#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia4 s ILE 2 N 0.00 4.17 -0.37 1.12 1.01 -0.25 -4.92 121.20 121.97 3ia4 s ILE 2 Ca 0.00 1.59 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 3ia4 s ILE 2 Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.46 3ia4 s ILE 2 CO 0.00 0.14 0.25 -0.69 0.00 0.00 0.00 174.94 174.64 3ia4 s VAL 3 N 0.90 5.05 0.12 2.92 1.01 -1.26 -1.23 120.40 127.90 3ia4 s VAL 3 Ca 0.56 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3ia4 s VAL 3 Cb -0.28 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3ia4 s VAL 3 CO 0.30 -0.17 -0.12 -0.44 0.00 0.00 0.00 175.10 174.66 3ia4 s SER 4 N 1.66 4.24 0.01 3.32 0.01 -0.40 -0.13 113.70 122.41 3ia4 s SER 4 Ca 0.05 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.91 3ia4 s SER 4 Cb -0.18 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 3ia4 s SER 4 CO 0.09 0.17 -0.21 -0.04 0.41 0.00 0.00 173.24 173.65 3ia4 s MET 5 N -2.29 1.58 -0.05 12.44 -1.94 -0.55 -0.19 119.30 128.29 3ia4 s MET 5 Ca 0.21 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 3ia4 s MET 5 Cb -0.11 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.13 3ia4 s MET 5 CO 0.13 0.43 -0.15 -1.50 -0.01 0.00 0.00 175.02 173.91 3ia4 s ILE 6 N -0.63 1.33 0.11 2.53 2.07 -0.30 0.08 121.20 126.39 3ia4 s ILE 6 Ca 0.08 -0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 58.49 3ia4 s ILE 6 Cb -0.08 -1.17 0.05 0.00 0.13 0.00 0.00 42.46 41.39 3ia4 s ILE 6 CO 0.00 0.39 0.49 0.00 -1.91 0.00 0.00 174.94 173.91 3ia4 s ALA 7 N 0.29 -1.22 -0.19 1.50 0.00 -0.66 -4.54 121.76 116.93 3ia4 s ALA 7 Ca -0.09 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3ia4 s ALA 7 Cb -0.13 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.67 3ia4 s ALA 7 CO 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 175.76 174.98 3ia4 s ALA 8 N -3.40 2.42 -0.16 0.00 0.00 -1.26 -1.44 121.76 117.91 3ia4 s ALA 8 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 3ia4 s ALA 8 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3ia4 s ALA 8 CO -0.09 -0.44 -0.12 -0.51 0.00 0.00 0.00 175.76 174.59 3ia4 s LEU 9 N 1.30 2.67 0.00 0.00 1.02 0.81 -4.64 118.68 119.84 3ia4 s LEU 9 Ca 0.04 -0.39 -0.05 0.00 0.02 0.00 0.00 54.13 53.75 3ia4 s LEU 9 Cb -0.14 -1.62 0.07 0.00 0.02 0.00 0.00 46.19 44.53 3ia4 s LEU 9 CO -0.11 0.10 0.43 0.00 0.02 0.00 0.00 176.35 176.80 3ia4 n ALA 10 N 3.94 -0.42 -1.29 4.21 0.00 -0.43 -0.53 120.51 125.99 3ia4 n ALA 10 Ca -0.18 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.31 3ia4 n ALA 10 Cb 0.52 -0.01 0.11 0.00 0.00 0.00 0.00 19.45 20.07 3ia4 n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ia4 n ASN 11 N -3.24 1.09 -1.59 0.00 3.02 -0.05 -2.45 115.26 112.05 3ia4 n ASN 11 Ca 0.06 0.65 -0.18 0.00 -0.03 0.00 0.00 54.58 55.08 3ia4 n ASN 11 Cb 0.20 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.82 3ia4 n ASN 11 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ia4 n ASN 12 N -2.61 -5.23 -1.42 6.41 3.02 -1.26 -2.58 115.26 111.60 3ia4 n ASN 12 Ca 0.14 0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.84 3ia4 n ASN 12 Cb 0.50 -4.32 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 3ia4 n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ia4 n ARG 13 N -2.55 -1.21 -2.18 3.52 1.74 -1.02 -4.88 116.66 110.07 3ia4 n ARG 13 Ca -0.19 1.05 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 3ia4 n ARG 13 Cb 0.62 -5.31 -0.03 0.00 -1.02 0.00 0.00 32.46 26.72 3ia4 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ia4 s VAL 14 N -2.67 3.13 0.00 1.55 1.01 -1.07 -0.93 120.40 121.43 3ia4 s VAL 14 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3ia4 s VAL 14 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3ia4 s VAL 14 CO 0.00 0.13 0.00 2.30 0.00 0.00 0.00 175.10 177.53 3ia4 n ILE 15 N 2.70 0.00 -3.59 2.22 -5.35 -0.51 -1.32 119.36 113.51 3ia4 n ILE 15 Ca 0.07 -0.01 -0.12 0.00 -0.27 0.00 0.00 62.75 62.42 3ia4 n ILE 15 Cb 0.42 0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.76 3ia4 n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ia4 s GLY 16 N -1.84 -0.37 -0.20 3.28 0.00 -1.13 -4.66 107.32 102.40 3ia4 s GLY 16 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 3ia4 s GLY 16 CO 0.00 -0.07 0.48 -2.27 0.00 0.00 0.00 173.10 171.24 3ia4 s LEU 17 N -2.55 -0.36 -1.45 0.66 2.96 -0.14 -0.83 118.68 116.97 3ia4 s LEU 17 Ca 0.00 1.06 -0.10 0.00 -0.22 0.00 0.00 54.13 54.88 3ia4 s LEU 17 Cb 0.01 1.62 0.05 0.00 0.50 0.00 0.00 46.19 48.37 3ia4 s LEU 17 CO -0.09 -0.21 0.76 0.47 -1.32 0.00 0.00 176.35 175.96 3ia4 n ASP 18 N 4.37 -4.98 -1.84 3.68 8.00 -1.26 -1.89 116.55 122.63 3ia4 n ASP 18 Ca -0.21 -0.51 -0.20 0.00 0.71 0.00 0.00 54.79 54.57 3ia4 n ASP 18 Cb 0.56 -4.02 -0.06 0.00 -0.02 0.00 0.00 41.12 37.58 3ia4 n ASP 18 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ia4 n ASN 19 N -2.60 -5.54 -4.28 -2.24 5.15 -1.26 -4.99 115.26 99.50 3ia4 n ASN 19 Ca -0.02 0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 54.01 3ia4 n ASN 19 Cb 0.56 -4.71 -0.09 0.00 -0.53 0.00 0.00 39.78 35.01 3ia4 n ASN 19 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ia4 s LYS 20 N -4.22 1.81 -0.17 1.20 1.02 -0.79 -4.60 119.74 114.00 3ia4 s LYS 20 Ca 0.00 -2.07 -0.08 0.00 0.02 0.00 0.00 55.97 53.83 3ia4 s LYS 20 Cb 0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 3ia4 s LYS 20 CO 0.00 -0.36 0.11 -1.64 -0.92 0.00 0.00 175.35 172.54 3ia4 s MET 21 N -3.80 3.93 -0.49 1.68 -1.94 -1.26 -0.97 119.30 116.46 3ia4 s MET 21 Ca 0.28 -0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 53.97 