#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig4 h SER 3 N 0.00 0.11 -0.36 3.14 4.64 -1.81 -0.83 113.55 118.44 3ig4 h SER 3 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3ig4 h SER 3 Cb 0.00 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3ig4 h SER 3 CO 0.00 0.06 0.25 0.50 -0.87 0.00 0.00 176.83 176.78 3ig4 h LYS 4 N 0.12 0.09 -0.35 4.77 3.64 -1.90 -0.49 116.57 122.44 3ig4 h LYS 4 Ca 0.20 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3ig4 h LYS 4 Cb 0.65 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3ig4 h LYS 4 CO -0.02 0.06 0.07 0.35 -2.27 0.00 0.00 179.45 177.63 3ig4 h PHE 5 N 0.09 0.61 -0.01 1.91 3.57 -1.56 -2.00 116.94 119.55 3ig4 h PHE 5 Ca 0.17 -0.08 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 3ig4 h PHE 5 Cb 0.55 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3ig4 h PHE 5 CO -0.00 0.63 -0.78 0.74 -2.23 0.00 0.00 178.31 176.66 3ig4 h PHE 6 N 0.42 0.15 -0.47 0.41 0.04 -1.48 -2.49 116.94 113.52 3ig4 h PHE 6 Ca 0.11 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3ig4 h PHE 6 Cb 0.34 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3ig4 h PHE 6 CO 0.02 0.84 0.18 0.00 -0.60 0.00 0.00 178.31 178.75 3ig4 h ALA 7 N 1.13 0.61 -0.30 2.45 0.00 -1.00 -1.90 119.26 120.25 3ig4 h ALA 7 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3ig4 h ALA 7 Cb 1.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ig4 h ALA 7 CO 0.11 0.23 -0.20 1.96 0.00 0.00 0.00 179.25 181.35 3ig4 h GLN 8 N 0.61 0.55 -0.95 0.00 4.20 -1.31 -1.86 115.11 116.36 3ig4 h GLN 8 Ca 0.15 -0.20 0.08 0.00 0.06 0.00 0.00 58.65 58.75 3ig4 h GLN 8 Cb 0.21 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3ig4 h GLN 8 CO -0.01 0.73 0.60 -0.91 -0.67 0.00 0.00 178.83 178.56 3ig4 h ASN 9 N 0.50 0.93 -0.10 1.46 2.35 -1.05 -1.16 115.58 118.51 3ig4 h ASN 9 Ca 0.08 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.66 3ig4 h ASN 9 Cb 0.63 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3ig4 h ASN 9 CO 0.04 0.57 -0.64 0.03 -1.65 0.00 0.00 177.43 175.78 3ig4 h ARG 10 N 1.05 0.71 -0.47 0.81 3.08 -0.81 -0.99 114.38 117.77 3ig4 h ARG 10 Ca 0.43 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ig4 h ARG 10 Cb 0.25 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3ig4 h ARG 10 CO -0.20 1.12 0.28 0.93 -1.07 0.00 0.00 179.97 181.03 3ig4 h GLU 11 N 0.53 0.54 -0.55 0.04 5.08 -0.95 0.23 114.58 119.48 3ig4 h GLU 11 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ig4 h GLU 11 Cb 1.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3ig4 h GLU 11 CO 0.13 0.36 0.12 0.00 -1.00 0.00 0.00 179.01 178.61 3ig4 h ARG 12 N 0.55 0.90 -0.36 2.33 3.08 -1.14 -2.78 114.38 116.95 3ig4 h ARG 12 Ca 0.19 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3ig4 h ARG 12 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3ig4 h ARG 12 CO -0.09 0.85 0.22 1.25 -1.07 0.00 0.00 179.97 181.13 3ig4 h LEU 13 N 0.79 0.43 -0.85 3.04 5.85 -0.57 -2.11 115.31 121.90 3ig4 h LEU 13 Ca 0.17 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 59.00 3ig4 h LEU 13 Cb 0.37 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 3ig4 h LEU 13 CO 0.00 0.36 0.41 0.58 -0.34 0.00 0.00 178.44 179.46 3ig4 h VAL 14 N 0.47 0.67 0.00 1.05 2.07 -0.47 0.27 116.25 120.32 3ig4 h VAL 14 Ca 0.13 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3ig4 h VAL 14 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3ig4 h VAL 14 CO -0.02 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.26 3ig4 n ASN 15 N -4.92 0.34 0.01 0.57 3.02 -0.80 -2.15 115.26 111.33 3ig4 n ASN 15 Ca 0.18 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.44 3ig4 n ASN 15 Cb 0.47 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3ig4 n ASN 15 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ig4 n THR 16 N -1.89 0.05 -3.77 3.41 -2.24 0.07 -4.93 114.28 104.98 3ig4 n THR 16 Ca 0.02 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 3ig4 n THR 16 Cb 0.15 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3ig4 n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ig4 s LEU 17 N -3.44 4.38 0.99 3.22 1.43 -0.91 -5.09 118.68 119.25 3ig4 s LEU 17 Ca 0.05 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3ig4 s LEU 17 Cb 0.16 -2.59 0.19 0.00 0.03 0.00 0.00 46.19 43.97 3ig4 s LEU 17 CO 0.83 0.28 1.11 -2.16 0.23 0.00 0.00 176.35 176.63 3ig4 s PRO 18 N -1.66 0.46 0.92 1.29 0.04 -1.26 -4.99 135.00 129.80 3ig4 s PRO 18 Ca 0.26 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 3ig4 s PRO 18 Cb -0.13 -1.68 0.15 0.00 0.04 0.00 0.00 34.50 32.88 3ig4 s PRO 18 CO 0.15 -2.95 1.17 0.34 0.04 0.00 0.00 177.00 175.75 3ig4 s ASP 19 N -2.63 3.45 -1.30 6.66 2.15 -1.26 -4.29 116.67 119.45 3ig4 s ASP 19 Ca 0.67 0.81 -0.05 0.00 0.43 0.00 0.00 52.55 54.41 3ig4 s ASP 19 Cb -0.23 -1.27 -0.00 0.00 -0.30 0.00 0.00 42.92 41.11 3ig4 s ASP 19 CO 0.60 -2.57 0.61 -0.62 -0.17 0.00 0.00 175.17 173.01 3ig4 n GLU 20 N -3.76 -3.32 -3.81 4.34 -0.58 0.36 -4.99 120.64 108.88 3ig4 n GLU 20 Ca 0.08 0.50 -0.12 0.00 -0.42 0.00 0.00 57.16 57.20 3ig4 n GLU 20 Cb 0.60 -4.68 -0.09 0.00 -0.57 0.00 0.00 31.44 26.70 3ig4 n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ig4 s SER 21 N -4.14 -0.09 0.01 1.62 1.04 -0.84 -4.32 113.70 106.98 3ig4 s SER 21 Ca 0.12 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.57 3ig4 s SER 21 Cb -0.04 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3ig4 s SER 21 CO 0.85 -0.41 -0.20 -0.51 0.98 0.00 0.00 173.24 173.95 3ig4 s ILE 22 N -1.33 2.57 -0.07 -1.02 2.07 -0.32 -1.50 121.20 121.60 3ig4 s ILE 22 Ca -0.14 -1.12 0.03 0.00 -1.41 0.00 0.00 60.65 58.02 3ig4 s ILE 22 Cb -0.06 -2.02 0.00 0.00 0.13 0.00 0.00 42.46 40.51 3ig4 s ILE 22 CO 0.03 0.44 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.44 3ig4 s THR 23 N -0.80 1.49 -0.08 4.00 2.01 -0.19 -0.58 115.64 121.47 3ig4 s THR 23 Ca 0.12 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3ig4 s THR 23 Cb -0.10 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3ig4 s THR 23 CO 0.02 0.43 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 3ig4 s ILE 24 N 0.35 1.52 0.01 1.82 1.01 -0.57 -1.17 121.20 124.16 3ig4 s ILE 24 Ca -0.12 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3ig4 s ILE 24 Cb -0.15 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3ig4 s ILE 24 CO 0.04 0.44 -0.26 -0.76 0.00 0.00 0.00 174.94 174.41 3ig4 s LEU 25 N 0.60 2.15 -0.12 2.97 1.43 -0.52 -4.06 118.68 121.13 3ig4 s LEU 25 Ca -0.15 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3ig4 s LEU 25 Cb -0.16 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3ig4 s LEU 25 CO 0.05 0.29 -0.15 -0.36 0.23 0.00 0.00 176.35 176.41 3ig4 s PHE 26 N -0.72 2.75 0.45 0.29 0.08 -1.26 -1.50 117.98 118.07 3ig4 s PHE 26 Ca 0.11 -0.69 0.13 0.00 0.12 0.00 0.00 56.93 56.60 3ig4 s PHE 26 Cb -0.10 -1.80 1.02 0.00 -0.57 0.00 0.00 43.02 41.57 3ig4 s PHE 26 CO 0.01 -0.22 2.02 0.00 -0.10 0.00 0.00 175.22 176.93 3ig4 h ALA 27 N 6.61 1.74 0.00 5.36 0.00 -1.52 -3.46 119.26 127.99 3ig4 h ALA 27 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ig4 h ALA 27 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ig4 h ALA 27 CO 0.54 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3ig4 n GLY 28 N -1.17 -2.20 3.12 0.00 0.00 -1.26 -4.26 105.19 99.42 3ig4 n GLY 28 Ca -0.02 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 3ig4 n GLY 28 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ig4 s GLN 29 N -0.58 0.72 0.20 1.61 0.00 -1.26 -0.57 119.66 119.78 3ig4 s GLN 29 Ca 0.00 -1.29 -0.30 0.00 -0.00 0.00 0.00 55.36 53.76 3ig4 s GLN 29 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 33.01 33.06 3ig4 s GLN 29 CO 0.00 -0.13 1.39 0.00 0.00 0.00 0.00 175.29 176.55 3ig4 s ALA 30 N -3.89 3.59 0.64 2.60 0.00 -1.26 -4.98 121.76 118.45 3ig4 s ALA 30 Ca 0.12 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 3ig4 s ALA 30 Cb 0.07 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3ig4 s ALA 30 CO -0.06 -0.63 1.11 -1.25 0.00 0.00 0.00 175.76 174.92 3ig4 s PRO 31 N 0.12 2.93 1.14 0.00 0.04 -1.26 -4.76 135.00 133.20 3ig4 s PRO 31 Ca 0.60 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 3ig4 s PRO 31 Cb -0.39 -1.96 0.24 0.00 0.04 0.00 0.00 34.50 32.43 3ig4 s PRO 31 CO 0.38 -1.16 0.84 1.58 0.04 0.00 0.00 177.00 178.68 3ig4 n HIS 32 N -2.21 -1.10 -3.54 0.56 -0.00 -1.26 -1.25 115.22 106.43 3ig4 n HIS 32 Ca 0.10 -0.04 -0.38 0.00 -0.00 0.00 0.00 57.72 57.41 3ig4 n HIS 32 Cb 0.52 -1.71 -0.06 0.00 -0.00 0.00 0.00 29.99 28.74 3ig4 n HIS 32 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3ig4 s SER 34 N -2.32 6.73 0.72 0.26 0.15 -1.09 -4.66 113.70 113.49 3ig4 s SER 34 Ca 0.66 0.86 0.00 0.00 0.70 0.00 0.00 55.95 58.17 3ig4 s SER 34 Cb -0.23 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3ig4 s SER 34 CO 0.65 0.30 0.00 0.00 1.20 0.00 0.00 173.24 175.39 3ig4 n ALA 35 N 2.09 0.00 1.61 5.45 0.00 -1.26 -0.57 120.51 127.83 3ig4 n ALA 35 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.44 3ig4 n ALA 35 Cb 0.53 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.63 3ig4 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ig4 n ASP 36 N 2.85 0.84 -4.79 0.00 5.75 -1.26 -4.88 116.55 115.06 3ig4 n ASP 36 Ca 0.00 -1.15 -0.38 0.00 -0.01 0.00 0.00 54.79 53.26 3ig4 n ASP 36 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 3ig4 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ig4 s ALA 37 N -2.12 3.38 0.26 2.12 0.00 0.26 -5.09 121.76 120.57 3ig4 s ALA 37 Ca 0.38 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.79 3ig4 s ALA 37 Cb 0.21 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3ig4 s ALA 37 CO 0.38 0.27 -0.00 -1.01 0.00 0.00 0.00 175.76 175.40 3ig4 s HIS 38 N -1.38 2.71 1.00 0.00 3.76 -1.26 -2.66 115.29 117.45 3ig4 s HIS 38 Ca 0.42 -0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 54.99 3ig4 s HIS 38 Cb -0.20 -1.21 0.19 0.00 1.11 0.00 0.00 32.58 32.47 3ig4 s HIS 38 CO 0.24 0.61 1.08 0.71 -0.85 0.00 0.00 174.74 176.53 3ig4 s TYR 39 N -2.26 1.93 0.33 1.40 2.02 -0.38 -4.96 117.35 115.43 3ig4 s TYR 39 Ca 0.31 1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 57.92 3ig4 s TYR 39 Cb -0.07 -3.19 -0.11 0.00 -0.40 0.00 0.00 41.96 38.20 3ig4 s TYR 39 CO 0.20 -2.99 1.49 0.15 -1.57 0.00 0.00 175.55 172.83 3ig4 s LYS 40 N -4.79 4.17 0.21 -0.62 1.02 -1.26 -4.71 119.74 113.76 3ig4 s LYS 40 Ca 0.66 2.49 -0.30 0.00 0.02 0.00 0.00 55.97 58.83 3ig4 s LYS 40 Cb -0.20 -3.