21 0.00 0.00 175.17 176.29 1ia1 n ASP 176 N -1.34 -2.61 -4.71 0.27 10.43 -1.20 -4.86 116.55 112.53 1ia1 n ASP 176 Ca -0.03 -1.21 -0.42 0.00 2.57 0.00 0.00 54.79 55.70 1ia1 n ASP 176 Cb 0.55 -2.11 -0.03 0.00 1.84 0.00 0.00 41.12 41.37 1ia1 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia1 s ILE 177 N -3.78 3.57 -0.13 0.53 1.01 -0.05 -4.75 121.20 117.60 1ia1 s ILE 177 Ca 0.31 1.09 -0.05 0.00 0.00 0.00 0.00 60.65 62.00 1ia1 s ILE 177 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ia1 s ILE 177 CO 0.95 0.06 0.05 -0.54 0.00 0.00 0.00 174.94 175.46 1ia1 s LYS 178 N 1.45 3.46 -0.20 2.79 1.02 -1.26 -1.19 119.74 125.81 1ia1 s LYS 178 Ca 0.63 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 56.25 1ia1 s LYS 178 Cb -0.34 -3.03 0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1ia1 s LYS 178 CO 0.29 0.56 0.18 -1.21 -0.92 0.00 0.00 175.35 174.25 1ia1 s GLU 179 N -0.45 0.15 7.16 1.68 2.02 -0.46 -5.03 118.70 123.78 1ia1 s GLU 179 Ca 0.09 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1ia1 s GLU 179 Cb -0.12 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1ia1 s GLU 179 CO 0.02 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.04 1ia1 n GLY 180 N 5.30 2.73 0.38 -1.39 0.00 -1.26 -1.71 105.19 109.25 1ia1 n GLY 180 Ca -0.06 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.81 1ia1 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia1 n ASP 181 N 4.82 1.29 -4.86 1.61 10.43 -1.26 -4.91 116.55 123.66 1ia1 n ASP 181 Ca 0.00 -1.25 -0.35 0.00 2.57 0.00 0.00 54.79 55.76 1ia1 n ASP 181 Cb 0.00 0.05 -0.06 0.00 1.84 0.00 0.00 41.12 42.95 1ia1 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ia1 s PHE 182 N -2.20 3.59 -0.05 1.24 0.08 -0.69 -4.24 117.98 115.71 1ia1 s PHE 182 Ca 0.33 0.89 0.02 0.00 0.12 0.00 0.00 56.93 58.29 1ia1 s PHE 182 Cb 0.20 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1ia1 s PHE 182 CO 0.41 0.49 -0.12 0.99 -0.10 0.00 0.00 175.22 176.89 1ia1 s THR 183 N -1.41 1.07 0.09 0.64 2.01 -0.24 -1.35 115.64 116.44 1ia1 s THR 183 Ca 0.34 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1ia1 s THR 183 Cb -0.14 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1ia1 s THR 183 CO 0.18 0.33 0.11 -0.72 -0.69 0.00 0.00 174.62 173.84 1ia1 s TYR 184 N 0.54 0.39 0.02 4.92 1.13 -0.33 0.06 117.35 124.08 1ia1 s TYR 184 Ca -0.11 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 1ia1 s TYR 184 Cb -0.14 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.48 1ia1 s TYR 184 CO 0.03 -0.50 -0.03 -0.80 -2.51 0.00 0.00 175.55 171.73 1ia1 s ASN 185 N -2.91 0.26 0.10 -0.18 -0.87 -0.84 -0.87 114.94 109.62 1ia1 s ASN 185 Ca 0.09 -0.44 -0.17 0.00 -1.57 0.00 0.00 52.86 50.77 1ia1 s ASN 185 Cb 0.06 0.08 -0.07 0.00 -0.02 0.00 0.00 41.25 41.31 1ia1 s ASN 185 CO -0.08 -0.26 0.55 -0.31 -2.57 0.00 0.00 177.10 174.43 1ia1 s TYR 186 N -1.28 3.71 0.04 2.20 2.02 -1.26 -1.10 117.35 121.68 1ia1 s TYR 186 Ca -0.14 1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1ia1 s TYR 186 Cb -0.09 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 1ia1 s TYR 186 CO -0.01 0.52 -0.02 0.95 -1.57 0.00 0.00 175.55 175.42 1ia1 s THR 187 N -1.27 0.16 -0.04 -0.71 -4.23 -0.42 -4.96 115.64 104.18 1ia1 s THR 187 Ca 0.33 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1ia1 s THR 187 Cb -0.17 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 1ia1 s THR 187 CO 0.19 -0.74 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.07 1ia1 s LEU 188 N -2.18 2.04 0.05 4.79 2.96 -1.26 -2.02 118.68 123.06 1ia1 s LEU 188 Ca -0.05 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1ia1 s LEU 188 Cb -0.01 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 1ia1 s LEU 188 CO -0.05 0.27 -0.12 0.26 -1.32 0.00 0.00 176.35 175.39 1ia1 s TRP 189 N -0.36 1.01 0.26 5.38 0.52 -0.09 -0.22 118.94 125.44 1ia1 s TRP 189 Ca 0.03 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.80 1ia1 s TRP 189 Cb -0.11 -0.59 -0.06 0.00 -1.15 0.00 0.00 33.47 31.56 1ia1 s TRP 189 CO 0.01 0.01 -0.02 0.95 0.02 0.00 0.00 176.95 177.92 1ia1 s THR 190 N -1.07 1.30 0.43 2.01 -4.23 -0.55 -1.87 115.64 111.66 1ia1 s THR 190 Ca -0.03 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.18 1ia1 s THR 190 Cb -0.09 -2.42 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 1ia1 s THR 190 CO 0.01 -0.29 1.11 -0.13 -0.54 0.00 0.00 174.62 174.78 1ia1 s ARG 191 N -3.81 3.94 0.00 3.99 0.52 -1.26 0.03 118.95 122.36 1ia1 s ARG 191 Ca 0.29 1.64 0.29 0.00 -0.52 0.00 0.00 55.73 57.43 1ia1 s ARG 191 Cb 0.05 -2.45 1.29 0.00 0.52 0.00 0.00 34.95 34.37 1ia1 s ARG 191 CO 0.10 -0.36 1.88 1.63 0.02 0.00 0.00 175.30 178.57