3ia4 s MET 21 Cb 0.05 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 3ia4 s MET 21 CO 0.14 0.41 3.01 -0.35 -0.01 0.00 0.00 175.02 178.23 3ia4 n PRO 22 N 3.14 2.61 -3.48 2.03 -0.04 -1.26 -4.82 135.00 133.18 3ia4 n PRO 22 Ca -0.17 -2.04 -0.11 0.00 -0.04 0.00 0.00 63.50 61.13 3ia4 n PRO 22 Cb 0.53 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 3ia4 n PRO 22 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3ia4 s TRP 23 N -0.54 -0.48 -0.30 0.54 -2.14 -1.26 -5.01 118.94 109.76 3ia4 s TRP 23 Ca 0.62 0.24 -0.04 0.00 2.66 0.00 0.00 56.10 59.57 3ia4 s TRP 23 Cb 0.33 0.55 0.03 0.00 -3.10 0.00 0.00 33.47 31.28 3ia4 s TRP 23 CO -0.13 -0.87 0.03 -1.58 -2.66 0.00 0.00 176.95 171.74 3ia4 s HIS 24 N -3.77 3.18 -0.48 1.66 5.65 -1.26 -5.00 115.29 115.27 3ia4 s HIS 24 Ca 0.02 -1.43 0.06 0.00 0.25 0.00 0.00 55.06 53.96 3ia4 s HIS 24 Cb -0.01 -2.18 0.23 0.00 -1.18 0.00 0.00 32.58 29.44 3ia4 s HIS 24 CO -0.11 -0.70 0.79 -0.11 -0.65 0.00 0.00 174.74 173.96 3ia4 n LEU 25 N 4.75 -2.42 0.24 8.88 7.94 -1.26 -4.32 117.00 130.81 3ia4 n LEU 25 Ca -0.14 -3.51 0.07 0.00 -1.11 0.00 0.00 56.01 51.32 3ia4 n LEU 25 Cb 0.46 0.79 0.58 0.00 0.53 0.00 0.00 43.42 45.77 3ia4 n LEU 25 CO 0.29 2.00 0.94 1.55 -1.11 0.00 0.00 177.39 181.05 3ia4 h PRO 26 N 4.20 0.00 0.00 1.96 0.13 -1.95 -1.81 132.00 134.53 3ia4 h PRO 26 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 3ia4 h PRO 26 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3ia4 h PRO 26 CO 0.31 0.15 -0.12 0.00 -0.23 0.00 0.00 178.00 178.10 3ia4 h ALA 27 N 1.85 1.40 -0.08 -0.56 0.00 -1.96 -2.22 119.26 117.69 3ia4 h ALA 27 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ia4 h ALA 27 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ia4 h ALA 27 CO 0.02 0.16 -0.45 1.49 0.00 0.00 0.00 179.25 180.47 3ia4 h GLU 28 N 0.00 0.18 -0.21 0.00 4.22 -1.76 -2.48 114.58 114.54 3ia4 h GLU 28 Ca -0.00 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 59.27 3ia4 h GLU 28 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3ia4 h GLU 28 CO 0.02 0.60 -0.20 -0.07 -2.18 0.00 0.00 179.01 177.17 3ia4 h LEU 29 N 0.15 0.36 -0.73 1.64 3.38 -1.50 -0.83 115.31 117.77 3ia4 h LEU 29 Ca 0.01 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3ia4 h LEU 29 Cb 0.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3ia4 h LEU 29 CO 0.07 0.58 -0.35 1.56 0.09 0.00 0.00 178.44 180.38 3ia4 h GLN 30 N 0.34 0.56 -0.21 1.13 1.08 -1.43 -0.30 115.11 116.27 3ia4 h GLN 30 Ca 0.06 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3ia4 h GLN 30 Cb 0.55 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3ia4 h GLN 30 CO 0.04 0.83 0.11 1.25 -0.95 0.00 0.00 178.83 180.11 3ia4 h LEU 31 N 0.47 0.27 -0.78 1.46 6.46 -1.14 -0.13 115.31 121.92 3ia4 h LEU 31 Ca 0.05 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3ia4 h LEU 31 Cb 0.84 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 3ia4 h LEU 31 CO 0.07 0.29 0.49 0.15 -0.62 0.00 0.00 178.44 178.82 3ia4 h PHE 32 N 0.22 1.00 -0.43 1.25 3.57 -0.95 -2.19 116.94 119.42 3ia4 h PHE 32 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ia4 h PHE 32 Cb 0.09 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3ia4 h PHE 32 CO -0.03 0.66 0.28 -0.22 -2.23 0.00 0.00 178.31 176.76 3ia4 h LYS 33 N 1.06 0.55 -0.22 1.11 3.64 -0.65 -1.98 116.57 120.08 3ia4 h LYS 33 Ca 0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ia4 h LYS 33 Cb -0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3ia4 h LYS 33 CO -0.06 0.37 0.03 0.00 -2.27 0.00 0.00 179.45 177.52 3ia4 h ARG 34 N 0.57 0.32 0.00 1.90 3.08 -0.79 -0.66 114.38 118.80 3ia4 h ARG 34 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ia4 h ARG 34 Cb -0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3ia4 h ARG 34 CO -0.04 0.32 -0.28 0.00 -1.07 0.00 0.00 179.97 178.91 3ia4 h ALA 35 N 1.72 0.84 0.00 0.04 0.00 -0.97 -3.37 119.26 117.52 3ia4 h ALA 35 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3ia4 h ALA 35 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ia4 h ALA 35 CO -0.00 0.00 -1.58 0.25 0.00 0.00 0.00 179.25 177.92 3ia4 n THR 36 N -2.55 0.38 -1.63 0.00 -2.24 -0.78 -4.96 114.28 102.49 3ia4 n THR 36 Ca 0.04 -0.33 -0.47 0.00 -2.27 0.00 0.00 64.05 61.01 3ia4 n THR 36 Cb 0.48 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 3ia4 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ia4 n LEU 37 N -2.14 2.41 -0.00 3.22 7.94 -0.29 -1.39 117.00 126.74 3ia4 n LEU 37 Ca -0.10 1.13 -0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3ia4 n LEU 37 Cb 0.58 -1.33 -0.00 0.00 0.53 0.00 0.00 43.42 43.20 3ia4 n LEU 37 CO 0.21 -0.80 -0.00 0.61 -1.11 0.00 0.00 177.39 176.30 3ia4 n GLY 38 N 2.31 0.48 3.27 -3.96 0.00 -0.80 -5.04 105.19 101.46 3ia4 n GLY 38 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3ia4 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia4 s LYS 39 N -0.13 1.09 0.51 1.61 1.02 -0.49 -5.03 119.74 118.33 3ia4 s LYS 39 Ca 0.00 -1.11 -0.22 0.00 0.02 0.00 0.00 55.97 54.66 3ia4 s LYS 39 Cb 0.00 -1.31 -0.06 0.00 -0.52 0.00 0.00 37.83 35.94 3ia4 s LYS 39 CO 0.00 0.31 1.26 -1.25 -0.92 0.00 0.00 175.35 174.74 3ia4 s PRO 40 N -1.83 3.42 -0.06 -1.68 0.04 -1.26 -3.98 135.00 129.65 3ia4 s PRO 40 Ca 0.05 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.12 3ia4 s PRO 40 Cb -0.10 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 3ia4 s PRO 40 CO 0.04 -0.89 -0.21 0.96 0.04 0.00 0.00 177.00 176.94 3ia4 s ILE 41 N -1.44 1.74 -0.11 0.56 -4.36 -0.35 -1.67 121.20 115.57 3ia4 s ILE 41 Ca 0.68 -0.87 0.01 0.00 -0.26 0.00 0.00 60.65 60.21 3ia4 s ILE 41 Cb -0.34 -1.