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 3ig4 s LYS 40 CO 0.59 -0.50 1.35 0.12 -0.92 0.00 0.00 175.35 175.99 3ig4 s PHE 41 N -0.64 3.19 -0.30 3.18 5.36 -1.26 -4.89 117.98 122.63 3ig4 s PHE 41 Ca 0.56 1.17 0.02 0.00 -0.96 0.00 0.00 56.93 57.72 3ig4 s PHE 41 Cb -0.45 -3.66 0.08 0.00 -0.34 0.00 0.00 43.02 38.65 3ig4 s PHE 41 CO 0.54 -2.10 0.01 0.08 -1.46 0.00 0.00 175.22 172.29 3ig4 s VAL 42 N 0.07 1.80 0.12 3.12 1.01 -1.26 -5.07 120.40 120.18 3ig4 s VAL 42 Ca 0.57 -1.78 -0.35 0.00 0.00 0.00 0.00 61.98 60.42 3ig4 s VAL 42 Cb -0.38 -2.21 -0.16 0.00 0.00 0.00 0.00 36.38 33.63 3ig4 s VAL 42 CO 0.40 -0.41 1.34 -2.65 0.00 0.00 0.00 175.10 173.78 3ig4 n PRO 43 N 4.50 1.31 -1.90 2.72 -0.02 -1.26 -4.83 135.00 135.51 3ig4 n PRO 43 Ca -0.04 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3ig4 n PRO 43 Cb 0.43 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3ig4 n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ig4 s ASN 44 N 0.44 6.60 0.21 2.55 3.84 -1.26 -4.88 114.94 122.43 3ig4 s ASN 44 Ca 0.81 2.38 -0.10 0.00 0.21 0.00 0.00 52.86 56.16 3ig4 s ASN 44 Cb -0.89 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 37.43 3ig4 s ASN 44 CO 0.47 -0.96 1.85 0.03 -2.79 0.00 0.00 177.10 175.69 3ig4 h ARG 45 N 9.81 1.01 -0.33 0.43 2.47 -1.95 0.24 114.38 126.05 3ig4 h ARG 45 Ca -0.43 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 3ig4 h ARG 45 Cb 1.20 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 3ig4 h ARG 45 CO 0.95 0.71 0.19 -0.91 0.56 0.00 0.00 179.97 181.47 3ig4 h ASN 46 N 1.02 0.42 -0.34 7.04 2.35 -1.98 0.44 115.58 124.52 3ig4 h ASN 46 Ca 0.27 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3ig4 h ASN 46 Cb -0.04 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3ig4 h ASN 46 CO -0.05 0.38 0.18 0.15 -1.65 0.00 0.00 177.43 176.44 3ig4 h PHE 47 N 0.42 0.34 0.13 1.19 3.57 -1.70 -0.87 116.94 120.02 3ig4 h PHE 47 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3ig4 h PHE 47 Cb 0.05 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3ig4 h PHE 47 CO -0.03 0.19 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.26 3ig4 h TYR 48 N 0.38 -0.16 -0.57 0.41 5.03 -0.08 0.27 116.97 122.26 3ig4 h TYR 48 Ca 0.14 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.58 3ig4 h TYR 48 Cb 0.03 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3ig4 h TYR 48 CO -0.09 -0.09 0.39 -0.92 -1.32 0.00 0.00 178.16 176.14 3ig4 h TYR 49 N -0.18 0.20 0.03 -3.82 3.20 0.21 0.57 116.97 117.17 3ig4 h TYR 49 Ca -0.02 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.58 3ig4 h TYR 49 Cb 0.14 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3ig4 h TYR 49 CO -0.07 0.08 -1.48 0.28 -1.64 0.00 0.00 178.16 175.34 3ig4 h VAL 50 N 0.18 1.15 0.00 1.81 2.07 -0.57 -3.42 116.25 117.46 3ig4 h VAL 50 Ca 0.27 -2.92 -0.10 0.00 0.82 0.00 0.00 66.70 64.78 3ig4 h VAL 50 Cb 0.83 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 3ig4 h VAL 50 CO -0.04 0.71 -1.40 0.35 0.02 0.00 0.00 177.57 177.21 3ig4 n THR 51 N -3.23 0.37 -0.98 2.57 -2.24 0.03 -4.71 114.28 106.09 3ig4 n THR 51 Ca -0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3ig4 n THR 51 Cb 1.02 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3ig4 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ig4 n GLY 52 N 2.58 0.51 3.61 3.38 0.00 0.19 -4.08 105.19 111.39 3ig4 n GLY 52 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3ig4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 53 N -2.22 5.21 -2.16 -0.61 -1.09 -1.26 -4.81 121.20 114.26 3ig4 s ILE 53 Ca 0.00 0.49 0.21 0.00 -2.23 0.00 0.00 60.65 59.13 3ig4 s ILE 53 Cb 0.00 -3.66 0.45 0.00 -1.58 0.00 0.00 42.46 37.67 3ig4 s ILE 53 CO 0.00 0.19 1.40 -0.90 -1.23 0.00 0.00 174.94 174.40 3ig4 n ASP 54 N 5.16 3.48 -4.87 3.58 5.75 -1.26 -4.56 116.55 123.83 3ig4 n ASP 54 Ca -0.10 -1.97 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 3ig4 n ASP 54 Cb 0.51 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 3ig4 n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ig4 s GLU 55 N -1.30 3.72 0.69 0.11 2.02 -1.26 -4.68 118.70 118.01 3ig4 s GLU 55 Ca 0.39 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.93 3ig4 s GLU 55 Cb 0.22 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.25 3ig4 s GLU 55 CO 0.30 -0.33 1.08 -1.25 0.02 0.00 0.00 175.26 175.08 3ig4 s PRO 56 N -4.56 2.99 0.00 0.39 0.04 -1.26 -4.46 135.00 128.14 3ig4 s PRO 56 Ca 0.54 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3ig4 s PRO 56 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3ig4 s PRO 56 CO 0.42 -0.96 0.00 0.09 0.04 0.00 0.00 177.00 176.59 3ig4 n ASN 57 N -2.98 -2.09 -4.87 6.66 3.02 0.26 -4.93 115.26 110.34 3ig4 n ASN 57 Ca 0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 3ig4 n ASN 57 Cb 0.56 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 3ig4 n ASN 57 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ig4 s VAL 58 N -2.59 4.76 -0.03 2.41 1.01 -1.26 -4.70 120.40 120.00 3ig4 s VAL 58 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.74 3ig4 s VAL 58 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3ig4 s VAL 58 CO 0.00 -0.41 -0.19 -0.63 0.00 0.00 0.00 175.10 173.87 3ig4 s ILE 59 N -2.24 1.51 0.52 2.22 1.01 -0.56 -1.25 121.20 122.41 3ig4 s ILE 59 Ca 0.52 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3ig4 s ILE 59 Cb -0.10 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3ig4 s ILE 59 CO 0.27 0.43 0.17 0.12 0.00 0.00 0.00 174.94 175.93 3ig4 s PHE 60 N -0.29 1.83 -0.30 3.97 5.36 -0.56 -0.68 117.98 127.31 3ig4 s PHE 60 Ca 0.03 -0.88 -0.18 0.00 -0.96 0.00 0.00 56.93 54.94 3ig4 s PHE 60 Cb -0.09 -1.76 0.18 0.00 -0.34 0.00 0.00 43.02 41.01 3ig4 s PHE 60 CO 0.00 -0.05 1.24 -1.17 -1.46 0.00 0.00 175.22 173.78 3ig4 s LEU 62 N -4.04 -0.10 -0.16 6.12 2.96 -0.32 -1.43 118.68 121.72 3ig4 s LEU 62 Ca 0.20 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.08 3ig4 s LEU 62 Cb 0.00 1.09 -0.05 0.00 0.50 0.00 0.00 46.19 47.74 3ig4 s LEU 62 CO 0.12 -0.02 0.19 -0.54 -1.32 0.00 0.00 176.35 174.78 3ig4 s LYS 63 N 2.74 4.03 -0.33 1.98 1.02 0.08 -1.03 119.74 128.23 3ig4 s LYS 63 Ca -0.07 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 55.86 3ig4 s LYS 63 Cb -0.06 -3.36 0.10 0.00 -0.52 0.00 0.00 37.83 33.99 3ig4 s LYS 63 CO -0.10 0.41 0.08 0.21 -0.92 0.00 0.00 175.35 175.03 3ig4 s LYS 64 N 0.01 1.07 -0.02 1.68 2.20 -0.56 -0.64 119.74 123.46 3ig4 s LYS 64 Ca 0.13 -1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 54.28 3ig4 s LYS 64 Cb -0.12 -2.54 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 3ig4 s LYS 64 CO 0.02 -0.97 0.04 -0.06 -0.36 0.00 0.00 175.35 174.02 3ig4 s PHE 65 N 1.27 0.03 0.00 4.03 0.08 -1.13 -0.48 117.98 121.77 3ig4 s PHE 65 Ca 0.10 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3ig4 s PHE 65 Cb -0.18 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 3ig4 s PHE 65 CO -0.17 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 3ig4 n GLY 66 N 4.34 4.10 0.00 4.36 0.00 -1.26 -0.41 105.19 116.33 3ig4 n GLY 66 Ca -0.25 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3ig4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ig4 n ASN 67 N 7.70 0.84 -4.76 1.61 3.02 -1.26 -4.92 115.26 117.49 3ig4 n ASN 67 Ca 0.00 -0.77 -0.30 0.00 -0.03 0.00 0.00 54.58 53.48 3ig4 n ASN 67 Cb 0.00 0.81 0.11 0.00 -0.61 0.00 0.00 39.78 40.09 3ig4 n ASN 67 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ig4 s SER 68 N -3.05 4.05 -0.29 6.41 0.01 0.46 -5.08 113.70 116.22 3ig4 s SER 68 Ca 0.08 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.82 3ig4 s SER 68 Cb 0.16 -2.20 0.18 0.00 0.21 0.00 0.00 66.02 64.37 3ig4 s SER 68 CO 0.82 -2.27 0.57 -0.69 0.41 0.00 0.00 173.24 172.08 3ig4 s VAL 69 N -3.00 -0.94 -0.21 3.43 1.01 -1.26 -2.83 120.40 116.60 3ig4 s VAL 69 Ca 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 3ig4 s VAL 69 Cb -0.16 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3ig4 s VAL 69 CO 0.56 -0.02 -0.11 -1.61 0.00 0.00 0.00 175.10 173.92 3ig4 s GLU 70 N 2.82 3.11 -0.14 2.72 2.02 0.19 -4.95 118.70 124.46 3ig4 s GLU 70 Ca 0.18 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 3ig4 s GLU 70 Cb -0.15 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 3ig4 s GLU 70 CO -0.20 -0.24 0.10 -1.21 0.02 0.00 0.00 175.26 173.72 3ig4 s GLU 71 N 1.37 3.57 0.02 1.61 2.02 -1.26 -0.74 118.70 125.29 3ig4 s GLU 71 Ca 0.04 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.81 3ig4 s GLU 71 Cb -0.14 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 3ig4 s GLU 71 CO -0.08 0.59 -0.05 0.99 0.02 0.00 0.00 175.26 176.74 3ig4 s THR 72 N -0.51 0.34 0.01 3.63 2.01 -1.26 -4.27 115.64 115.59 3ig4 s THR 72 Ca 0.11 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.60 3ig4 s THR 72 Cb -0.12 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3ig4 s THR 72 CO 0.02 -0.17 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.82 3ig4 s LEU 73 N -0.80 2.43 -0.20 4.42 1.43 -0.71 -4.45 118.68 120.81 3ig4 s LEU 73 Ca -0.05 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3ig4 s LEU 73 Cb -0.06 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.73 3ig4 s LEU 73 CO -0.00 0.29 -0.14 -0.36 0.23 0.00 0.00 176.35 176.37 3ig4 s PHE 74 N -0.80 2.85 0.43 0.29 0.40 0.15 -0.42 117.98 120.87 3ig4 s PHE 74 Ca 0.13 -1.36 0.07 0.00 -0.60 0.00 0.00 56.93 55.16 3ig4 s PHE 74 Cb -0.10 -2.00 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 3ig4 s PHE 74 CO 0.02 -0.70 0.11 0.96 0.70 0.00 0.00 175.22 176.31 3ig4 s ILE 75 N 1.37 2.06 0.38 0.64 -4.36 0.24 -1.49 121.20 120.04 3ig4 s ILE 75 Ca 0.05 -1.83 -0.25 0.00 -0.26 0.00 0.00 60.65 58.36 3ig4 s ILE 75 Cb -0.14 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 3ig4 s ILE 75 CO -0.09 0.00 1.07 -1.61 0.24 0.00 0.00 174.94 174.55 3ig4 s GLU 76 N -3.84 4.21 0.68 0.37 0.41 -1.26 -1.13 118.70 118.13 3ig4 s GLU 76 Ca 0.35 1.60 -0.11 0.00 -0.41 0.00 0.00 54.97 56.40 3ig4 s GLU 76 Cb 0.06 -2.65 -0.00 0.00 -1.78 0.00 0.00 34.13 29.76 3ig4 s GLU 76 CO 0.19 -0.12 1.06 0.15 -0.49 0.00 0.00 175.26 176.04 3ig4 s LYS 77 N -2.32 3.07 0.34 1.61 1.02 -1.26 -4.94 119.74 117.26 3ig4 s LYS 77 Ca 0.56 0.85 -0.26 0.00 0.02 0.00 0.00 55.97 57.13 3ig4 s LYS 77 Cb -0.25 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 3ig4 s LYS 77 CO 0.31 -0.98 1.04 -1.54 -0.92 0.00 0.00 175.35 173.27 3ig4 s SER 78 N -3.94 7.04 -0.35 2.83 1.04 -1.26 -5.02 113.70 114.03 3ig4 s SER 78 Ca 0.57 2.08 0.01 0.00 0.48 0.00 0.00 55.95 59.09 3ig4 s SER 78 Cb -0.13 -2.60 0.11 0.00 0.10 0.00 0.00 66.02 63.50 3ig4 s SER 78 CO 0.54 -0.29 0.12 -0.62 0.98 0.00 0.00 173.24 173.97 3ig4 s ASP 79 N -1.34 4.10 0.57 7.02 2.15 -1.26 -5.01 116.67 122.90 3ig4 s ASP 79 Ca 0.52 -1.98 0.30 0.00 0.43 0.00 0.00 52.55 51.82 3ig4 s ASP 79 Cb -0.25 -1.06 1.45 0.00 -0.30 0.00 0.00 42.92 42.76 3ig4 s ASP 79 CO 0.32 -0.37 1.86 -0.65 -0.17 0.00 0.00 175.17 176.15 3ig4 h PRO 80 N 7.67 0.00 -0.90 4.34 0.11 -2.01 -2.31 132.00 138.91 3ig4 h PRO 80 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ig4 h PRO 80 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ig4 h PRO 80 CO 0.49 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.56 3ig4 n VAL 81 N -3.85 0.17 0.00 3.15 0.31 -1.26 -4.01 118.33 112.83 3ig4 n VAL 81 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3ig4 n VAL 81 Cb 0.82 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3ig4 n VAL 81 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ig4 n GLU 83 N 0.19 0.00 0.14 5.55 1.02 -0.87 -3.89 120.64 122.78 3ig4 n GLU 83 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3ig4 n GLU 83 Cb 0.25 -0.08 0.26 0.00 -0.02 0.00 0.00 31.44 31.85 3ig4 n GLU 83 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ig4 h LYS 84 N 0.00 0.00 0.00 3.49 1.57 -1.86 -2.74 116.57 117.03 3ig4 h LYS 84 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 3ig4 h LYS 84 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3ig4 h LYS 84 CO 0.00 0.00 -2.51 0.91 -0.57 0.00 0.00 179.45 177.28 3ig4 n TRP 85 N -2.57 0.00 0.17 -1.35 7.02 -1.25 -4.80 117.44 114.66 3ig4 n TRP 85 Ca 0.04 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.55 3ig4 n TRP 85 Cb 0.48 -0.98 -0.04 0.00 -2.42 0.00 0.00 31.31 28.35 