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 3ia4 s ILE 41 CO 0.40 0.49 -0.15 -0.69 0.24 0.00 0.00 174.94 175.23 3ia4 s VAL 42 N 0.12 2.89 0.04 8.37 1.01 -0.16 -0.89 120.40 131.78 3ia4 s VAL 42 Ca -0.08 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3ia4 s VAL 42 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3ia4 s VAL 42 CO 0.04 0.54 0.19 0.00 0.00 0.00 0.00 175.10 175.87 3ia4 s MET 43 N 0.21 0.70 0.77 2.72 0.00 -0.32 -0.88 119.30 122.50 3ia4 s MET 43 Ca -0.09 -0.67 -0.12 0.00 0.00 0.00 0.00 55.69 54.81 3ia4 s MET 43 Cb -0.16 0.29 0.05 0.00 0.00 0.00 0.00 34.83 35.02 3ia4 s MET 43 CO 0.05 -0.20 1.11 0.20 0.00 0.00 0.00 175.02 176.18 3ia4 s GLY 44 N -2.17 1.62 0.29 3.16 0.00 -0.09 -0.49 107.32 109.64 3ia4 s GLY 44 Ca -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 3ia4 s GLY 44 CO -0.05 0.08 1.94 -0.09 0.00 0.00 0.00 173.10 174.98 3ia4 h ARG 45 N -0.93 1.11 -0.51 2.90 2.43 -1.79 -1.71 114.38 115.89 3ia4 h ARG 45 Ca -0.46 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.54 3ia4 h ARG 45 Cb 1.27 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 3ia4 h ARG 45 CO 0.62 0.74 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.84 3ia4 h ASN 46 N 1.15 0.90 -0.52 -3.80 2.35 -1.93 -2.11 115.58 111.61 3ia4 h ASN 46 Ca 0.35 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3ia4 h ASN 46 Cb -0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3ia4 h ASN 46 CO -0.10 1.00 0.21 0.74 -1.65 0.00 0.00 177.43 177.63 3ia4 h THR 47 N 0.83 1.21 -0.65 2.81 2.02 -1.77 -0.24 112.91 117.13 3ia4 h THR 47 Ca 0.14 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3ia4 h THR 47 Cb 0.58 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3ia4 h THR 47 CO 0.04 0.25 0.40 0.15 0.37 0.00 0.00 175.52 176.73 3ia4 h PHE 48 N 0.71 0.76 -0.21 3.16 3.57 -1.11 -0.61 116.94 123.20 3ia4 h PHE 48 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3ia4 h PHE 48 Cb 0.19 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3ia4 h PHE 48 CO 0.00 0.44 -0.10 0.93 -2.23 0.00 0.00 178.31 177.35 3ia4 h GLU 49 N 0.80 0.33 -0.38 1.11 5.08 -1.05 -0.57 114.58 119.90 3ia4 h GLU 49 Ca 0.26 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3ia4 h GLU 49 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ia4 h GLU 49 CO -0.10 0.44 0.03 1.03 -1.00 0.00 0.00 179.01 179.41 3ia4 h SER 50 N 0.31 0.62 -0.46 1.42 0.87 -0.23 -3.07 113.55 113.01 3ia4 h SER 50 Ca 0.06 -0.28 -0.09 0.00 -1.23 0.00 0.00 61.79 60.25 3ia4 h SER 50 Cb 0.37 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3ia4 h SER 50 CO 0.02 0.75 -0.06 0.40 -0.53 0.00 0.00 176.83 177.41 3ia4 h ILE 51 N 0.47 1.27 0.00 2.23 2.04 -0.66 -3.47 117.51 119.39 3ia4 h ILE 51 Ca 0.11 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3ia4 h ILE 51 Cb 0.41 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3ia4 h ILE 51 CO 0.01 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.17 3ia4 n GLY 52 N -0.28 0.87 3.51 5.37 0.00 -0.27 -5.01 105.19 109.38 3ia4 n GLY 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ia4 n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ia4 s ARG 53 N -0.55 1.02 0.51 1.61 1.70 -1.26 -5.06 118.95 116.92 3ia4 s ARG 53 Ca 0.00 -0.40 -0.22 0.00 -0.47 0.00 0.00 55.73 54.64 3ia4 s ARG 53 Cb 0.00 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.77 3ia4 s ARG 53 CO 0.00 -0.45 1.31 -2.14 -1.08 0.00 0.00 175.30 172.94 3ia4 s PRO 54 N -3.35 3.38 -0.13 3.89 0.02 -1.26 -5.00 135.00 132.56 3ia4 s PRO 54 Ca 0.04 2.12 -0.18 0.00 0.02 0.00 0.00 61.00 63.01 3ia4 s PRO 54 Cb -0.01 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 3ia4 s PRO 54 CO -0.09 -0.96 0.48 -0.51 -0.33 0.00 0.00 177.00 175.59 3ia4 s LEU 55 N -3.28 4.26 0.66 -5.54 1.43 -1.26 -5.04 118.68 109.91 3ia4 s LEU 55 Ca 0.68 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 3ia4 s LEU 55 Cb -0.37 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 3ia4 s LEU 55 CO 0.45 -0.02 1.05 -2.84 0.23 0.00 0.00 176.35 175.22 3ia4 s PRO 56 N 0.75 3.23 -0.28 1.29 0.02 -1.26 -3.47 135.00 135.28 3ia4 s PRO 56 Ca 0.25 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.06 3ia4 s PRO 56 Cb -0.15 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3ia4 s PRO 56 CO 0.10 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3ia4 n GLY 57 N -2.48 0.57 3.00 0.52 0.00 -1.26 -4.96 105.19 100.58 3ia4 n GLY 57 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3ia4 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ia4 s ARG 58 N -1.43 0.25 -0.20 1.61 0.52 -1.23 -1.90 118.95 116.58 3ia4 s ARG 58 Ca 0.00 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 3ia4 s ARG 58 Cb 0.00 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3ia4 s ARG 58 CO 0.00 -0.05 1.21 -1.17 0.02 0.00 0.00 175.30 175.31 3ia4 s LEU 59 N -0.78 4.13 -0.30 2.53 2.96 -1.26 -4.83 118.68 121.13 3ia4 s LEU 59 Ca -0.09 1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 55.27 3ia4 s LEU 59 Cb -0.05 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 3ia4 s LEU 59 CO 0.00 -0.77 0.19 0.20 -1.32 0.00 0.00 176.35 174.65 3ia4 s ASN 60 N 1.86 5.89 -0.23 3.68 0.02 -1.26 -1.21 114.94 123.70 3ia4 s ASN 60 Ca 0.52 -0.26 -0.03 0.00 -1.02 0.00 0.00 52.86 52.07 3ia4 s ASN 60 Cb -0.19 -2.09 -0.00 0.00 0.02 0.00 0.00 41.25 38.98 3ia4 s ASN 60 CO 0.13 -0.14 -0.05 -0.63 0.02 0.00 0.00 177.10 176.43 3ia4 s ILE 61 N 1.71 3.24 -0.14 0.60 1.01 -0.07 -0.88 121.20 126.68 3ia4 s ILE 61 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3ia4 s ILE 61 Cb -0.17 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3ia4 s ILE 61 CO 0.09 0.38 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 3ia4 s VAL 62 N 1.45 3.37 -0.21 2.92 1.01 0.02 -1.17 120.40 127.80 3ia4 s VAL 62 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3ia4 s VAL 62 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3ia4 s VAL 62 CO -0.04 0.52 0.55 -0.76 0.00 0.00 0.00 175.10 175.37 3ia4 s LEU 63 N 0.29 4.14 -0.18 3.92 1.43 0.36 -0.94 118.68 127.69 3ia4 s LEU 63 Ca -0.07 0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3ia4 s LEU 63 Cb -0.15 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.37 3ia4 s LEU 63 CO 0.05 -0.22 0.57 -0.55 0.23 0.00 0.00 176.35 176.43 3ia4 s SER 64 N 1.20 -0.58 0.00 2.29 0.15 -0.44 -2.13 113.70 114.19 3ia4 s SER 64 Ca 0.25 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.20 3ia4 s SER 64 Cb -0.16 1.04 0.74 0.00 -1.71 0.00 0.00 66.02 65.93 3ia4 s SER 64 CO 0.10 -0.27 1.57 0.54 1.20 0.00 0.00 173.24 176.37 3ia4 n ARG 65 N 2.42 1.91 0.00 5.44 1.74 -1.26 -3.82 116.66 123.08 3ia4 n ARG 65 Ca -0.15 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 3ia4 n ARG 65 Cb 0.56 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3ia4 n ARG 65 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ia4 n GLN 66 N 0.60 -0.28 -0.85 5.56 6.02 -1.26 -5.06 117.38 122.11 3ia4 n GLN 66 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3ia4 n GLN 66 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 3ia4 n GLN 66 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3ia4 n ASP 68 N -2.02 0.00 -4.09 1.08 5.75 -1.26 -4.88 116.55 111.12 3ia4 n ASP 68 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 3ia4 n ASP 68 Cb 0.00 -0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 39.49 3ia4 n ASP 68 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ia4 s TYR 69 N -0.85 3.52 -0.42 2.11 5.04 -1.26 -4.95 117.35 120.54 3ia4 s TYR 69 Ca 0.00 -2.46 0.06 0.00 -2.44 0.00 0.00 57.07 52.22 3ia4 s TYR 69 Cb 0.00 -2.68 0.20 0.00 0.35 0.00 0.00 41.96 39.84 3ia4 s TYR 69 CO 0.00 -0.91 0.48 0.94 -1.34 0.00 0.00 175.55 174.72 3ia4 n GLN 70 N 4.47 0.43 -1.70 4.97 0.00 -1.26 -4.89 117.38 119.40 3ia4 n GLN 70 Ca -0.05 -2.97 -0.39 0.00 -0.00 0.00 0.00 57.00 53.60 3ia4 n GLN 70 Cb 0.42 -1.48 0.04 0.00 0.00 0.00 0.00 30.24 29.21 3ia4 n GLN 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3ia4 n PRO 71 N 2.30 1.56 -1.98 3.69 -0.02 -1.26 -4.90 135.00 134.38 3ia4 n PRO 71 Ca 0.24 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 3ia4 n PRO 71 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3ia4 n PRO 71 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3ia4 s GLU 72 N -2.69 4.15 0.00 -0.52 1.03 -1.26 -3.71 118.70 115.70 3ia4 s GLU 72 Ca 0.70 2.33 0.00 0.00 0.03 0.00 0.00 54.97 58.03 3ia4 s GLU 72 Cb -0.44 -2.94 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 3ia4 s GLU 72 CO 0.51 -0.41 0.00 0.41 -1.33 0.00 0.00 175.26 174.44 3ia4 n GLY 73 N 0.65 0.69 3.20 -3.83 0.00 -1.26 -4.73 105.19 99.91 3ia4 n GLY 73 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3ia4 n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ia4 s VAL 74 N -2.46 0.74 -0.30 1.61 -7.23 -1.24 -4.74 120.40 106.78 3ia4 s VAL 74 Ca 0.00 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 3ia4 s VAL 74 Cb 0.00 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 3ia4 s VAL 74 CO 0.00 -0.73 0.16 -0.89 -0.31 0.00 0.00 175.10 173.33 3ia4 s THR 75 N -3.60 4.79 -0.15 5.32 2.01 -0.06 -4.86 115.64 119.10 3ia4 s THR 75 Ca 0.16 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 3ia4 s THR 75 Cb 0.05 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 3ia4 s THR 75 CO -0.01 0.13 0.25 -0.69 -0.69 0.00 0.00 174.62 173.60 3ia4 s VAL 76 N 1.66 5.33 0.10 3.82 1.01 -1.26 -0.80 120.40 130.26 3ia4 s VAL 76 Ca 0.06 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.55 3ia4 s VAL 76 Cb -0.17 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3ia4 s VAL 76 CO 0.07 0.46 -0.17 0.68 0.00 0.00 0.00 175.10 176.14 3ia4 s VAL 77 N 0.05 1.42 -2.21 2.92 -7.23 -0.12 -4.94 120.40 110.29 3ia4 s VAL 77 Ca 0.15 -1.51 0.21 0.00 -1.81 0.00 0.00 61.98 59.02 3ia4 s VAL 77 Cb -0.13 -1.39 0.07 0.00 0.56 0.00 0.00 36.38 35.49 3ia4 s VAL 77 CO 0.04 -0.21 1.08 0.00 -0.31 0.00 0.00 175.10 175.70 3ia4 n ALA 78 N 0.99 3.03 -2.44 1.32 0.00 -1.25 -1.33 120.51 120.84 3ia4 n ALA 78 Ca -0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 3ia4 n ALA 78 Cb 0.55 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 3ia4 n ALA 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ia4 s THR 79 N -2.08 0.14 0.29 0.00 -4.23 -1.26 -4.68 115.64 103.82 3ia4 s THR 79 Ca 0.20 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3ia4 s THR 79 Cb 0.17 -1.56 0.24 0.00 1.34 0.00 0.00 72.50 72.69 3ia4 s THR 79 CO 0.41 -0.63 1.94 -0.07 -0.54 0.00 0.00 174.62 175.73 3ia4 h LEU 80 N 2.80 0.92 -0.86 4.79 3.38 -2.00 -1.53 115.31 122.81 3ia4 h LEU 80 Ca -0.34 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3ia4 h LEU 80 Cb 1.19 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 3ia4 h LEU 80 CO 0.57 0.71 0.42 -0.33 0.09 0.00 0.00 178.44 179.90 3ia4 h GLU 81 N 1.06 1.24 -0.04 1.13 5.08 -2.00 -1.97 114.58 119.08 3ia4 h GLU 81 Ca 0.28 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3ia4 h GLU 81 Cb -0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3ia4 h GLU 81 CO -0.05 0.94 -0.61 -0.44 -1.00 0.00 0.00 179.01 177.85 3ia4 h ASP 82 N 1.23 0.15 -0.30 1.42 3.45 -1.83 -2.46 116.42 118.09 3ia4 h ASP 82 Ca 0.30 -0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.71 3ia4 h ASP 82 Cb 0.11 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 3ia4 h ASP 82 CO -0.04 0.72 0.09 0.00 -1.57 0.00 0.00 179.24 178.44 3ia4 h ALA 83 N 1.28 0.33 -0.57 3.45 0.00 -0.82 -0.40 119.26 122.53 3ia4 h ALA 83 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ia4 h ALA 83 Cb 1.