3ig4 n TRP 85 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3ig4 n VAL 86 N -4.07 0.00 -0.04 -0.99 0.31 -1.26 -5.13 118.33 107.16 3ig4 n VAL 86 Ca -0.52 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 3ig4 n VAL 86 Cb 0.90 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 34.60 3ig4 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ig4 n GLY 87 N 1.49 -3.92 3.75 2.92 0.00 -1.03 -4.98 105.19 103.42 3ig4 n GLY 87 Ca 0.00 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 3ig4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig4 s LYS 88 N -0.86 4.76 0.58 1.61 1.02 -1.26 -4.20 119.74 121.39 3ig4 s LYS 88 Ca 0.00 1.62 -0.05 0.00 0.02 0.00 0.00 55.97 57.56 3ig4 s LYS 88 Cb 0.00 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3ig4 s LYS 88 CO 0.00 0.37 0.88 0.95 -0.92 0.00 0.00 175.35 176.63 3ig4 s THR 89 N -1.10 3.48 0.27 2.17 -4.23 -1.26 -5.00 115.64 109.96 3ig4 s THR 89 Ca 0.43 -0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 3ig4 s THR 89 Cb -0.28 -3.38 -0.13 0.00 1.34 0.00 0.00 72.50 70.05 3ig4 s THR 89 CO 0.36 -0.37 1.29 0.55 -0.54 0.00 0.00 174.62 175.91 3ig4 n VAL 90 N -2.55 1.38 -2.64 2.29 3.14 -1.26 -4.96 118.33 113.73 3ig4 n VAL 90 Ca 0.05 -0.34 -0.23 0.00 -2.96 0.00 0.00 64.34 60.86 3ig4 n VAL 90 Cb 0.58 -1.37 0.04 0.00 -1.06 0.00 0.00 33.84 32.03 3ig4 n VAL 90 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3ig4 s SER 91 N -0.02 5.36 0.23 6.55 1.04 -1.26 -4.82 113.70 120.77 3ig4 s SER 91 Ca 0.64 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 3ig4 s SER 91 Cb -0.66 -1.11 0.38 0.00 0.10 0.00 0.00 66.02 64.73 3ig4 s SER 91 CO 0.55 -1.10 1.73 -1.13 0.98 0.00 0.00 173.24 174.26 3ig4 h ASN 92 N 0.03 0.21 0.26 7.02 -0.73 -1.93 -0.65 115.58 119.79 3ig4 h ASN 92 Ca -0.44 0.10 -0.34 0.00 1.87 0.00 0.00 56.30 57.50 3ig4 h ASN 92 Cb 1.29 0.09 0.04 0.00 0.27 0.00 0.00 38.32 40.01 3ig4 h ASN 92 CO 0.55 0.09 -1.49 -0.33 -0.37 0.00 0.00 177.43 175.89 3ig4 h GLU 93 N 0.40 0.54 -0.81 6.67 5.08 -1.98 -3.10 114.58 121.38 3ig4 h GLU 93 Ca 0.37 -0.93 0.07 0.00 -1.00 0.00 0.00 59.36 57.87 3ig4 h GLU 93 Cb 0.52 0.34 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 3ig4 h GLU 93 CO -0.38 1.44 0.48 0.93 -1.00 0.00 0.00 179.01 180.48 3ig4 h GLU 94 N 0.14 0.83 -0.52 2.33 5.08 -1.89 -0.83 114.58 119.73 3ig4 h GLU 94 Ca -0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3ig4 h GLU 94 Cb 2.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 3ig4 h GLU 94 CO 0.28 0.55 0.26 0.00 -1.00 0.00 0.00 179.01 179.10 3ig4 h ALA 95 N 1.41 0.66 -0.29 3.43 0.00 -1.16 -0.12 119.26 123.18 3ig4 h ALA 95 Ca 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ig4 h ALA 95 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ig4 h ALA 95 CO -0.20 0.21 0.12 1.49 0.00 0.00 0.00 179.25 180.87 3ig4 h GLU 96 N 0.69 0.44 -0.65 0.00 4.81 -1.40 -1.94 114.58 116.54 3ig4 h GLU 96 Ca 0.18 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ig4 h GLU 96 Cb 0.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3ig4 h GLU 96 CO -0.03 0.46 0.41 -0.22 -0.73 0.00 0.00 179.01 178.91 3ig4 h LYS 97 N 0.32 0.86 -0.20 1.92 3.11 -0.72 -0.47 116.57 121.40 3ig4 h LYS 97 Ca 0.10 -0.06 -0.16 0.00 -2.81 0.00 0.00 60.65 57.72 3ig4 h LYS 97 Cb 0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3ig4 h LYS 97 CO -0.01 0.59 -0.49 0.82 -2.81 0.00 0.00 179.45 177.56 3ig4 h ILE 98 N 0.88 1.31 0.00 2.00 2.04 -0.98 -3.34 117.51 119.41 3ig4 h ILE 98 Ca 0.23 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3ig4 h ILE 98 Cb -0.07 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3ig4 h ILE 98 CO -0.05 0.54 -1.16 -1.54 0.00 0.00 0.00 178.15 175.94 3ig4 n SER 99 N -4.16 0.62 0.00 1.72 3.41 -0.73 -4.03 113.62 110.45 3ig4 n SER 99 Ca -0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3ig4 n SER 99 Cb 0.59 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 3ig4 n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ig4 n GLY 100 N 1.26 0.43 3.67 5.00 0.00 -0.19 -4.45 105.19 110.90 3ig4 n GLY 100 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ig4 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 101 N -2.12 5.02 -0.01 -0.61 1.01 -1.24 -4.98 121.20 118.27 3ig4 s ILE 101 Ca 0.00 1.22 -0.21 0.00 0.00 0.00 0.00 60.65 61.66 3ig4 s ILE 101 Cb 0.00 -3.96 -0.22 0.00 0.01 0.00 0.00 42.46 38.29 3ig4 s ILE 101 CO 0.00 0.13 1.11 0.50 0.00 0.00 0.00 174.94 176.68 3ig4 h LYS 102 N 7.36 0.33 -5.70 2.79 3.64 -1.89 -3.40 116.57 119.70 3ig4 h LYS 102 Ca -0.33 -0.32 -0.63 0.00 -1.27 0.00 0.00 60.65 58.11 3ig4 h LYS 102 Cb 1.15 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 3ig4 h LYS 102 CO 0.77 1.00 0.41 0.21 -2.27 0.00 0.00 179.45 179.58 3ig4 s LYS 103 N -3.31 3.33 -0.23 1.90 2.20 -1.26 -4.97 119.74 117.39 3ig4 s LYS 103 Ca -0.14 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 3ig4 s LYS 103 Cb 0.03 -4.02 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 3ig4 s LYS 103 CO 0.79 -1.32 -0.14 0.08 -0.36 0.00 0.00 175.35 174.41 3ig4 s VAL 104 N 3.52 2.20 0.00 4.02 1.01 -1.26 -1.74 120.40 128.14 3ig4 s VAL 104 Ca 0.28 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3ig4 s VAL 104 Cb -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3ig4 s VAL 104 CO 0.19 0.19 0.00 2.30 0.00 0.00 0.00 175.10 177.78 3ig4 n ILE 105 N 4.52 0.00 -4.24 2.22 -5.35 0.44 -4.98 119.36 111.98 3ig4 n ILE 105 Ca -0.17 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.03 3ig4 n ILE 105 Cb 0.45 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.25 3ig4 n ILE 105 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3ig4 s TYR 106 N -0.61 2.73 0.42 4.28 2.02 -1.26 -0.59 117.35 124.34 3ig4 s TYR 106 Ca 0.00 -0.17 0.10 0.00 -0.37 0.00 0.00 57.07 56.63 3ig4 s TYR 106 Cb 0.00 -1.37 0.94 0.00 -0.40 0.00 0.00 41.96 41.13 3ig4 s TYR 106 CO 0.00 0.48 2.03 -0.07 -1.57 0.00 0.00 175.55 176.42 3ig4 h LEU 107 N 3.15 0.41 0.00 -1.29 3.38 -1.42 -1.45 115.31 118.10 3ig4 h LEU 107 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ig4 h LEU 107 Cb 1.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ig4 h LEU 107 CO 0.54 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.45 3ig4 n ASP 108 N -4.48 0.00 -0.47 -0.43 5.68 -1.26 -0.62 116.55 114.97 3ig4 n ASP 108 Ca 0.06 0.18 0.04 0.00 -0.50 0.00 0.00 54.79 54.57 3ig4 n ASP 108 Cb 0.19 -0.27 0.12 0.00 -1.14 0.00 0.00 41.12 40.02 3ig4 n ASP 108 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ig4 n SER 109 N -1.27 2.73 -0.03 -1.12 3.41 -0.55 -4.67 113.62 112.13 3ig4 n SER 109 Ca 0.03 -2.09 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 3ig4 n SER 109 Cb 0.04 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 3ig4 n SER 109 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ig4 h PHE 110 N 1.43 0.22 0.25 7.33 3.57 -0.98 -2.65 116.94 126.10 3ig4 h PHE 110 Ca 0.00 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3ig4 h PHE 110 Cb 0.72 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3ig4 h PHE 110 CO 0.18 0.66 -0.34 0.93 -2.23 0.00 0.00 178.31 177.52 3ig4 h GLU 111 N -0.29 -0.62 -0.79 1.11 5.08 -1.83 -2.05 114.58 115.20 3ig4 h GLU 111 Ca 0.01 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 3ig4 h GLU 111 Cb 0.64 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 3ig4 h GLU 111 CO 0.02 -0.41 0.52 -0.22 -1.00 0.00 0.00 179.01 177.91 3ig4 h LYS 112 N -0.64 0.63 -1.86 2.33 3.64 -1.87 -2.11 116.57 116.68 3ig4 h LYS 112 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ig4 h LYS 112 Cb 0.62 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3ig4 h LYS 112 CO -0.12 0.42 0.00 2.41 -2.27 0.00 0.00 179.45 179.89 3ig4 n THR 113 N -4.51 0.20 0.00 1.00 -1.04 -0.77 -2.11 114.28 107.05 3ig4 n THR 113 Ca 0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3ig4 n THR 113 Cb 0.39 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 3ig4 n THR 113 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3ig4 n SER 115 N 1.10 0.00 -0.17 8.00 7.64 -0.80 -0.73 113.62 128.67 3ig4 n SER 115 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 3ig4 n SER 115 Cb 0.09 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.36 3ig4 n SER 115 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ig4 h ASN 116 N 0.00 0.01 -0.20 6.43 -0.26 -1.72 0.31 115.58 120.16 3ig4 h ASN 116 Ca 0.00 0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.87 3ig4 h ASN 116 Cb 0.00 0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 3ig4 h ASN 116 CO 0.00 0.03 -0.07 0.40 -1.06 0.00 0.00 177.43 176.73 3ig4 h ILE 117 N 0.25 0.75 -0.00 2.81 5.03 -1.20 -1.25 117.51 123.90 3ig4 h ILE 117 Ca 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.00 3ig4 h ILE 117 Cb 0.36 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 3ig4 h ILE 117 CO -0.34 0.00 -0.50 0.49 -0.68 0.00 0.00 178.15 177.13 3ig4 n PHE 118 N -5.22 0.00 -0.00 1.37 3.72 -0.89 -3.17 117.46 113.26 3ig4 n PHE 118 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 3ig4 n PHE 118 Cb 0.15 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3ig4 n PHE 118 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ig4 n PHE 119 N -1.21 0.00 -0.33 1.38 7.35 0.05 -4.53 117.46 120.17 3ig4 n PHE 119 Ca 0.07 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 3ig4 n PHE 119 Cb 0.34 -0.07 0.09 0.00 0.35 0.00 0.00 39.48 40.19 3ig4 n PHE 119 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3ig4 h THR 120 N -0.15 1.25 -0.14 -2.13 2.02 -1.40 -2.81 112.91 109.55 3ig4 h THR 120 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3ig4 h THR 120 Cb 0.15 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3ig4 h THR 120 CO 0.00 0.27 0.00 -0.62 0.37 0.00 0.00 175.52 175.54 3ig4 n GLU 121 N -4.38 1.96 -4.21 6.66 1.02 -0.60 -4.96 120.64 116.14 3ig4 n GLU 121 Ca 0.09 -1.43 -0.35 0.00 -0.02 0.00 0.00 57.16 55.46 3ig4 n GLU 121 Cb 0.07 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3ig4 n GLU 121 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ig4 n ASN 122 N 0.68 -2.77 -4.75 1.62 4.13 -1.06 -4.90 115.26 108.21 3ig4 n ASN 122 Ca 0.17 -1.03 -0.41 0.00 1.68 0.00 0.00 54.58 54.99 3ig4 n ASN 122 Cb 0.44 -2.71 -0.02 0.00 -1.54 0.00 0.00 39.78 35.94 3ig4 n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ig4 s VAL 123 N -3.40 2.83 -0.07 2.41 1.01 -1.19 -4.92 120.40 117.07 3ig4 s VAL 123 Ca 0.64 0.72 0.04 0.00 0.00 0.00 0.00 61.98 63.37 3ig4 s VAL 123 Cb -0.35 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3ig4 s VAL 123 CO 0.93 0.12 0.11 0.29 0.00 0.00 0.00 175.10 176.55 3ig4 n LYS 124 N 2.11 2.53 -3.95 2.72 5.02 -1.26 -4.88 118.16 120.45 3ig4 n LYS 124 Ca 0.05 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 3ig4 n LYS 124 Cb 0.41 -0.91 -0.16 0.00 -0.02 0.00 0.00 35.03 34.35 3ig4 n LYS 124 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ig4 s HIS 125 N -1.86 1.99 -0.10 2.13 2.46 -1.26 0.32 115.29 118.98 3ig4 s HIS 125 Ca -0.00 -1.23 0.04 0.00 0.47 0.00 0.00 55.06 54.34 3ig4 s HIS 125 Cb 0.02 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 3ig4 s HIS 125 CO 0.15 -0.65 -0.23 -1.17 -2.47 0.00 0.00 174.74 170.36 3ig4 s LEU 126 N 1.54 2.05 -0.11 8.88 2.96 0.80 -1.18 118.68 133.61 3ig4 s LEU 126 Ca 0.01 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3ig4 s LEU 126 Cb -0.15 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3ig4 