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3ia4 h ALA 83 CO 0.09 -0.32 0.30 0.28 0.00 0.00 0.00 179.25 179.60 3ia4 h VAL 84 N 0.21 0.97 -0.65 0.00 2.07 -1.14 -1.21 116.25 116.49 3ia4 h VAL 84 Ca 0.14 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3ia4 h VAL 84 Cb 0.12 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3ia4 h VAL 84 CO -0.16 0.11 0.37 0.58 0.02 0.00 0.00 177.57 178.49 3ia4 h VAL 85 N 0.58 1.20 -0.05 2.57 2.07 -1.32 -2.68 116.25 118.62 3ia4 h VAL 85 Ca 0.25 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3ia4 h VAL 85 Cb 0.15 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3ia4 h VAL 85 CO -0.16 0.22 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 3ia4 h ALA 86 N 1.18 1.51 0.00 1.67 0.00 -0.50 -2.12 119.26 121.00 3ia4 h ALA 86 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ia4 h ALA 86 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ia4 h ALA 86 CO -0.04 0.36 -0.27 0.00 0.00 0.00 0.00 179.25 179.30 3ia4 h ALA 87 N 1.68 1.19 -0.74 0.00 0.00 -0.90 -3.49 119.26 117.00 3ia4 h ALA 87 Ca 0.01 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3ia4 h ALA 87 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ia4 h ALA 87 CO 0.03 0.34 -0.10 0.41 0.00 0.00 0.00 179.25 179.92 3ia4 n GLY 88 N -0.26 -2.12 2.59 0.00 0.00 -0.80 -4.35 105.19 100.26 3ia4 n GLY 88 Ca -0.01 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3ia4 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ia4 n ASP 89 N -1.47 6.52 -4.99 1.61 2.03 -1.26 -4.92 116.55 114.07 3ia4 n ASP 89 Ca 0.00 -2.91 -0.19 0.00 0.52 0.00 0.00 54.79 52.22 3ia4 n ASP 89 Cb 0.13 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 39.03 3ia4 n ASP 89 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ia4 s VAL 90 N 1.17 2.66 0.19 5.18 -7.23 -1.26 -5.03 120.40 116.09 3ia4 s VAL 90 Ca 0.53 -1.08 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 3ia4 s VAL 90 Cb 0.15 -2.75 0.11 0.00 0.56 0.00 0.00 36.38 34.45 3ia4 s VAL 90 CO -0.06 0.00 1.71 1.05 -0.31 0.00 0.00 175.10 177.49 3ia4 h GLU 91 N 0.60 1.12 -2.44 4.82 9.09 -1.95 -3.37 114.58 122.44 3ia4 h GLU 91 Ca -0.38 -0.27 -0.08 0.00 0.05 0.00 0.00 59.36 58.68 3ia4 h GLU 91 Cb 1.28 -0.14 -0.24 0.00 -1.65 0.00 0.00 28.75 28.00 3ia4 h GLU 91 CO 0.47 0.99 -0.15 -2.00 0.05 0.00 0.00 179.01 178.37 3ia4 s GLU 92 N -5.30 0.55 0.08 1.06 2.12 -1.26 -1.08 118.70 114.87 3ia4 s GLU 92 Ca -0.12 0.85 0.07 0.00 0.36 0.00 0.00 54.97 56.13 3ia4 s GLU 92 Cb 0.14 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 3ia4 s GLU 92 CO 0.85 -0.12 -0.11 -0.48 -0.54 0.00 0.00 175.26 174.85 3ia4 s LEU 93 N 0.98 2.98 -0.25 2.70 0.05 -0.37 -4.37 118.68 120.40 3ia4 s LEU 93 Ca -0.06 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 53.72 3ia4 s LEU 93 Cb -0.06 -1.77 0.01 0.00 -2.05 0.00 0.00 46.19 42.32 3ia4 s LEU 93 CO -0.09 0.21 -0.02 -0.04 -0.55 0.00 0.00 176.35 175.86 3ia4 s MET 94 N -1.97 3.12 -0.22 1.48 -1.94 -0.67 -1.28 119.30 117.83 3ia4 s MET 94 Ca 0.20 -0.80 -0.23 0.00 -1.71 0.00 0.00 55.69 53.15 3ia4 s MET 94 Cb -0.11 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3ia4 s MET 94 CO 0.11 -0.32 0.73 0.42 -0.01 0.00 0.00 175.02 175.95 3ia4 s ILE 95 N 1.43 4.93 -0.64 2.53 1.01 0.73 -0.99 121.20 130.20 3ia4 s ILE 95 Ca 0.03 1.38 0.15 0.00 0.00 0.00 0.00 60.65 62.20 3ia4 s ILE 95 Cb -0.16 -4.03 0.49 0.00 0.01 0.00 0.00 42.46 38.77 3ia4 s ILE 95 CO -0.03 0.01 1.40 2.30 0.00 0.00 0.00 174.94 178.63 3ia4 n ILE 96 N 5.01 1.73 0.00 2.92 -5.35 -0.06 -1.15 119.36 122.47 3ia4 n ILE 96 Ca 0.02 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 3ia4 n ILE 96 Cb 0.49 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3ia4 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ia4 n GLY 97 N 0.20 1.70 0.00 3.28 0.00 -1.26 -4.94 105.19 104.17 3ia4 n GLY 97 Ca 0.19 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3ia4 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ia4 n GLY 98 N -0.56 2.45 0.27 -0.02 0.00 -1.26 -0.91 105.19 105.16 3ia4 n GLY 98 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 3ia4 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia4 h ALA 99 N -0.66 0.92 -0.69 4.61 0.00 -1.97 -1.09 119.26 120.38 3ia4 h ALA 99 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ia4 h ALA 99 Cb 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3ia4 h ALA 99 CO 0.00 0.12 0.34 1.79 0.00 0.00 0.00 179.25 181.50 3ia4 h THR 100 N 0.77 0.86 -0.15 0.00 1.35 -1.94 0.37 112.91 114.16 3ia4 h THR 100 Ca 0.30 -0.20 -0.22 0.00 -0.55 0.00 0.00 66.41 65.73 3ia4 h THR 100 Cb 0.13 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 66.77 3ia4 h THR 100 CO -0.15 0.11 -0.78 0.40 -0.25 0.00 0.00 175.52 174.85 3ia4 h ILE 101 N 0.59 1.28 -0.89 6.82 1.08 -1.69 -2.34 117.51 122.36 3ia4 h ILE 101 Ca 0.34 -1.98 0.02 0.00 -0.39 0.00 0.00 64.86 62.84 3ia4 h ILE 101 Cb 0.34 1.98 -0.05 0.00 -3.07 0.00 0.00 36.82 36.02 3ia4 h ILE 101 CO -0.26 0.63 0.59 1.88 -0.69 0.00 0.00 178.15 180.30 3ia4 h TYR 102 N 0.53 1.11 -0.43 1.37 0.05 -1.00 -1.69 116.97 116.91 3ia4 h TYR 102 Ca -0.05 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.79 3ia4 h TYR 102 Cb 1.40 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3ia4 h TYR 102 CO 0.08 0.67 0.23 -0.91 -1.05 0.00 0.00 178.16 177.18 3ia4 h ASN 103 N 1.17 0.35 0.73 3.88 2.35 -0.82 -0.61 115.58 122.62 3ia4 h ASN 103 Ca 0.34 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.02 3ia4 h ASN 103 Cb -0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3ia4 h ASN 103 CO -0.09 0.25 -0.43 1.56 -1.65 0.00 0.00 177.43 177.07 3ia4 h GLN 104 N 0.46 0.00 0.00 0.81 4.20 -1.01 -3.31 115.11 116.26 3ia4 h GLN 104 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3ia4 h GLN 104 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3ia4 h GLN 104 CO -0.11 0.43 -0.76 0.00 -0.67 0.00 0.00 178.83 177.71 3ia4 h LEU 106 N 0.00 -0.44 -2.71 0.00 5.85 -1.20 -0.48 115.31 116.33 3ia4 h LEU 106 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ia4 h LEU 106 Cb 0.36 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ia4 h LEU 106 CO 0.00 -0.16 0.03 0.00 -0.34 0.00 0.00 178.44 177.97 3ia4 h ALA 107 N 1.54 1.26 -0.01 1.25 0.00 -1.83 -1.94 119.26 119.53 3ia4 h ALA 107 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ia4 h ALA 107 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ia4 h ALA 107 CO -0.54 -0.03 -0.52 0.00 0.00 0.00 0.00 179.25 178.15 3ia4 n ALA 108 N -2.18 3.67 -1.97 0.00 0.00 -0.23 -5.00 120.51 114.80 3ia4 n ALA 108 Ca -0.03 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.39 3ia4 n ALA 108 Cb 0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3ia4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ia4 s ALA 109 N -2.55 3.36 -0.02 0.00 0.00 -0.73 -4.75 121.76 117.06 3ia4 s ALA 109 Ca 0.18 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.01 3ia4 s ALA 109 Cb 0.18 -3.31 -0.23 0.00 0.00 0.00 0.00 23.12 19.76 3ia4 s ALA 109 CO 0.60 -0.10 0.74 -0.44 0.00 0.00 0.00 175.76 176.57 3ia4 h ASP 110 N 4.72 0.02 -4.25 0.00 3.45 -0.86 -3.43 116.42 116.07 3ia4 h ASP 110 Ca -0.45 -0.04 -0.19 0.00 0.43 0.00 0.00 57.03 56.78 3ia4 h ASP 110 Cb 1.21 -0.01 -0.25 0.00 -0.56 0.00 0.00 39.33 39.72 3ia4 h ASP 110 CO 0.70 1.04 -0.64 -0.13 -1.57 0.00 0.00 179.24 178.64 3ia4 s ARG 111 N -2.61 0.19 -0.12 3.56 0.52 -1.10 -1.00 118.95 118.40 3ia4 s ARG 111 Ca -0.05 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3ia4 s ARG 111 Cb 0.08 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.64 3ia4 s ARG 111 CO 0.82 -0.04 -0.21 -0.51 0.02 0.00 0.00 175.30 175.39 3ia4 s LEU 112 N -0.56 2.01 -0.61 2.53 1.43 -0.12 -1.48 118.68 121.87 3ia4 s LEU 112 Ca -0.06 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 3ia4 s LEU 112 Cb -0.04 -1.33 0.15 0.00 0.03 0.00 0.00 46.19 44.99 3ia4 s LEU 112 CO 0.00 0.10 0.59 -0.31 0.23 0.00 0.00 176.35 176.96 3ia4 s TYR 113 N 0.66 3.33 -0.15 0.29 4.12 0.11 -0.53 117.35 125.19 3ia4 s TYR 113 Ca -0.12 -1.41 -0.03 0.00 0.02 0.00 0.00 57.07 55.54 3ia4 s TYR 113 Cb -0.16 -3.84 -0.02 0.00 -1.52 0.00 0.00 41.96 36.42 3ia4 s TYR 113 CO 0.02 -1.05 -0.06 -0.51 0.02 0.00 0.00 175.55 173.97 3ia4 s LEU 114 N 1.43 3.10 -0.20 -1.29 1.43 -0.04 -1.65 118.68 121.46 3ia4 s LEU 114 Ca 0.08 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3ia4 s LEU 114 Cb -0.25 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3ia4 s LEU 114 CO 0.01 0.16 0.07 -0.89 0.23 0.00 0.00 176.35 175.93 3ia4 s THR 115 N 0.41 4.76 -0.23 5.49 2.01 -0.52 -0.14 115.64 127.41 3ia4 s THR 115 Ca -0.05 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 3ia4 s THR 115 Cb -0.15 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3ia4 s THR 115 CO 0.03 0.42 0.05 -1.00 -0.69 0.00 0.00 174.62 173.44 3ia4 s HIS 116 N 0.68 3.07 -0.15 4.92 3.76 0.12 -0.13 115.29 127.57 3ia4 s HIS 116 Ca 0.04 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 3ia4 s HIS 116 Cb -0.13 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 3ia4 s HIS 116 CO 0.02 -0.33 0.11 0.42 -0.85 0.00 0.00 174.74 174.11 3ia4 s ILE 117 N 1.43 5.23 -1.02 0.60 1.01 0.30 -1.16 121.20 127.60 3ia4 s ILE 117 Ca 0.05 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 3ia4 s ILE 117 Cb -0.15 -3.32 0.11 0.00 0.01 0.00 0.00 42.46 39.11 3ia4 s ILE 117 CO 0.03 0.54 1.31 -1.61 0.00 0.00 0.00 174.94 175.20 3ia4 s GLU 118 N -0.34 3.68 -0.28 2.79 2.02 0.00 -3.75 118.70 122.81 3ia4 s GLU 118 Ca 0.11 -1.67 -0.15 0.00 0.02 0.00 0.00 54.97 53.27 3ia4 s GLU 118 Cb -0.12 -5.12 0.10 0.00 0.10 0.00 0.00 34.13 29.10 3ia4 s GLU 118 CO 0.01 -1.94 0.77 -1.17 0.02 0.00 0.00 175.26 172.94 3ia4 s LEU 119 N 3.40 -0.85 -0.27 1.80 2.96 -1.26 -4.59 118.68 119.87 3ia4 s LEU 119 Ca 0.40 1.33 -0.09 0.00 -0.22 0.00 0.00 54.13 55.54 3ia4 s LEU 119 Cb -0.02 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.83 3ia4 s LEU 119 CO -0.07 -0.21 0.14 -0.89 -1.32 0.00 0.00 176.35 174.00 3ia4 s THR 120 N 1.69 4.85 -0.01 3.68 2.01 -1.26 -0.87 115.64 125.74 3ia4 s THR 120 Ca -0.09 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 3ia4 s THR 120 Cb -0.05 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3ia4 s THR 120 CO -0.19 0.27 0.12 0.28 -0.69 0.00 0.00 174.62 174.41 3ia4 s THR 121 N 1.69 0.07 0.44 -0.82 -1.32 -1.26 -5.04 115.64 109.40 3ia4 s THR 121 Ca 0.07 -0.56 -0.24 0.00 -1.21 0.00 0.00 61.69 59.74 3ia4 s THR 121 Cb -0.16 -0.36 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 3ia4 s THR 121 CO 0.08 -0.31 1.18 -0.70 -2.21 0.00 0.00 174.62 172.66 3ia4 s GLU 122 N -1.07 3.86 0.33 7.08 2.12 -1.26 -4.93 118.70 124.82 3ia4 s GLU 122 Ca -0.12 1.83 0.03 0.00 0.36 0.00 0.00 54.97 57.08 