s LEU 126 CO -0.09 0.14 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.72 3ig4 s TYR 127 N 0.40 2.97 0.22 5.38 2.02 0.25 0.17 117.35 128.75 3ig4 s TYR 127 Ca -0.18 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 3ig4 s TYR 127 Cb -0.18 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3ig4 s TYR 127 CO 0.08 0.12 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.56 3ig4 s LEU 128 N -0.17 2.51 -0.79 -1.29 1.43 -0.46 -1.52 118.68 118.39 3ig4 s LEU 128 Ca 0.02 -1.07 -0.22 0.00 -1.03 0.00 0.00 54.13 51.83 3ig4 s LEU 128 Cb -0.13 -0.60 0.08 0.00 0.03 0.00 0.00 46.19 45.57 3ig4 s LEU 128 CO 0.03 -0.25 1.12 -0.62 0.23 0.00 0.00 176.35 176.86 3ig4 s ASP 129 N -3.33 6.34 -0.75 2.29 -1.08 -1.26 -0.36 116.67 118.52 3ig4 s ASP 129 Ca 0.24 -1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 51.00 3ig4 s ASP 129 Cb 0.01 -2.46 0.40 0.00 -1.46 0.00 0.00 42.92 39.42 3ig4 s ASP 129 CO 0.07 -1.41 2.02 0.18 0.52 0.00 0.00 175.17 176.56 3ig4 n LEU 130 N 7.82 7.60 -4.63 -1.34 4.77 -1.26 -4.91 117.00 125.05 3ig4 n LEU 130 Ca 0.10 -4.55 -0.42 0.00 -0.03 0.00 0.00 56.01 51.10 3ig4 n LEU 130 Cb 0.48 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3ig4 n LEU 130 CO 0.62 1.61 1.73 1.21 -1.33 0.00 0.00 177.39 181.22 3ig4 n GLU 131 N -0.74 2.46 -3.62 3.23 2.13 -1.26 -4.95 120.64 117.88 3ig4 n GLU 131 Ca 0.59 0.81 -0.27 0.00 0.66 0.00 0.00 57.16 58.95 3ig4 n GLU 131 Cb 0.46 -3.12 -0.16 0.00 0.27 0.00 0.00 31.44 28.89 3ig4 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ig4 n ARG 133 N 5.21 0.38 -4.08 0.00 1.74 -1.26 -4.86 116.66 113.80 3ig4 n ARG 133 Ca -0.07 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 3ig4 n ARG 133 Cb 0.47 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 3ig4 n ARG 133 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ig4 s GLU 134 N -3.28 3.19 0.31 5.56 2.02 -1.26 -5.00 118.70 120.24 3ig4 s GLU 134 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3ig4 s GLU 134 Cb 0.14 -2.77 0.59 0.00 0.10 0.00 0.00 34.13 32.19 3ig4 s GLU 134 CO 0.85 -0.18 1.90 2.35 0.02 0.00 0.00 175.26 180.20 3ig4 h TRP 135 N 7.93 1.00 -0.47 1.61 2.91 -2.05 -1.68 115.95 125.21 3ig4 h TRP 135 Ca -0.42 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.57 3ig4 h TRP 135 Cb 1.16 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.45 3ig4 h TRP 135 CO 0.53 0.49 0.05 1.63 -1.03 0.00 0.00 178.44 180.10 3ig4 n LYS 136 N -4.52 3.70 -0.72 2.65 5.02 -1.26 -5.01 118.16 118.02 3ig4 n LYS 136 Ca 0.15 -3.03 -0.33 0.00 -2.02 0.00 0.00 58.31 53.08 3ig4 n LYS 136 Cb 0.26 -2.06 0.15 0.00 -0.02 0.00 0.00 35.03 33.36 3ig4 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig4 n GLY 137 N -0.10 -2.56 3.92 0.72 0.00 -0.63 -5.02 105.19 101.52 3ig4 n GLY 137 Ca 0.28 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3ig4 n GLY 137 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ig4 s THR 138 N -2.21 5.14 0.28 2.61 -1.32 -1.26 -5.05 115.64 113.83 3ig4 s THR 138 Ca 0.53 -0.84 -0.30 0.00 -1.21 0.00 0.00 61.69 59.88 3ig4 s THR 138 Cb -0.09 -3.68 -0.11 0.00 -1.51 0.00 0.00 72.50 67.11 3ig4 s THR 138 CO 0.66 -0.15 1.53 -0.70 -2.21 0.00 0.00 174.62 173.75 3ig4 s GLU 139 N -3.38 4.18 0.41 7.08 2.12 -1.26 -5.01 118.70 122.84 3ig4 s GLU 139 Ca 0.34 2.48 0.07 0.00 0.36 0.00 0.00 54.97 58.22 3ig4 s GLU 139 Cb -0.10 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 3ig4 s GLU 139 CO 0.28 -0.54 0.28 0.95 -0.54 0.00 0.00 175.26 175.68 3ig4 s THR 140 N -0.10 2.48 0.25 -1.70 -4.23 -1.26 -4.97 115.64 106.11 3ig4 s THR 140 Ca 0.61 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 3ig4 s THR 140 Cb -0.46 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 70.64 3ig4 s THR 140 CO 0.47 -0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.58 3ig4 h LYS 141 N 1.23 1.26 -0.07 3.99 1.57 -1.99 -0.43 116.57 122.13 3ig4 h LYS 141 Ca -0.42 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3ig4 h LYS 141 Cb 1.26 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3ig4 h LYS 141 CO 0.64 0.83 -0.00 1.15 -0.57 0.00 0.00 179.45 181.50 3ig4 h THR 142 N 1.30 1.26 -0.80 -0.16 2.02 -1.96 -0.73 112.91 113.83 3ig4 h THR 142 Ca 0.38 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3ig4 h THR 142 Cb -0.07 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 3ig4 h THR 142 CO -0.11 0.22 0.53 -0.07 0.37 0.00 0.00 175.52 176.46 3ig4 h LEU 143 N -0.16 0.84 -0.85 2.58 3.38 -1.90 0.50 115.31 119.70 3ig4 h LEU 143 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ig4 h LEU 143 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ig4 h LEU 143 CO 0.00 0.57 0.13 0.00 0.09 0.00 0.00 178.44 179.24 3ig4 h ALA 144 N 1.54 1.06 -0.04 1.53 0.00 -0.91 -0.25 119.26 122.19 3ig4 h ALA 144 Ca 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ig4 h ALA 144 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ig4 h ALA 144 CO -0.10 0.61 0.02 0.35 0.00 0.00 0.00 179.25 180.14 3ig4 h PHE 145 N 0.94 0.05 -0.32 0.00 3.04 -0.08 -0.12 116.94 120.45 3ig4 h PHE 145 Ca 0.20 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.21 3ig4 h PHE 145 Cb 0.36 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.78 3ig4 h PHE 145 CO 0.02 0.16 -0.12 0.00 -2.02 0.00 0.00 178.31 176.35 3ig4 h ALA 146 N 0.89 0.15 -0.47 2.41 0.00 -0.65 -0.31 119.26 121.28 3ig4 h ALA 146 Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3ig4 h ALA 146 Cb 0.12 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3ig4 h ALA 146 CO -0.00 -0.51 0.20 -0.22 0.00 0.00 0.00 179.25 178.72 3ig4 h LYS 147 N -0.06 0.39 -0.12 0.00 3.64 -0.83 -0.13 116.57 119.45 3ig4 h LYS 147 Ca 0.16 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3ig4 h LYS 147 Cb 0.31 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3ig4 h LYS 147 CO -0.36 0.26 -0.07 1.25 -2.27 0.00 0.00 179.45 178.25 3ig4 h HIS 148 N 0.40 -0.16 -0.96 1.91 2.76 -0.39 -0.60 115.15 118.12 3ig4 h HIS 148 Ca 0.22 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.51 3ig4 h HIS 148 Cb 0.18 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.16 3ig4 h HIS 148 CO -0.13 -0.11 0.61 0.28 -1.30 0.00 0.00 177.93 177.28 3ig4 h VAL 149 N -0.06 0.94 -0.51 5.26 2.07 -0.25 -0.20 116.25 123.51 3ig4 h VAL 149 Ca 0.07 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3ig4 h VAL 149 Cb 0.17 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3ig4 h VAL 149 CO -0.16 0.17 0.06 -0.09 0.02 0.00 0.00 177.57 177.57 3ig4 h ARG 150 N 0.94 0.81 -0.03 1.57 2.43 -0.34 0.17 114.38 119.93 3ig4 h ARG 150 Ca 0.46 -0.19 -0.18 0.00 -0.81 0.00 0.00 59.98 59.26 3ig4 h ARG 150 Cb 0.46 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3ig4 h ARG 150 CO -0.22 0.78 -0.68 0.93 -1.51 0.00 0.00 179.97 179.26 3ig4 h GLU 151 N 0.77 0.52 0.00 0.20 5.08 0.48 -3.11 114.58 118.52 3ig4 h GLU 151 Ca 0.16 -0.52 -0.24 0.00 -1.00 0.00 0.00 59.36 57.76 3ig4 h GLU 151 Cb 0.38 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3ig4 h GLU 151 CO 0.01 1.15 -1.23 1.96 -1.00 0.00 0.00 179.01 179.90 3ig4 h GLN 152 N 0.09 0.00 -2.07 2.33 1.08 -1.26 -3.39 115.11 111.89 3ig4 h GLN 152 Ca -0.08 -0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.61 3ig4 h GLN 152 Cb 1.36 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.39 3ig4 h GLN 152 CO 0.14 0.84 -1.05 0.66 -0.95 0.00 0.00 178.83 178.47 3ig4 n TYR 153 N -3.25 1.15 0.31 2.96 4.01 0.58 -4.94 117.16 117.98 3ig4 n TYR 153 Ca -0.05 -3.86 0.16 0.00 -0.16 0.00 0.00 57.90 53.99 3ig4 n TYR 153 Cb 0.98 -0.44 0.87 0.00 -0.31 0.00 0.00 39.34 40.44 3ig4 n TYR 153 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ig4 h PRO 154 N 3.06 0.00 0.00 -0.72 0.13 -1.67 0.44 132.00 133.24 3ig4 h PRO 154 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ig4 h PRO 154 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ig4 h PRO 154 CO 0.58 0.00 -0.30 -2.39 -0.23 0.00 0.00 178.00 175.67 3ig4 n HIS 155 N -2.83 0.56 -2.57 1.56 1.44 -1.26 -4.86 115.22 107.26 3ig4 n HIS 155 Ca -0.02 0.16 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 3ig4 n HIS 155 Cb 0.27 -0.70 -0.03 0.00 0.12 0.00 0.00 29.99 29.66 3ig4 n HIS 155 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3ig4 s VAL 156 N -3.10 4.48 -0.07 0.61 1.01 0.14 -4.98 120.40 118.49 3ig4 s VAL 156 Ca 0.09 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.59 3ig4 s VAL 156 Cb 0.14 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3ig4 s VAL 156 CO 0.65 0.10 0.87 -0.89 0.00 0.00 0.00 175.10 175.82 3ig4 s THR 157 N 1.35 4.92 -0.19 3.92 2.01 0.15 -4.93 115.64 122.87 3ig4 s THR 157 Ca 0.54 1.78 -0.06 0.00 0.31 0.00 0.00 61.69 64.26 3ig4 s THR 157 Cb -0.24 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3ig4 s THR 157 CO 0.26 0.14 0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 3ig4 s ILE 158 N 1.30 4.37 0.28 1.82 1.01 -1.26 -0.14 121.20 128.58 3ig4 s ILE 158 Ca 0.44 -0.18 0.12 0.00 0.00 0.00 0.00 60.65 61.03 3ig4 s ILE 158 Cb -0.19 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3ig4 s ILE 158 CO 0.21 0.44 -0.19 -0.83 0.00 0.00 0.00 174.94 174.56 3ig4 s GLY 159 N 0.73 1.90 -0.28 6.18 0.00 0.13 -4.97 107.32 111.01 3ig4 s GLY 159 Ca 0.02 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 3ig4 s GLY 159 CO 0.02 -1.97 0.18 0.21 0.00 0.00 0.00 173.10 171.54 3ig4 s ASN 160 N -3.52 5.90 0.00 1.64 2.47 -1.26 -1.36 114.94 118.82 3ig4 s ASN 160 Ca 0.30 -0.08 0.25 0.00 0.42 0.00 0.00 52.86 53.75 3ig4 s ASN 160 Cb -0.05 -2.09 0.49 0.00 -1.45 0.00 0.00 41.25 38.15 3ig4 s ASN 160 CO 0.15 -0.07 1.40 0.55 -3.72 0.00 0.00 177.10 175.41 3ig4 n VAL 161 N 5.05 0.00 -0.06 -5.21 3.14 0.51 -4.45 118.33 117.32 3ig4 n VAL 161 Ca -0.14 -0.08 -0.14 0.00 -2.96 0.00 0.00 64.34 61.02 3ig4 n VAL 161 Cb 0.52 0.50 -0.09 0.00 -1.06 0.00 0.00 33.84 33.70 3ig4 n VAL 161 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3ig4 h TYR 162 N 0.78 -1.57 -0.68 1.45 3.20 -1.91 -1.36 116.97 116.87 3ig4 h TYR 162 Ca 0.00 0.07 0.15 0.00 3.14 0.00 0.00 58.73 62.08 3ig4 h TYR 162 Cb 0.53 0.72 -0.11 0.00 1.54 0.00 0.00 36.73 39.41 3ig4 h TYR 162 CO 0.00 -0.50 0.08 -1.35 -1.64 0.00 0.00 178.16 174.75 3ig4 h PRO 163 N -0.49 0.18 -0.66 1.82 0.11 -1.97 -0.88 132.00 130.12 3ig4 h PRO 163 Ca 0.04 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.27 3ig4 h PRO 163 Cb 0.62 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 3ig4 h PRO 163 CO -0.47 0.12 0.17 -0.91 -0.21 0.00 0.00 178.00 176.70 3ig4 h ASN 164 N 0.19 0.05 0.40 -2.05 -0.26 -1.52 -1.50 115.58 110.89 3ig4 h ASN 164 Ca 0.37 0.12 -0.27 0.00 -0.56 0.00 0.00 56.30 55.97 3ig4 h ASN 164 Cb 0.62 0.15 0.01 0.00 -1.06 0.00 0.00 38.32 38.05 3ig4 h ASN 164 CO -0.53 0.02 -1.15 0.40 -1.06 0.00 0.00 177.43 175.11 3ig4 h ILE 165 N 0.30 1.40 -0.46 2.81 2.04 -0.93 -3.19 117.51 119.48 3ig4 h ILE 165 Ca 0.36 -2.69 0.04 0.00 1.00 0.00 0.00 64.86 63.57 3ig4 h ILE 165 Cb 0.55 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 3ig4 h ILE 165 CO -0.43 0.80 0.22 0.00 0.00 0.00 0.00 178.15 178.74 3ig4 h GLU 167 N 0.44 0.00 -0.30 0.00 4.57 -1.35 -1.22 114.58 116.71 3ig4 h GLU 167 Ca 0.20 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.26 3ig4 h GLU 167 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3ig4 h GLU 167 CO -0.15 0.07 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.40 3ig4 h LEU 168 N 0.00 0.77 -2.12 1.64 4.07 -1.14 -3.20 115.31 115.33 3ig4 h LEU 168 Ca -0.00 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.49 3ig4 h LEU 168 Cb 0.13 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 3ig4 h LEU 168 CO 0.01 1.07 -0.01 0.03 -1.08 0.00 0.00 178.44 178.45 3ig4 h ARG 169 N 0.47 0.00 -0.07 1.13 3.08 -0.06 -2.63 114.38 116.30 3ig4 h ARG 169 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3ig4 h ARG 169 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3ig4 h ARG 169 CO 0.07 0.01 -0.14 0.28 -1.07 0.00 0.00 179.97 179.12 3ig4 h VAL 170 N 0.00 1.14 -3.46 2.04 2.07 -1.41 -3.38 116.25 113.25 3ig4 h VAL 170 Ca -0.00 -0.65 -0.72 0.00 0.82 0.00 0.00 66.70 66.15 3ig4 h VAL 170 Cb 0.29 1.25 -0.26 0.00 -1.52 0.00 0.00 31.29 31.05 3ig4 h VAL 170 CO 0.00 0.19 -0.45 -0.36 0.02 0.00 0.00 177.57 176.98 3ig4 s PHE 171 N -4.71 3.29 0.27 1.57 0.08 -0.99 -4.38 117.98 113.11 3ig4 s PHE 171 Ca -0.05 -1.25 -0.23 0.00 0.12 0.00 0.00 56.93 55.53 3ig4 s PHE 171 Cb 0.16 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.66 3ig4 s PHE 171 CO 0.71 -0.78 0.83 0.15 -0.10 0.00 0.00 175.22 176.03 3ig4 s LYS 172 N 1.51 4.41 0.72 0.44 -0.14 -0.19 -5.02 119.74 121.47 3ig4 s LYS 172 Ca 0.03 1.10 -0.05 0.00 -1.36 0.00 0.00 55.97 55.68 3ig4 s LYS 172 Cb -0.22 -2.83 0.09 0.00 -1.68 0.00 0.00 37.83 33.19 3ig4 s LYS 172 CO 0.04 0.33 1.02 0.95 -0.76 0.00 0.00 175.35 176.93 3ig4 s THR 173 N -1.58 2.26 0.27 2.17 -4.23 -1.26 -4.75 115.64 108.53 3ig4 s THR 173 Ca 0.47 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 3ig4 s THR 173 Cb -0.17 -2.90 0.16 0.00 1.34 0.00 0.00 72.50 70.92 3ig4 s THR 173 CO 0.22 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.57 3ig4 h ASP 174 N -0.63 0.81 0.23 3.99 3.32 -1.99 -1.49 116.42 120.66 3ig4 h ASP 174 Ca -0.42 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.37 3ig4 h ASP 174 Cb 1.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3ig4 h ASP 174 CO 0.52 0.78 -0.45 1.05 -1.72 0.00 0.00 179.24 179.42 3ig4 h GLU 175 N 0.84 0.27 0.05 3.56 9.09 -2.00 -1.66 114.58 124.73 3ig4 h GLU 175 Ca 0.19 -0.14 -0.00 0.00 0.05 0.00 0.00 59.36 59.45 3ig4 h GLU 175 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3ig4 h GLU 175 CO -0.00 0.67 -0.03 0.93 0.05 0.00 0.00 179.01 180.63 3ig4 h GLU 176 N 0.22 -0.07 -0.90 1.06 5.08 -1.82 -2.85 114.58 115.30 3ig4 h GLU 176 Ca 0.02 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3ig4 h GLU 176 Cb 0.89 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3ig4 h GLU 176 CO 0.07 0.14 0.58 0.82 -1.00 0.00 0.00 179.01 179.62 3ig4 h ILE 177 N -0.27 0.93 -0.37 3.13 2.04 -1.12 -2.01 117.51 119.85 3ig4 h ILE 177 Ca -0.01 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3ig4 h ILE 177 Cb 0.24 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3ig4 h ILE 177 CO 0.01 0.16 0.17 -0.33 0.00 0.00 0.00 178.15 178.16 3ig4 h GLU 178 N 0.85 0.34 -0.43 2.37 4.39 -1.08 -0.74 114.58 120.29 3ig4 h GLU 178 Ca 0.43 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 3ig4 h GLU 178 Cb 0.49 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3ig4 h GLU 178 CO -0.19 0.23 0.20 0.82 -1.16 0.00 0.00 179.01 178.90 3ig4 h ILE 179 N 0.36 1.18 -0.78 3.13 2.04 -1.19 -0.91 117.51 121.34 3ig4 h ILE 179 Ca 0.16 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.56 3ig4 h ILE 179 Cb 0.08 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3ig4 h ILE 179 CO -0.12 0.20 0.45 0.40 0.00 0.00 0.00 178.15 179.08 3ig4 h ILE 180 N 0.55 0.94 -0.72 -0.67 2.04 -1.15 0.02 117.51 118.51 3ig4 h ILE 180 Ca 0.15 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ig4 h ILE 180 Cb 0.14 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 3ig4 h ILE 180 CO -0.02 0.14 0.41 0.11 0.00 0.00 0.00 178.15 178.80 3ig4 h LYS 181 N 0.78 0.73 -0.20 2.37 1.57 -0.06 -0.28 116.57 121.47 3ig4 h LYS 181 Ca 0.37 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3ig4 h LYS 181 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ig4 h LYS 181 CO -0.22 0.48 0.10 0.93 -0.57 0.00 0.00 179.45 180.17 3ig4 h GLU 182 N 0.75 0.29 -0.82 3.15 5.08 0.20 0.72 114.58 123.95 3ig4 h GLU 182 Ca 0.32 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.74 3ig4 h GLU 182 Cb 0.19 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3ig4 h GLU 182 CO -0.18 0.31 0.46 0.00 -1.00 0.00 0.00 179.01 178.59 3ig4 h ALA 183 N 0.96 1.17 -0.44 3.43 0.00 -0.31 -0.58 119.26 123.50 3ig4 h ALA 183 Ca 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ig4 h ALA 183 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ig4 h ALA 183 CO -0.01 0.06 0.12 0.82 0.00 0.00 0.00 179.25 180.25 3ig4 h ILE 184 N 0.76 1.23 -0.18 0.00 2.04 -0.69 -1.78 117.51 118.88 3ig4 h ILE 184 Ca 0.40 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3ig4 h ILE 184 Cb 0.39 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3ig4 h ILE 184 CO -0.26 0.27 -0.13 0.00 0.00 0.00 0.00 178.15 178.03 3ig4 h ALA 185 N 0.97 0.01 -0.82 1.87 0.00 0.68 0.35 119.26 122.32 3ig4 h ALA 185 Ca 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ig4 h ALA 185 Cb 0.29 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3ig4 h ALA 185 CO -0.00 -0.56 0.39 0.28 0.00 0.00 0.00 179.25 179.35 3ig4 h VAL 186 N -0.13 1.25 -0.40 0.00 2.07 -1.26 -2.05 116.25 115.72 3ig4 h VAL 186 Ca 0.11 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3ig4 h VAL 186 Cb 0.29 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3ig4 h VAL 186 CO -0.26 0.31 0.09 0.74 0.02 0.00 0.00 177.57 178.47 3ig4 h THR 187 N 1.16 0.81 -0.16 2.57 2.02 -0.39 0.26 112.91 119.19 3ig4 h THR 187 Ca 0.28 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.43 3ig4 h THR 187 Cb 0.12 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 3ig4 h THR 187 CO -0.03 0.04 -0.15 0.50 0.37 0.00 0.00 175.52 176.24 3ig4 h LYS 188 N 0.23 -0.17 -0.87 6.66 3.64 -0.43 0.12 116.57 125.74 3ig4 h LYS 188 Ca 0.19 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 3ig4 h LYS 188 Cb 0.22 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 3ig4 h LYS 188 CO -0.24 -0.11 0.48 -0.44 -2.27 0.00 0.00 179.45 176.87 3ig4 h ASP 189 N -0.18 0.64 -0.53 4.20 3.32 -0.68 0.93 116.42 124.13 3ig4 h ASP 189 Ca 0.10 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3ig4 h ASP 189 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3ig4 h ASP 189 CO -0.26 0.31 -0.01 1.23 -1.72 0.00 0.00 179.24 178.79 3ig4 h GLY 190 N 0.73 1.01 0.85 2.75 0.00 0.35 -0.27 103.07 108.50 3ig4 h GLY 190 Ca 0.45 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ig4 h GLY 190 CO -0.31 0.69 0.03 -2.22 0.00 0.00 0.00 176.54 174.74 3ig4 h ILE 191 N 0.81 1.16 -0.96 2.60 2.04 0.24 -1.62 117.51 121.77 3ig4 h ILE 191 Ca 0.15 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.62 3ig4 h ILE 191 Cb 0.55 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 3ig4 h ILE 191 CO 0.03 0.14 0.60 1.88 0.00 0.00 0.00 178.15 180.80 3ig4 h TYR 192 N -0.02 1.11 -0.99 1.37 0.05 -0.68 0.13 116.97 117.94 3ig4 h TYR 192 Ca 0.03 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.87 3ig4 h TYR 192 Cb 0.19 -0.36 -0.06 0.00 1.01 0.00 0.00 36.73 37.51 3ig4 h TYR 192 CO -0.01 0.53 0.65 -0.97 -1.05 0.00 0.00 178.16 177.31 3ig4 h ASN 193 N 1.05 1.09 -0.38 3.88 -0.00 -0.65 0.00 115.58 120.58 3ig4 h ASN 193 Ca 0.44 -0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 56.66 3ig4 h ASN 193 Cb 0.27 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 3ig4 h ASN 193 CO -0.21 0.76 0.01 0.58 -0.00 0.00 0.00 177.43 178.57 3ig4 h VAL 194 N 1.27 1.26 -0.95 2.57 2.07 0.13 -2.73 116.25 119.87 3ig4 h VAL 194 Ca 0.39 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.99 3ig4 h VAL 194 Cb -0.03 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3ig4 h VAL 194 CO -0.11 0.33 0.62 -0.07 0.02 0.00 0.00 177.57 178.35 3ig4 h LEU 195 N 0.49 0.99 -0.71 2.57 3.38 0.03 -1.51 115.31 120.54 3ig4 h LEU 195 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ig4 h LEU 195 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ig4 h LEU 195 CO 0.02 0.64 0.00 0.50 0.09 0.00 0.00 178.44 179.69 3ig4 h LYS 196 N 1.12 0.00 -0.00 1.13 3.64 -0.73 -3.25 116.57 118.48 3ig4 h LYS 196 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3ig4 h LYS 196 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3ig4 h LYS 196 CO -0.15 0.00 -0.02 0.72 -2.27 0.00 0.00 179.45 177.73 3ig4 n HIS 197 N -2.46 0.00 -2.59 1.91 8.25 -0.83 -3.54 115.22 115.96 3ig4 n HIS 197 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 3ig4 n HIS 197 Cb 0.29 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 3ig4 n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ig4 s ALA 198 N -0.50 3.37 0.24 -1.41 0.00 -0.63 -5.03 121.76 117.79 3ig4 s ALA 198 Ca 0.01 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 3ig4 s ALA 198 Cb 0.01 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3ig4 s ALA 198 CO 0.02 -0.04 0.50 -1.59 0.00 0.00 0.00 175.76 174.65 3ig4 s LYS 199 N -1.05 1.52 0.65 0.00 -2.85 -1.25 -4.88 119.74 111.88 3ig4 s LYS 199 Ca 0.44 -1.17 -0.13 0.00 -1.00 0.00 0.00 55.97 54.12 3ig4 s LYS 199 Cb -0.29 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 3ig4 s LYS 199 CO 0.36 -0.64 1.06 0.00 0.10 0.00 0.00 175.35 176.23 3ig4 s ALA 200 N -3.98 2.72 -0.52 0.59 0.00 -1.26 -4.90 121.76 114.40 3ig4 s ALA 200 Ca 0.19 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 3ig4 s ALA 200 Cb -0.01 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3ig4 s ALA 200 CO 0.07 -1.02 0.59 -0.25 0.00 0.00 0.00 175.76 175.14 3ig4 n ASP 201 N -2.64 -7.33 -0.05 0.00 8.00 0.32 -4.94 116.55 109.91 3ig4 n ASP 201 Ca 0.08 0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.72 3ig4 n ASP 201 Cb 0.53 -4.95 -0.04 0.00 -0.02 0.00 0.00 41.12 36.64 3ig4 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ig4 n GLU 204 N -0.97 0.23 0.22 -1.24 1.02 -0.33 -4.96 120.64 114.62 3ig4 n GLU 204 Ca 0.06 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.34 3ig4 n GLU 204 Cb 0.46 -1.06 0.51 0.00 -0.02 0.00 0.00 31.44 31.33 3ig4 n GLU 204 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3ig4 h TYR 205 N -0.16 0.00 -0.53 -0.32 -0.00 -1.57 -1.66 116.97 112.73 3ig4 h TYR 205 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.55 3ig4 h TYR 205 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.99 3ig4 h TYR 205 CO -0.01 0.24 0.35 0.93 -0.00 0.00 0.00 178.16 179.68 3ig4 h GLU 206 N 0.00 0.49 0.05 0.10 5.08 -1.97 0.66 114.58 118.99 3ig4 h GLU 206 Ca -0.00 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 3ig4 h GLU 206 Cb 0.50 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.66 3ig4 h GLU 206 CO 0.03 0.32 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.52 3ig4 h LEU 207 N 0.50 0.59 -1.47 1.33 3.38 -1.73 -3.23 115.31 114.69 3ig4 h LEU 207 Ca 0.23 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 57.46 3ig4 h LEU 207 Cb 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ig4 h LEU 207 CO -0.06 1.34 0.45 -0.08 0.09 0.00 0.00 178.44 180.18 3ig4 h GLU 208 N -0.08 0.60 -0.98 1.13 4.81 -0.92 -1.11 114.58 118.04 3ig4 h GLU 208 Ca -0.11 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3ig4 h GLU 208 Cb 1.50 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 3ig4 h GLU 208 CO 0.15 0.40 0.64 0.00 -0.73 0.00 0.00 179.01 179.47 3ig4 h ALA 209 N 1.64 1.26 -0.72 2.92 0.00 -0.91 0.49 