3ia4 s GLU 122 Cb -0.06 -2.52 -0.06 0.00 0.26 0.00 0.00 34.13 31.75 3ia4 s GLU 122 CO 0.01 -0.48 0.07 0.20 -0.54 0.00 0.00 175.26 174.52 3ia4 s GLY 123 N -1.23 2.13 -0.01 -1.50 0.00 -1.26 -4.80 107.32 100.64 3ia4 s GLY 123 Ca 0.61 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 43.43 3ia4 s GLY 123 CO 0.37 -1.80 0.79 2.09 0.00 0.00 0.00 173.10 174.55 3ia4 n ASP 124 N -0.76 1.00 -3.78 1.64 3.85 -0.01 -4.97 116.55 113.53 3ia4 n ASP 124 Ca -0.03 -1.63 -0.13 0.00 -0.71 0.00 0.00 54.79 52.30 3ia4 n ASP 124 Cb 0.66 -0.04 -0.12 0.00 -1.35 0.00 0.00 41.12 40.27 3ia4 n ASP 124 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3ia4 s THR 125 N -0.61 -0.01 0.07 2.12 2.01 -1.08 -4.95 115.64 113.18 3ia4 s THR 125 Ca 0.02 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.12 3ia4 s THR 125 Cb 0.02 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3ia4 s THR 125 CO 0.00 0.02 -0.14 0.26 -0.69 0.00 0.00 174.62 174.07 3ia4 s TRP 126 N 0.46 1.19 0.50 4.92 0.51 -1.26 -1.43 118.94 123.83 3ia4 s TRP 126 Ca -0.03 -0.45 -0.21 0.00 -2.12 0.00 0.00 56.10 53.30 3ia4 s TRP 126 Cb -0.04 -0.67 -0.07 0.00 -0.81 0.00 0.00 33.47 31.87 3ia4 s TRP 126 CO -0.02 0.05 1.10 0.12 -0.51 0.00 0.00 176.95 177.69 3ia4 s PHE 127 N -1.23 2.84 1.02 -1.98 2.19 -0.10 -4.71 117.98 116.01 3ia4 s PHE 127 Ca -0.02 1.56 -0.11 0.00 0.33 0.00 0.00 56.93 58.69 3ia4 s PHE 127 Cb -0.10 -3.23 0.20 0.00 -1.31 0.00 0.00 43.02 38.59 3ia4 s PHE 127 CO 0.02 -1.28 1.09 -1.25 1.83 0.00 0.00 175.22 175.63 3ia4 s PRO 128 N -3.11 0.21 -1.31 10.12 0.04 -1.26 -4.86 135.00 134.84 3ia4 s PRO 128 Ca 0.69 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 3ia4 s PRO 128 Cb -0.22 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.70 3ia4 s PRO 128 CO 0.26 -3.06 1.88 -3.47 0.04 0.00 0.00 177.00 172.65 3ia4 n ASP 129 N -4.50 4.42 0.30 6.66 2.03 -1.26 -4.76 116.55 119.44 3ia4 n ASP 129 Ca 0.08 -2.87 0.20 0.00 0.52 0.00 0.00 54.79 52.71 3ia4 n ASP 129 Cb 0.53 -1.70 0.96 0.00 -0.72 0.00 0.00 41.12 40.19 3ia4 n ASP 129 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3ia4 h TYR 130 N 7.41 0.00 0.00 -0.67 -0.00 -1.96 -2.26 116.97 119.49 3ia4 h TYR 130 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.19 3ia4 h TYR 130 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.54 3ia4 h TYR 130 CO 1.41 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 179.96 3ia4 n GLU 131 N -3.01 0.69 0.30 0.10 1.02 -1.26 -1.56 120.64 116.91 3ia4 n GLU 131 Ca -0.01 0.01 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 3ia4 n GLU 131 Cb 0.17 -1.50 0.85 0.00 -0.02 0.00 0.00 31.44 30.94 3ia4 n GLU 131 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 3ia4 h GLN 132 N 0.00 0.00 -6.17 3.49 3.07 -1.82 -3.44 115.11 110.24 3ia4 h GLN 132 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.24 3ia4 h GLN 132 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.56 3ia4 h GLN 132 CO 0.00 0.01 -0.41 0.71 0.09 0.00 0.00 178.83 179.23 3ia4 s TYR 133 N -3.83 2.77 -0.00 0.06 4.12 -0.60 -5.13 117.35 114.73 3ia4 s TYR 133 Ca -0.01 -0.43 -0.12 0.00 0.02 0.00 0.00 57.07 56.53 3ia4 s TYR 133 Cb 0.10 -2.03 -0.05 0.00 -1.52 0.00 0.00 41.96 38.46 3ia4 s TYR 133 CO 0.50 0.00 0.35 -0.80 0.02 0.00 0.00 175.55 175.63 3ia4 s ASN 134 N -4.07 6.69 -0.01 2.29 0.01 -1.26 -5.03 114.94 113.56 3ia4 s ASN 134 Ca 0.45 0.82 -0.06 0.00 -0.71 0.00 0.00 52.86 53.37 3ia4 s ASN 134 Cb -0.04 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.43 3ia4 s ASN 134 CO 0.27 0.30 0.11 0.26 -1.51 0.00 0.00 177.10 176.53 3ia4 s TRP 135 N -1.16 0.03 -0.13 2.20 0.52 -1.26 -1.08 118.94 118.07 3ia4 s TRP 135 Ca 0.25 -0.08 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 3ia4 s TRP 135 Cb -0.15 -0.05 -0.02 0.00 -1.15 0.00 0.00 33.47 32.10 3ia4 s TRP 135 CO 0.13 -0.22 -0.10 1.14 0.02 0.00 0.00 176.95 177.92 3ia4 s GLN 136 N -1.07 3.37 -0.04 4.98 -2.07 0.25 -4.87 119.66 120.20 3ia4 s GLN 136 Ca -0.12 -0.63 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 3ia4 s GLN 136 Cb -0.06 -2.70 -0.03 0.00 -1.09 0.00 0.00 33.01 29.13 3ia4 s GLN 136 CO 0.01 0.29 1.04 -2.00 -1.32 0.00 0.00 175.29 173.30 3ia4 s GLU 137 N 0.19 4.47 -0.11 9.60 2.12 -1.26 -0.65 118.70 133.05 3ia4 s GLU 137 Ca -0.06 1.47 0.14 0.00 0.36 0.00 0.00 54.97 56.88 3ia4 s GLU 137 Cb -0.15 -3.49 -0.19 0.00 0.26 0.00 0.00 34.13 30.56 3ia4 s GLU 137 CO 0.04 -0.22 0.12 -0.89 -0.54 0.00 0.00 175.26 173.77 3ia4 n ILE 138 N 4.25 0.76 -3.59 -3.70 2.08 0.61 -4.98 119.36 114.79 3ia4 n ILE 138 Ca 0.08 -0.56 -0.10 0.00 0.56 0.00 0.00 62.75 62.73 3ia4 n ILE 138 Cb 0.49 -0.44 -0.02 0.00 -0.75 0.00 0.00 39.64 38.92 3ia4 n ILE 138 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3ia4 s GLU 139 N -2.52 1.41 -0.04 0.38 4.04 -1.21 -4.99 118.70 115.77 3ia4 s GLU 139 Ca -0.07 -0.68 -0.29 0.00 0.04 0.00 0.00 54.97 53.97 3ia4 s GLU 139 Cb 0.06 0.58 0.07 0.00 0.02 0.00 0.00 34.13 34.85 3ia4 s GLU 139 CO 0.61 -0.62 0.64 -3.38 -1.84 0.00 0.00 175.26 170.67 3ia4 s HIS 140 N -3.81 -0.61 -0.05 4.83 -3.43 -1.26 -0.89 115.29 110.07 3ia4 s HIS 140 Ca 0.05 1.03 -0.19 0.00 -0.80 0.00 0.00 55.06 55.16 3ia4 s HIS 140 Cb -0.02 0.38 0.04 0.00 -1.43 0.00 0.00 32.58 31.55 3ia4 s HIS 140 CO -0.06 -0.59 0.42 -2.00 -2.00 0.00 0.00 174.74 170.50 3ia4 s GLU 141 N -1.25 0.74 0.02 -0.38 2.56 -0.54 -4.97 118.70 114.88 3ia4 s GLU 141 Ca -0.11 0.04 0.08 0.00 0.00 0.00 0.00 54.97 54.98 3ia4 s GLU 141 Cb -0.01 0.34 -0.03 0.00 2.00 0.00 0.00 34.13 36.43 3ia4 s GLU 141 CO 0.09 -0.20 -0.23 -1.12 -0.56 0.00 0.00 175.26 173.24 3ia4 s SER 