119.26 123.95 3ig4 h ALA 209 Ca 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3ig4 h ALA 209 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ig4 h ALA 209 CO -0.10 0.58 0.31 1.96 0.00 0.00 0.00 179.25 182.00 3ig4 h GLN 210 N 1.28 1.07 -0.27 0.00 1.08 -1.23 0.04 115.11 117.08 3ig4 h GLN 210 Ca 0.37 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 3ig4 h GLN 210 Cb -0.08 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 3ig4 h GLN 210 CO -0.10 0.86 -0.12 0.35 -0.95 0.00 0.00 178.83 178.88 3ig4 h PHE 211 N 1.03 0.64 -0.68 2.96 3.57 -1.02 -2.78 116.94 120.65 3ig4 h PHE 211 Ca 0.24 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3ig4 h PHE 211 Cb 0.18 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3ig4 h PHE 211 CO 0.01 0.80 0.43 -0.44 -2.23 0.00 0.00 178.31 176.88 3ig4 h ASP 212 N 0.29 0.71 -0.20 0.41 3.32 -0.78 -2.74 116.42 117.43 3ig4 h ASP 212 Ca 0.06 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.15 3ig4 h ASP 212 Cb 0.62 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3ig4 h ASP 212 CO 0.04 0.49 -0.05 0.15 -1.72 0.00 0.00 179.24 178.15 3ig4 h PHE 213 N 0.84 -0.10 -0.14 4.55 3.57 -0.87 0.14 116.94 124.93 3ig4 h PHE 213 Ca 0.27 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3ig4 h PHE 213 Cb 0.00 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3ig4 h PHE 213 CO -0.04 -0.08 -0.01 1.15 -2.23 0.00 0.00 178.31 177.09 3ig4 h THR 214 N 0.00 0.89 -0.29 4.41 2.02 -1.32 -0.77 112.91 117.85 3ig4 h THR 214 Ca 0.10 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3ig4 h THR 214 Cb 0.15 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3ig4 h THR 214 CO -0.20 0.01 0.12 -0.07 0.37 0.00 0.00 175.52 175.74 3ig4 h LEU 215 N 0.03 0.15 -0.59 2.58 4.07 -1.15 -2.69 115.31 117.70 3ig4 h LEU 215 Ca 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 3ig4 h LEU 215 Cb 0.09 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 3ig4 h LEU 215 CO -0.12 0.12 0.20 0.50 -1.08 0.00 0.00 178.44 178.06 3ig4 h LYS 216 N 0.26 0.92 -0.00 1.13 1.63 -0.32 -2.24 116.57 117.94 3ig4 h LYS 216 Ca 0.12 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3ig4 h LYS 216 Cb 0.07 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3ig4 h LYS 216 CO -0.11 0.81 -0.01 -1.13 -3.45 0.00 0.00 179.45 175.56 3ig4 n SER 217 N -4.42 0.05 -0.90 4.20 3.41 -0.33 -2.02 113.62 113.61 3ig4 n SER 217 Ca 0.03 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.23 3ig4 n SER 217 Cb 0.20 -0.16 0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3ig4 n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ig4 n SER 218 N -1.13 2.88 0.00 4.04 7.64 -1.00 -4.97 113.62 121.09 3ig4 n SER 218 Ca 0.18 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.15 3ig4 n SER 218 Cb 0.19 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3ig4 n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ig4 n GLY 219 N 1.24 0.54 3.64 0.23 0.00 -0.86 -5.04 105.19 104.94 3ig4 n GLY 219 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3ig4 n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 220 N -2.13 3.96 -0.03 -0.61 1.09 -0.88 -4.91 121.20 117.70 3ig4 s ILE 220 Ca 0.00 1.11 0.12 0.00 -1.10 0.00 0.00 60.65 60.78 3ig4 s ILE 220 Cb 0.00 -3.90 -0.14 0.00 -1.06 0.00 0.00 42.46 37.36 3ig4 s ILE 220 CO 0.00 -0.30 1.06 0.11 -0.10 0.00 0.00 174.94 175.71 3ig4 h LYS 221 N 9.60 0.00 -4.89 2.79 1.57 -1.86 -3.38 116.57 120.40 3ig4 h LYS 221 Ca -0.30 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.17 3ig4 h LYS 221 Cb 1.13 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.25 3ig4 h LYS 221 CO 1.00 0.62 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.76 3ig4 s HIS 222 N -2.78 0.99 0.30 -1.35 3.76 -1.26 -5.10 115.29 109.85 3ig4 s HIS 222 Ca -0.01 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.17 3ig4 s HIS 222 Cb 0.09 -0.55 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 3ig4 s HIS 222 CO 0.80 -0.03 0.61 -1.01 -0.85 0.00 0.00 174.74 174.27 3ig4 s HIS 223 N -2.34 3.45 0.25 1.40 3.76 -1.26 -2.00 115.29 118.54 3ig4 s HIS 223 Ca 0.03 0.84 -0.05 0.00 -0.15 0.00 0.00 55.06 55.73 3ig4 s HIS 223 Cb -0.03 -2.25 0.35 0.00 1.11 0.00 0.00 32.58 31.75 3ig4 s HIS 223 CO -0.00 0.13 1.86 0.00 -0.85 0.00 0.00 174.74 175.88 3ig4 h ALA 224 N 1.86 1.24 -2.55 -1.40 0.00 -0.87 -3.43 119.26 114.11 3ig4 h ALA 224 Ca -0.47 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3ig4 h ALA 224 Cb 1.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ig4 h ALA 224 CO 0.66 0.34 0.39 1.97 0.00 0.00 0.00 179.25 182.62 3ig4 n PHE 225 N -4.58 -1.57 -2.33 0.00 -1.74 -1.26 -4.76 117.46 101.22 3ig4 n PHE 225 Ca 0.13 -1.24 -0.43 0.00 -0.56 0.00 0.00 57.45 55.36 3ig4 n PHE 225 Cb 0.17 0.61 -0.02 0.00 1.52 0.00 0.00 39.48 41.75 3ig4 n PHE 225 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3ig4 s ASN 226 N -2.90 6.51 -0.11 5.98 -0.87 -1.26 -4.77 114.94 117.52 3ig4 s ASN 226 Ca 0.17 1.19 -0.40 0.00 -1.57 0.00 0.00 52.86 52.25 3ig4 s ASN 226 Cb -0.03 -2.54 -0.18 0.00 -0.02 0.00 0.00 41.25 38.48 3ig4 s ASN 226 CO 0.07 -1.22 1.34 0.41 -2.57 0.00 0.00 177.10 175.12 3ig4 n THR 227 N 6.50 0.04 -3.73 1.60 -1.04 -1.26 -4.91 114.28 111.49 3ig4 n THR 227 Ca 0.16 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.80 3ig4 n THR 227 Cb 0.47 -0.49 -0.12 0.00 -1.82 0.00 0.00 70.33 68.36 3ig4 n THR 227 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ig4 s ILE 228 N 1.20 4.52 -0.55 12.58 1.01 -0.10 -4.81 121.20 135.05 3ig4 s ILE 228 Ca 0.93 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.52 3ig4 s ILE 228 Cb -1.20 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 38.32 3ig4 s ILE 228 CO 0.60 0.32 0.43 -0.11 0.00 0.00 0.00 174.94 176.18 3ig4 n LEU 229 N 4.92 1.26 -4.46 2.97 0.00 -1.26 -1.72 117.00 118.72 3ig4 n LEU 229 Ca -0.16 -4.80 -0.36 0.00 0.00 0.00 0.00 56.01 50.70 3ig4 n LEU 229 Cb 0.52 -0.08 -0.12 0.00 0.00 0.00 0.00 43.42 43.73 3ig4 n LEU 229 CO 0.31 1.82 -0.30 0.00 0.00 0.00 0.00 177.39 179.23 3ig4 s ALA 230 N -0.75 3.12 0.31 1.96 0.00 -0.73 -4.68 121.76 121.00 3ig4 s ALA 230 Ca 0.29 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3ig4 s ALA 230 Cb 0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3ig4 s ALA 230 CO -0.18 -0.32 0.33 -1.54 0.00 0.00 0.00 175.76 174.05 3ig4 s SER 231 N 1.31 5.58 0.21 0.00 1.04 -1.26 -0.31 113.70 120.27 3ig4 s SER 231 Ca 0.05 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3ig4 s SER 231 Cb -0.15 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.80 3ig4 s SER 231 CO 0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3ig4 n GLY 232 N -1.41 2.41 0.16 7.32 0.00 -0.65 -1.26 105.19 111.76 3ig4 n GLY 232 Ca -0.03 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3ig4 n GLY 232 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ig4 h LYS 233 N 0.00 0.00 -0.28 1.61 3.64 -1.92 -3.09 116.57 116.54 3ig4 h LYS 233 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3ig4 h LYS 233 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ig4 h LYS 233 CO 0.00 0.50 0.20 -0.91 -2.27 0.00 0.00 179.45 176.96 3ig4 h ASN 234 N 0.00 0.01 0.07 4.20 -0.26 -1.51 -1.30 115.58 116.79 3ig4 h ASN 234 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ig4 h ASN 234 Cb 0.95 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 3ig4 h ASN 234 CO 0.06 0.01 0.00 0.00 -1.06 0.00 0.00 177.43 176.44 3ig4 n ALA 235 N -2.59 1.10 0.13 -0.83 0.00 -1.17 -1.26 120.51 115.89 3ig4 n ALA 235 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ig4 n ALA 235 Cb 0.35 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 18.87 3ig4 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ig4 h THR 236 N 0.00 1.25 -3.58 0.00 2.02 -1.47 -3.42 112.91 107.72 3ig4 h THR 236 Ca 0.00 -2.34 -0.60 0.00 0.77 0.00 0.00 66.41 64.24 3ig4 h THR 236 Cb 0.04 2.33 -0.10 0.00 -1.74 0.00 0.00 68.15 68.68 3ig4 h THR 236 CO 0.00 0.62 0.53 -0.69 0.37 0.00 0.00 175.52 176.35 3ig4 s VAL 237 N -3.24 4.58 0.25 3.16 1.01 -0.39 -4.96 120.40 120.81 3ig4 s VAL 237 Ca 0.01 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 3ig4 s VAL 237 Cb 0.10 -4.35 0.22 0.00 0.00 0.00 0.00 36.38 32.36 3ig4 s VAL 237 CO 0.75 -0.64 1.74 -0.07 0.00 0.00 0.00 175.10 176.88 3ig4 h LEU 238 N 10.20 0.36 -3.46 3.92 4.07 -1.86 -1.69 115.31 126.85 3ig4 h LEU 238 Ca -0.24 0.10 -0.29 0.00 0.08 0.00 0.00 57.88 57.53 3ig4 h LEU 238 Cb 1.08 0.05 -0.18 0.00 1.08 0.00 0.00 40.66 42.69 3ig4 h LEU 238 CO 0.98 0.15 -0.20 1.41 -1.08 0.00 0.00 178.44 179.70 3ig4 n HIS 239 N -4.95 1.52 -1.69 1.13 8.25 -1.26 -5.04 115.22 113.18 3ig4 n HIS 239 Ca 0.15 -1.86 -0.60 0.00 -0.26 0.00 0.00 57.72 55.14 3ig4 n HIS 239 Cb 0.40 -0.53 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 3ig4 n HIS 239 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3ig4 n TYR 240 N -1.02 1.77 0.00 4.41 9.36 -0.64 -4.84 117.16 126.19 3ig4 n TYR 240 Ca 0.37 0.77 0.00 0.00 3.32 0.00 0.00 57.90 62.36 3ig4 n TYR 240 Cb 0.95 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 37.32 3ig4 n TYR 240 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3ig4 n GLU 241 N 4.24 4.85 -0.19 2.98 1.02 -1.26 -4.32 120.64 127.95 3ig4 n GLU 241 Ca 0.26 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3ig4 n GLU 241 Cb 0.08 -0.38 0.10 0.00 -0.02 0.00 0.00 31.44 31.22 3ig4 n GLU 241 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ig4 h ASP 242 N 0.00 0.04 -5.19 1.62 3.32 -1.92 -3.46 116.42 110.83 3ig4 h ASP 242 Ca 0.00 0.10 -0.39 0.00 0.02 0.00 0.00 57.03 56.76 3ig4 h ASP 242 Cb 0.00 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3ig4 h ASP 242 CO 0.00 0.03 -0.59 0.59 -1.72 0.00 0.00 179.24 177.56 3ig4 n ASN 243 N -5.10 -4.60 -0.37 6.45 3.02 -1.26 -4.85 115.26 108.54 3ig4 n ASN 243 Ca 0.08 -0.38 0.05 0.00 -0.03 0.00 0.00 54.58 54.30 3ig4 n ASN 243 Cb 0.30 -3.76 0.08 0.00 -0.61 0.00 0.00 39.78 35.78 3ig4 n ASN 243 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ig4 n ASP 244 N -2.41 1.20 -4.97 6.41 5.68 -1.26 -1.59 116.55 119.62 3ig4 n ASP 244 Ca -0.04 -2.60 -0.21 0.00 -0.50 0.00 0.00 54.79 51.44 3ig4 n ASP 244 Cb 0.57 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 3ig4 n ASP 244 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ig4 s ALA 245 N -1.47 3.93 0.07 2.12 0.00 -1.26 -4.83 121.76 120.32 3ig4 s ALA 245 Ca 0.18 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 3ig4 s ALA 245 Cb 0.17 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 3ig4 s ALA 245 CO 0.00 0.20 0.74 -1.14 0.00 0.00 0.00 175.76 175.57 3ig4 s GLN 246 N -4.02 4.48 -0.19 0.00 0.74 -1.26 -1.19 119.66 118.22 3ig4 s GLN 246 Ca 0.35 1.04 -0.29 0.00 0.05 0.00 0.00 55.36 56.51 3ig4 s GLN 246 Cb -0.09 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.69 3ig4 s GLN 246 CO 0.30 0.37 1.11 0.42 -0.55 0.00 0.00 175.29 176.94 3ig4 s ILE 247 N -0.36 4.56 0.16 -2.34 1.01 -1.26 -4.93 121.20 118.04 3ig4 s ILE 247 Ca 0.37 1.87 -0.19 0.00 0.00 0.00 0.00 60.65 62.71 3ig4 s ILE 247 Cb -0.21 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 3ig4 s ILE 247 CO 0.23 -0.14 0.64 -1.10 0.00 0.00 0.00 174.94 174.57 3ig4 s GLN 248 N 3.11 4.20 0.11 2.79 -1.52 -1.26 -0.52 119.66 126.57 3ig4 s GLN 248 Ca 0.48 0.76 -0.34 0.00 -1.95 0.00 0.00 55.36 54.32 3ig4 s GLN 248 Cb -0.18 -3.02 -0.13 0.00 -0.22 0.00 0.00 33.01 29.46 3ig4 s GLN 248 CO 0.10 0.50 1.67 -1.71 -0.25 0.00 0.00 175.29 175.60 3ig4 n ASN 249 N 1.07 3.33 0.00 5.90 2.85 -1.26 -0.62 115.26 126.53 3ig4 n ASN 249 Ca -0.05 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 3ig4 n ASN 249 Cb 0.51 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.09 3ig4 n ASN 249 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ig4 n GLY 250 N 3.72 0.70 3.77 8.20 0.00 -1.26 -5.07 105.19 115.26 3ig4 n GLY 250 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3ig4 n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ig4 s ASP 251 N -1.85 5.93 0.08 1.61 1.01 0.21 -4.93 116.67 118.73 3ig4 s ASP 251 Ca 0.00 2.20 -0.02 0.00 0.71 0.00 0.00 52.55 55.44 3ig4 s ASP 251 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3ig4 s ASP 251 CO 0.00 -1.08 0.27 -0.22 0.21 0.00 0.00 175.17 174.35 3ig4 s LEU 252 N -3.50 4.33 -0.09 1.23 2.96 -1.26 -1.88 118.68 120.47 3ig4 s LEU 252 Ca 0.69 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 3ig4 s LEU 252 Cb -0.25 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.41 3ig4 s LEU 252 CO 0.29 0.14 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.54 3ig4 s VAL 253 N -1.53 2.03 -0.27 1.68 1.01 0.15 -1.64 120.40 121.83 3ig4 s VAL 253 Ca 0.36 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3ig4 s VAL 253 Cb -0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3ig4 s VAL 253 CO 0.25 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.78 3ig4 s LEU 254 N 0.26 3.67 -0.17 3.92 0.20 0.58 -1.40 118.68 125.75 3ig4 s LEU 254 Ca -0.16 -0.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.23 3ig4 s LEU 254 Cb -0.17 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 3ig4 s LEU 254 CO 0.08 -0.10 0.08 -0.76 -0.29 0.00 0.00 176.35 175.36 3ig4 s LEU 255 N 1.60 3.93 -0.19 -0.68 1.43 0.40 -1.78 118.68 123.39 3ig4 s LEU 255 Ca 0.05 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3ig4 s LEU 255 Cb -0.16 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.14 3ig4 s LEU 255 CO 0.04 0.23 0.08 -0.62 0.23 0.00 0.00 176.35 176.31 3ig4 s ASP 256 N 0.07 2.59 0.29 2.29 -1.08 -0.70 0.62 116.67 120.75 3ig4 s ASP 256 Ca 0.06 -0.73 -0.19 0.00 -0.52 0.00 0.00 52.55 51.17 3ig4 s ASP 256 Cb -0.12 -0.34 0.06 0.00 -1.46 0.00 0.00 42.92 41.05 3ig4 s ASP 256 CO 0.00 -0.35 0.86 -1.48 0.52 0.00 0.00 175.17 174.72 3ig4 s LEU 257 N 2.06 -0.06 0.00 -1.34 0.05 -0.61 -0.92 118.68 117.85 3ig4 s LEU 257 Ca 0.02 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.35 3ig4 s LEU 257 Cb -0.16 2.57 0.00 0.00 -2.05 0.00 0.00 46.19 46.54 3ig4 s LEU 257 CO -0.11 -1.37 0.00 0.61 -0.55 0.00 0.00 176.35 174.92 3ig4 n GLY 258 N -0.55 1.28 3.88 -3.48 0.00 -1.26 -1.32 105.19 103.73 3ig4 n GLY 258 Ca -0.06 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3ig4 n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig4 s ALA 259 N -1.20 3.24 -0.13 4.61 0.00 -1.26 -0.34 121.76 126.68 3ig4 s ALA 259 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.80 3ig4 s ALA 259 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.28 3ig4 s ALA 259 CO 0.00 -0.32 -0.18 -1.14 0.00 0.00 0.00 175.76 174.13 3ig4 s GLN 260 N -4.47 2.55 -0.20 0.00 0.74 -0.85 -1.75 119.66 115.69 3ig4 s GLN 260 Ca 0.53 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 55.23 3ig4 s GLN 260 Cb -0.10 -2.16 -0.01 0.00 1.10 0.00 0.00 33.01 31.84 3ig4 s GLN 260 CO 0.41 -0.09 -0.06 0.21 -0.55 0.00 0.00 175.29 175.21 3ig4 s LYS 261 N 1.04 3.37 -1.66 1.67 2.47 -0.03 -4.45 119.74 122.15 3ig4 s LYS 261 Ca -0.04 -0.64 -0.17 0.00 -1.56 0.00 0.00 55.97 53.57 3ig4 s LYS 261 Cb -0.15 -2.93 0.14 0.00 -1.46 0.00 0.00 37.83 33.43 3ig4 s LYS 261 CO -0.04 -0.12 0.79 -0.25 0.16 0.00 0.00 175.35 175.88 3ig4 n ASP 262 N 4.55 -3.28 0.00 1.43 8.00 -1.26 -0.62 116.55 125.37 3ig4 n ASP 262 Ca -0.18 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3ig4 n ASP 262 Cb 0.51 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 3ig4 n ASP 262 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ig4 n TYR 263 N -4.43 0.00 -3.04 1.24 4.01 -1.26 -5.02 117.16 108.66 3ig4 n TYR 263 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.45 3ig4 n TYR 263 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.48 3ig4 n TYR 263 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3ig4 s TYR 264 N -2.61 3.43 -0.05 -0.72 1.51 0.20 -4.47 117.35 114.65 3ig4 s TYR 264 Ca 0.00 1.37 0.05 0.00 -1.01 0.00 0.00 57.07 57.47 3ig4 s TYR 264 Cb 0.00 -2.64 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 3ig4 s TYR 264 CO 0.00 0.11 -0.19 -0.80 -1.11 0.00 0.00 175.55 173.56 3ig4 s ASN 265 N -2.09 3.65 0.40 2.29 0.01 -0.77 -0.85 114.94 117.58 3ig4 s ASN 265 Ca 0.53 -0.32 0.03 0.00 -0.71 0.00 0.00 52.86 52.40 3ig4 s ASN 265 Cb -0.12 -0.78 -0.00 0.00 0.41 0.00 0.00 41.25 40.76 3ig4 s ASN 265 CO 0.18 0.31 0.58 0.00 -1.51 0.00 0.00 177.10 176.66 3ig4 s ALA 266 N -0.54 3.98 -0.29 0.60 0.00 -0.72 -4.58 121.76 120.22 3ig4 s ALA 266 Ca 0.07 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3ig4 s ALA 266 Cb -0.11 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.26 3ig4 s ALA 266 CO 0.01 -0.24 0.52 0.34 0.00 0.00 0.00 175.76 176.40 3ig4 s ASP 267 N -4.20 -0.85 -0.03 0.00 2.15 -1.26 -4.44 116.67 108.02 3ig4 s ASP 267 Ca 0.47 0.17 0.05 0.00 0.43 0.00 0.00 52.55 53.67 3ig4 s ASP 267 Cb -0.10 1.72 -0.01 0.00 -0.30 0.00 0.00 42.92 44.23 3ig4 s ASP 267 CO 0.35 -0.31 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.23 3ig4 s ILE 268 N 2.73 1.46 -0.12 4.11 -1.09 -0.43 -4.57 121.20 123.29 3ig4 s ILE 268 Ca 0.12 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 3ig4 s ILE 268 Cb -0.12 -1.24 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 3ig4 s ILE 268 CO -0.25 0.42 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.27 3ig4 s SER 269 N -0.17 3.74 -0.02 3.58 0.01 -1.22 -1.58 113.70 118.04 3ig4 s SER 269 Ca 0.01 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.88 3ig4 s SER 269 Cb -0.10 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.60 3ig4 s SER 269 CO 0.01 0.16 -0.02 -0.47 0.41 0.00 0.00 173.24 173.33 3ig4 s TYR 270 N 0.38 0.35 -0.02 2.43 6.14 0.20 -1.66 117.35 125.17 3ig4 s TYR 270 Ca -0.13 -0.04 0.06 0.00 0.64 0.00 0.00 57.07 57.60 3ig4 s TYR 270 Cb -0.16 -0.36 -0.01 0.00 0.42 0.00 0.00 41.96 41.85 3ig4 s TYR 270 CO 0.06 -0.09 -0.20 0.99 0.64 0.00 0.00 175.55 176.96 3ig4 s THR 271 N 0.61 1.55 0.25 4.34 2.01 -1.25 0.15 115.64 123.29 3ig4 s THR 271 Ca -0.06 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 3ig4 s THR 271 Cb -0.09 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3ig4 s THR 271 CO -0.01 0.44 0.43 0.72 -0.69 0.00 0.00 174.62 175.51 3ig4 s PHE 272 N -0.40 0.52 -0.10 4.92 -0.12 -0.49 -4.98 117.98 117.33 3ig4 s PHE 272 Ca 0.06 -0.85 -0.17 0.00 -0.05 0.00 0.00 56.93 55.92 3ig4 s PHE 272 Cb -0.08 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.33 3ig4 s PHE 272 CO -0.00 -0.95 0.45 -1.25 -0.05 0.00 0.00 175.22 173.41 3ig4 s PRO 273 N -3.98 4.26 0.22 1.99 0.04 -1.26 0.30 135.00 136.58 3ig4 s PRO 273 Ca 0.25 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.63 3ig4 s PRO 273 Cb 0.00 -3.39 0.27 0.00 0.04 0.00 0.00 34.50 31.42 3ig4 s PRO 273 CO 0.10 0.27 1.83 0.00 0.04 0.00 0.00 177.00 179.24 3ig4 h ALA 274 N 6.33 1.02 -0.15 8.56 0.00 -1.70 -2.27 119.26 131.05 3ig4 h ALA 274 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ig4 h ALA 274 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ig4 h ALA 274 CO 0.73 0.18 0.00 0.27 0.00 0.00 0.00 179.25 180.43 3ig4 n ASN 275 N -4.69 1.20 0.00 0.00 0.23 -1.26 -3.95 115.26 106.79 3ig4 n ASN 275 Ca 0.10 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 3ig4 n ASN 275 Cb 0.16 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3ig4 n ASN 275 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ig4 n GLY 276 N 1.00 0.79 2.86 4.83 0.00 -0.85 -4.97 105.19 108.84 3ig4 n GLY 276 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3ig4 n GLY 276 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig4 s THR 277 N -3.04 0.64 0.13 2.61 2.01 -1.26 -4.58 115.64 112.14 3ig4 s THR 277 Ca 0.00 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 3ig4 s THR 277 Cb 0.00 -0.71 -0.07 0.00 0.01 0.00 0.00 72.50 71.73 3ig4 s THR 277 CO 0.00 0.29 1.25 -0.36 -0.69 0.00 0.00 174.62 175.10 3ig4 s PHE 278 N 1.51 3.38 0.90 4.92 0.08 -1.26 -4.82 117.98 122.69 3ig4 s PHE 278 Ca -0.01 1.26 -0.12 0.00 0.12 0.00 0.00 56.93 58.18 3ig4 s PHE 278 Cb -0.13 -3.50 0.13 0.00 -0.57 0.00 0.00 43.02 38.95 3ig4 s PHE 278 CO -0.04 -1.54 1.10 -1.54 -0.10 0.00 0.00 175.22 173.10 3ig4 s SER 279 N 0.70 3.48 0.17 1.36 1.04 -1.26 -4.75 113.70 114.43 3ig4 s SER 279 Ca 0.58 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.23 3ig4 s SER 279 Cb -0.33 -2.05 0.11 0.00 0.10 0.00 0.00 66.02 63.85 3ig4 s SER 279 CO 0.33 -2.62 1.74 0.28 0.98 0.00 0.00 173.24 173.95 3ig4 h SER 280 N -1.54 0.12 -0.55 7.02 0.02 -1.99 0.18 113.55 116.82 3ig4 h SER 280 Ca -0.50 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 3ig4 h SER 280 Cb 1.29 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 3ig4 h SER 280 CO 0.56 0.10 0.05 -0.09 -1.14 0.00 0.00 176.83 176.32 3ig4 h ARG 281 N 0.29 0.94 -0.47 3.45 9.65 -2.00 -1.54 114.38 124.70 3ig4 h ARG 281 Ca 0.20 -0.27 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 3ig4 h ARG 281 Cb 0.20 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 3ig4 h ARG 281 CO -0.21 0.92 -0.06 1.96 2.80 0.00 0.00 179.97 185.38 3ig4 h GLN 282 N 0.82 0.87 -0.92 0.20 4.20 -1.84 -2.33 115.11 116.11 3ig4 h GLN 282 Ca 0.16 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.61 3ig4 h GLN 282 Cb 0.47 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3ig4 h GLN 282 CO 0.02 0.94 0.60 -0.22 -0.67 0.00 0.00 178.83 179.50 3ig4 h LYS 283 N 0.72 1.10 0.82 1.46 3.64 -0.37 0.23 116.57 124.17 3ig4 h LYS 283 Ca 0.13 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3ig4 h LYS 283 Cb 0.59 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3ig4 h LYS 283 CO 0.04 0.73 -0.44 1.96 -2.27 0.00 0.00 179.45 179.47 3ig4 h GLN 284 N 1.13 -1.12 -0.65 1.90 4.20 -0.97 -2.13 115.11 117.48 3ig4 h GLN 284 Ca 0.38 0.08 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 3ig4 h GLN 284 Cb 0.05 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3ig4 h GLN 284 CO -0.14 -0.75 0.37 0.82 -0.67 0.00 0.00 178.83 178.47 3ig4 h ILE 285 N -1.16 1.20 -0.28 2.54 1.08 -1.25 -2.37 117.51 117.27 3ig4 h ILE 285 Ca -0.11 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 63.93 3ig4 h ILE 285 Cb 0.91 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 3ig4 h ILE 285 CO 0.16 0.21 -0.02 0.22 -0.69 0.00 0.00 178.15 178.03 3ig4 h TYR 286 N 0.88 -0.05 -0.58 1.37 5.03 -0.92 -1.94 116.97 120.75 3ig4 h TYR 286 Ca 0.23 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 3ig4 h TYR 286 Cb 0.01 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3ig4 h TYR 286 CO -0.01 -0.07 0.18 -0.91 -1.32 0.00 0.00 178.16 176.03 3ig4 h ASN 287 N 0.06 0.81 -0.29 -2.11 2.35 -1.09 0.13 115.58 115.44 3ig4 h ASN 287 Ca 0.13 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3ig4 h ASN 287 Cb 0.19 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3ig4 h ASN 287 CO -0.24 0.76 0.00 0.40 -1.65 0.00 0.00 177.43 176.71 3ig4 h ILE 288 N 0.85 0.80 0.01 2.81 2.04 -0.95 