142 N -1.06 3.36 -0.09 -1.70 0.01 -1.26 -0.17 113.70 112.79 3ia4 s SER 142 Ca -0.11 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3ia4 s SER 142 Cb -0.04 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.79 3ia4 s SER 142 CO 0.05 0.28 -0.10 -0.31 0.41 0.00 0.00 173.24 173.57 3ia4 s TYR 143 N -0.78 1.47 0.35 2.43 1.51 0.53 -4.99 117.35 117.87 3ia4 s TYR 143 Ca 0.12 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.38 3ia4 s TYR 143 Cb -0.10 -1.15 -0.09 0.00 -0.11 0.00 0.00 41.96 40.51 3ia4 s TYR 143 CO 0.02 -0.39 0.78 0.00 -1.11 0.00 0.00 175.55 174.84 3ia4 s ALA 144 N 1.16 3.27 0.61 3.71 0.00 -1.26 -1.47 121.76 127.78 3ia4 s ALA 144 Ca -0.05 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 3ia4 s ALA 144 Cb -0.14 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3ia4 s ALA 144 CO -0.02 0.29 1.32 0.00 0.00 0.00 0.00 175.76 177.35 3ia4 s ALA 145 N -2.03 2.53 0.00 0.00 0.00 -1.26 -4.86 121.76 116.14 3ia4 s ALA 145 Ca 0.56 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3ia4 s ALA 145 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3ia4 s ALA 145 CO 0.17 -1.55 0.00 -0.40 0.00 0.00 0.00 175.76 173.98 3ia4 n ASP 146 N -1.61 0.00 0.21 0.00 5.68 0.49 -4.98 116.55 116.34 3ia4 n ASP 146 Ca 0.14 -0.63 0.15 0.00 -0.50 0.00 0.00 54.79 53.96 3ia4 n ASP 146 Cb 0.47 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.09 3ia4 n ASP 146 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ia4 h ASP 147 N 0.00 0.00 -0.00 -1.12 3.45 -2.02 -2.84 116.42 113.89 3ia4 h ASP 147 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ia4 h ASP 147 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3ia4 h ASP 147 CO 0.00 0.00 -0.39 0.29 -1.57 0.00 0.00 179.24 177.57 3ia4 n LYS 148 N -2.67 3.17 -3.64 3.56 5.02 -1.26 -4.92 118.16 117.42 3ia4 n LYS 148 Ca 0.01 -0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 55.81 3ia4 n LYS 148 Cb 0.23 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 3ia4 n LYS 148 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ia4 s ASN 149 N -1.77 3.28 0.00 4.39 0.01 -1.07 -4.44 114.94 115.34 3ia4 s ASN 149 Ca 0.05 -1.13 0.25 0.00 -0.71 0.00 0.00 52.86 51.33 3ia4 s ASN 149 Cb 0.08 -0.51 1.32 0.00 0.41 0.00 0.00 41.25 42.56 3ia4 s ASN 149 CO 0.36 -0.39 1.87 -0.81 -1.51 0.00 0.00 177.10 176.63 3ia4 n PRO 150 N 5.12 1.22 -4.58 -0.60 -0.04 -1.26 -0.38 135.00 134.48 3ia4 n PRO 150 Ca -0.06 -0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 62.84 3ia4 n PRO 150 Cb 0.45 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3ia4 n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ia4 s HIS 151 N -1.97 1.56 0.53 0.54 3.76 -1.26 -4.89 115.29 113.56 3ia4 s HIS 151 Ca 0.37 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 3ia4 s HIS 151 Cb 0.18 -0.94 -0.06 0.00 1.11 0.00 0.00 32.58 32.87 3ia4 s HIS 151 CO 0.30 0.05 1.17 -0.80 -0.85 0.00 0.00 174.74 174.61 3ia4 s ASN 152 N -1.01 5.72 0.17 1.40 0.01 -1.26 -4.07 114.94 115.90 3ia4 s ASN 152 Ca 0.05 2.30 -0.11 0.00 -0.71 0.00 0.00 52.86 54.39 3ia4 s ASN 152 Cb -0.08 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3ia4 s ASN 152 CO 0.01 -1.22 0.34 -0.72 -1.51 0.00 0.00 177.10 174.00 3ia4 s TYR 153 N -1.63 0.25 -0.04 2.20 1.13 -0.54 -0.82 117.35 117.90 3ia4 s TYR 153 Ca 0.71 -0.61 -0.03 0.00 -1.41 0.00 0.00 57.07 55.72 3ia4 s TYR 153 Cb -0.28 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.66 3ia4 s TYR 153 CO 0.32 -0.76 0.10 0.50 -2.51 0.00 0.00 175.55 173.20 3ia4 s ARG 154 N -3.94 0.11 -0.10 -3.49 6.06 -0.30 -0.34 118.95 116.95 3ia4 s ARG 154 Ca 0.14 0.15 -0.05 0.00 -2.50 0.00 0.00 55.73 53.48 3ia4 s ARG 154 Cb 0.02 0.04 -0.04 0.00 0.06 0.00 0.00 34.95 35.03 3ia4 s ARG 154 CO -0.01 -0.03 0.10 0.12 -2.50 0.00 0.00 175.30 172.98 3ia4 s PHE 155 N 0.14 3.46 -0.05 5.12 5.36 0.75 0.12 117.98 132.89 3ia4 s PHE 155 Ca -0.01 0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 56.37 3ia4 s PHE 155 Cb -0.02 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.81 3ia4 s PHE 155 CO -0.00 0.65 -0.01 0.45 -1.46 0.00 0.00 175.22 174.85 3ia4 s SER 156 N -1.06 1.12 -0.31 6.13 0.15 0.80 -1.46 113.70 119.07 3ia4 s SER 156 Ca 0.15 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.64 3ia4 s SER 156 Cb -0.12 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.81 3ia4 s SER 156 CO 0.05 -0.14 0.16 -0.22 1.20 0.00 0.00 173.24 174.28 3ia4 s LEU 157 N 1.50 4.12 -0.06 3.45 2.96 -0.07 -0.87 118.68 129.71 3ia4 s LEU 157 Ca -0.02 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3ia4 s LEU 157 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3ia4 s LEU 157 CO -0.03 -0.19 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.05 3ia4 s LEU 158 N 1.63 3.53 -0.04 -0.68 1.43 0.32 -0.29 118.68 124.58 3ia4 s LEU 158 Ca 0.05 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3ia4 s LEU 158 Cb -0.17 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3ia4 s LEU 158 CO 0.07 0.35 -0.19 -1.61 0.23 0.00 0.00 176.35 175.20 3ia4 s GLU 159 N -1.05 2.40 0.26 1.70 2.02 0.18 -0.95 118.70 123.27 3ia4 s GLU 159 Ca 0.15 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 3ia4 s GLU 159 Cb -0.11 -2.25 -0.10 0.00 0.10 0.00 0.00 34.13 31.77 3ia4 s GLU 159 CO 0.04 0.57 1.31 0.50 0.02 0.00 0.00 175.26 177.69 3ia4 s ARG 160 N -0.60 4.38 0.00 1.61 6.06 -0.17 -0.59 118.95 129.65 3ia4 s ARG 160 Ca 0.09 2.13 0.02 0.00 -2.50 0.00 0.00 55.73 55.46 3ia4 s ARG 160 Cb -0.11 -3.14 0.02 0.00 0.06 0.00 0.00 34.95 31.78 3ia4 s ARG 160 CO 0.00 -0.20 0.56 0.28 -2.50 0.00 0.00 175.30 173.44