0.21 117.51 123.28 3ig4 h ILE 288 Ca 0.19 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 3ig4 h ILE 288 Cb 0.25 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3ig4 h ILE 288 CO -0.01 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.73 3ig4 h VAL 289 N 0.09 1.09 -0.77 1.67 2.07 -0.55 -2.09 116.25 117.76 3ig4 h VAL 289 Ca 0.14 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3ig4 h VAL 289 Cb 0.18 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3ig4 h VAL 289 CO -0.23 0.08 0.51 0.25 0.02 0.00 0.00 177.57 178.20 3ig4 h LEU 290 N -0.15 0.77 0.20 2.57 5.85 -0.55 -0.75 115.31 123.24 3ig4 h LEU 290 Ca -0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ig4 h LEU 290 Cb 0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3ig4 h LEU 290 CO 0.00 0.51 -0.23 0.78 -0.34 0.00 0.00 178.44 179.17 3ig4 h ASN 291 N 0.88 -0.62 -0.91 1.25 2.35 -0.37 -1.45 115.58 116.72 3ig4 h ASN 291 Ca 0.32 0.06 0.18 0.00 -0.55 0.00 0.00 56.30 56.31 3ig4 h ASN 291 Cb 0.15 0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 3ig4 h ASN 291 CO -0.10 -0.33 0.59 0.00 -1.65 0.00 0.00 177.43 175.93 3ig4 h ALA 292 N 0.24 1.98 0.32 -0.83 0.00 -0.53 0.16 119.26 120.59 3ig4 h ALA 292 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ig4 h ALA 292 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ig4 h ALA 292 CO -0.07 -0.25 -0.15 1.25 0.00 0.00 0.00 179.25 180.02 3ig4 h LEU 293 N 0.57 -0.36 0.27 0.00 5.85 -0.73 -1.25 115.31 119.67 3ig4 h LEU 293 Ca 0.47 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 3ig4 h LEU 293 Cb 0.94 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ig4 h LEU 293 CO -0.21 -0.14 -0.13 0.11 -0.34 0.00 0.00 178.44 177.73 3ig4 h LYS 294 N -0.57 -0.35 -0.36 1.25 1.57 -0.04 -0.83 116.57 117.23 3ig4 h LYS 294 Ca -0.04 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3ig4 h LYS 294 Cb 0.42 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3ig4 h LYS 294 CO 0.07 -0.23 -0.03 0.93 -0.57 0.00 0.00 179.45 179.62 3ig4 h GLU 295 N -0.38 0.06 -0.30 3.15 4.39 -0.83 0.45 114.58 121.13 3ig4 h GLU 295 Ca -0.04 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 3ig4 h GLU 295 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3ig4 h GLU 295 CO 0.06 0.04 -0.28 1.15 -1.16 0.00 0.00 179.01 178.82 3ig4 h THR 296 N 0.06 1.30 -0.80 1.13 2.02 -1.15 -2.68 112.91 112.78 3ig4 h THR 296 Ca 0.18 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.93 3ig4 h THR 296 Cb 0.25 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3ig4 h THR 296 CO -0.32 0.47 0.53 0.74 0.37 0.00 0.00 175.52 177.30 3ig4 h THR 297 N 0.48 1.16 -0.72 3.16 2.02 -0.92 -2.94 112.91 115.15 3ig4 h THR 297 Ca 0.05 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.98 3ig4 h THR 297 Cb 0.85 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 3ig4 h THR 297 CO 0.07 0.19 0.35 -0.08 0.37 0.00 0.00 175.52 176.42 3ig4 h GLU 298 N 1.03 0.57 -0.00 6.66 4.57 -0.56 -2.51 114.58 124.34 3ig4 h GLU 298 Ca 0.31 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3ig4 h GLU 298 Cb -0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3ig4 h GLU 298 CO -0.08 0.37 -0.01 0.44 -1.18 0.00 0.00 179.01 178.56 3ig4 n ILE 299 N -4.88 0.00 -2.11 2.32 -5.35 -1.11 -4.85 119.36 103.39 3ig4 n ILE 299 Ca 0.12 -0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 62.17 3ig4 n ILE 299 Cb 0.30 -0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 3ig4 n ILE 299 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ig4 s ILE 300 N -2.29 3.44 -0.19 7.28 1.01 -0.95 -4.94 121.20 124.57 3ig4 s ILE 300 Ca 0.38 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 3ig4 s ILE 300 Cb 0.21 -3.55 0.15 0.00 0.01 0.00 0.00 42.46 39.28 3ig4 s ILE 300 CO 0.42 -0.00 1.15 -1.59 0.00 0.00 0.00 174.94 174.91 3ig4 s LYS 301 N 2.50 0.38 0.30 2.79 -2.85 -1.26 -3.84 119.74 117.76 3ig4 s LYS 301 Ca 0.68 0.00 -0.27 0.00 -1.00 0.00 0.00 55.97 55.38 3ig4 s LYS 301 Cb -0.35 0.18 -0.14 0.00 -2.06 0.00 0.00 37.83 35.46 3ig4 s LYS 301 CO 0.29 -0.14 0.88 -2.30 0.10 0.00 0.00 175.35 174.18 3ig4 n PRO 302 N 0.38 1.06 0.00 1.78 -0.02 -1.26 -1.71 135.00 135.23 3ig4 n PRO 302 Ca -0.04 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3ig4 n PRO 302 Cb 0.59 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3ig4 n PRO 302 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig4 n GLY 303 N 1.40 3.15 3.69 -1.23 0.00 -0.75 -4.99 105.19 106.46 3ig4 n GLY 303 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3ig4 n GLY 303 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ig4 s LEU 304 N 0.00 4.27 0.16 0.99 2.96 -0.69 -4.78 118.68 121.59 3ig4 s LEU 304 Ca 0.00 1.62 -0.32 0.00 -0.22 0.00 0.00 54.13 55.22 3ig4 s LEU 304 Cb 0.00 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 3ig4 s LEU 304 CO 0.00 -0.45 1.59 -0.54 -1.32 0.00 0.00 176.35 175.63 3ig4 s LYS 305 N 1.89 4.21 0.40 1.98 1.02 -1.26 -0.97 119.74 127.00 3ig4 s LYS 305 Ca 0.51 2.38 0.16 0.00 0.02 0.00 0.00 55.97 59.04 3ig4 s LYS 305 Cb -0.20 -3.18 1.04 0.00 -0.52 0.00 0.00 37.83 34.97 3ig4 s LYS 305 CO 0.20 -0.63 1.84 0.35 -0.92 0.00 0.00 175.35 176.20 3ig4 h PHE 306 N 6.91 0.61 0.00 3.18 3.57 -1.40 0.21 116.94 130.01 3ig4 h PHE 306 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3ig4 h PHE 306 Cb 1.20 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3ig4 h PHE 306 CO 0.66 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 176.89 3ig4 h ALA 307 N 1.61 1.00 -0.02 2.41 0.00 -1.90 -2.34 119.26 120.02 3ig4 h ALA 307 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.26 3ig4 h ALA 307 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ig4 h ALA 307 CO -0.20 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.42 3ig4 h ALA 308 N 2.12 0.92 0.12 0.00 0.00 -0.94 -3.09 119.26 118.39 3ig4 h ALA 308 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 3ig4 h ALA 308 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3ig4 h ALA 308 CO 0.00 0.76 -0.29 -0.07 0.00 0.00 0.00 179.25 179.65 3ig4 h LEU 309 N 0.06 -0.84 -0.92 0.00 3.38 -1.54 -0.22 115.31 115.23 3ig4 h LEU 309 Ca -0.01 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3ig4 h LEU 309 Cb 1.12 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3ig4 h LEU 309 CO 0.09 -0.38 -0.37 -1.13 0.09 0.00 0.00 178.44 176.73 3ig4 h ASN 310 N -0.51 0.34 -0.48 -0.43 -0.73 -1.73 -0.90 115.58 111.14 3ig4 h ASN 310 Ca 0.03 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.06 3ig4 h ASN 310 Cb 0.54 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 3ig4 h ASN 310 CO -0.17 0.69 0.29 -0.33 -0.37 0.00 0.00 177.43 177.53 3ig4 h GLU 311 N 0.28 0.66 -0.32 6.67 5.08 -1.36 -0.21 114.58 125.38 3ig4 h GLU 311 Ca 0.03 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3ig4 h GLU 311 Cb 0.78 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ig4 h GLU 311 CO 0.06 0.49 -0.21 1.25 -1.00 0.00 0.00 179.01 179.61 3ig4 h HIS 312 N 0.64 0.82 -0.30 4.33 2.76 -0.87 -1.84 115.15 120.70 3ig4 h HIS 312 Ca 0.17 -0.22 0.06 0.00 -2.20 0.00 0.00 60.37 58.18 3ig4 h HIS 312 Cb 0.01 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 3ig4 h HIS 312 CO -0.03 0.94 -0.05 0.00 -1.30 0.00 0.00 177.93 177.49 3ig4 h ALA 313 N 0.75 0.22 -0.54 5.26 0.00 -0.88 0.57 119.26 124.63 3ig4 h ALA 313 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ig4 h ALA 313 Cb 0.75 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3ig4 h ALA 313 CO 0.06 -0.45 0.30 0.87 0.00 0.00 0.00 179.25 180.03 3ig4 h LYS 314 N 0.03 0.75 -0.29 0.00 1.57 -1.01 -0.40 116.57 117.22 3ig4 h LYS 314 Ca 0.14 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3ig4 h LYS 314 Cb 0.21 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3ig4 h LYS 314 CO -0.29 0.58 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.94 3ig4 h LYS 315 N 0.73 0.07 0.00 3.15 3.64 -0.52 -0.83 116.57 122.80 3ig4 h LYS 315 Ca 0.19 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 3ig4 h LYS 315 Cb 0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3ig4 h LYS 315 CO -0.03 0.05 -0.65 0.28 -2.27 0.00 0.00 179.45 176.83 3ig4 h VAL 316 N 0.07 1.36 -0.37 2.00 2.07 -0.67 -2.59 116.25 118.12 3ig4 h VAL 316 Ca 0.14 -2.30 -0.16 0.00 0.82 0.00 0.00 66.70 65.20 3ig4 h VAL 316 Cb 0.19 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3ig4 h VAL 316 CO -0.24 0.64 -0.40 -0.07 0.02 0.00 0.00 177.57 177.51 3ig4 h LEU 317 N 0.00 0.97 -0.02 2.57 3.38 -0.82 -2.88 115.31 118.52 3ig4 h LEU 317 Ca -0.01 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ig4 h LEU 317 Cb 1.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3ig4 h LEU 317 CO 0.08 1.24 0.01 0.00 0.09 0.00 0.00 178.44 179.87 3ig4 h ALA 318 N 0.80 0.02 -0.30 1.53 0.00 -1.06 -0.42 119.26 119.82 3ig4 h ALA 318 Ca 0.06 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ig4 h ALA 318 Cb 0.99 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 3ig4 h ALA 318 CO 0.10 -0.43 -0.23 0.93 0.00 0.00 0.00 179.25 179.61 3ig4 h GLU 319 N -0.07 -0.20 -0.67 0.00 5.08 -1.48 0.41 114.58 117.64 3ig4 h GLU 319 Ca 0.01 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3ig4 h GLU 319 Cb 0.10 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3ig4 h GLU 319 CO -0.00 -0.14 0.32 0.78 -1.00 0.00 0.00 179.01 178.97 3ig4 h GLY 320 N -0.21 0.99 1.44 -3.84 0.00 -1.33 0.73 103.07 100.85 3ig4 h GLY 320 Ca 0.16 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3ig4 h GLY 320 CO -0.42 0.05 -0.27 0.00 0.00 0.00 0.00 176.54 175.89 3ig4 h LYS 322 N 0.56 -0.90 -0.97 0.00 1.57 0.24 0.28 116.57 117.34 3ig4 h LYS 322 Ca 0.07 0.06 0.29 0.00 -1.87 0.00 0.00 60.65 59.20 3ig4 h LYS 322 Cb 0.75 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.13 3ig4 h LYS 322 CO 0.06 -0.57 0.50 0.00 -0.57 0.00 0.00 179.45 178.87 3ig4 h ALA 323 N -0.96 1.77 -0.00 3.86 0.00 -0.74 0.80 119.26 123.99 3ig4 h ALA 323 Ca -0.10 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ig4 h ALA 323 Cb 0.75 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ig4 h ALA 323 CO 0.16 -0.48 -0.21 0.28 0.00 0.00 0.00 179.25 179.00 3ig4 n VAL 324 N -5.05 0.00 -0.95 0.00 0.31 -0.64 -4.92 118.33 107.08 3ig4 n VAL 324 Ca 0.28 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3ig4 n VAL 324 Cb 0.87 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 3ig4 n VAL 324 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ig4 n GLY 325 N 1.46 0.42 0.11 2.92 0.00 0.28 -4.94 105.19 105.44 3ig4 n GLY 325 Ca 0.08 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 3ig4 n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ig4 h LEU 326 N 0.00 0.00 -8.47 0.99 5.85 -0.65 -3.46 115.31 109.56 3ig4 h LEU 326 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3ig4 h LEU 326 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 3ig4 h LEU 326 CO 0.00 0.74 -0.60 0.27 -0.34 0.00 0.00 178.44 178.50 3ig4 s ILE 327 N -3.21 0.06 -0.24 4.05 -4.36 -1.13 -5.01 121.20 111.35 3ig4 s ILE 327 Ca 0.00 -1.90 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 3ig4 s ILE 327 Cb 0.11 -2.22 -0.11 0.00 1.25 0.00 0.00 42.46 41.49 3ig4 s ILE 327 CO 0.78 -0.25 -0.30 1.67 0.24 0.00 0.00 174.94 177.07 3ig4 n GLN 328 N -0.18 0.52 -4.40 0.37 -0.06 -1.26 -4.32 117.38 108.05 3ig4 n GLN 328 Ca -0.02 0.22 -0.21 0.00 -2.00 0.00 0.00 57.00 54.98 3ig4 n GLN 328 Cb 0.65 -1.38 -0.10 0.00 -4.06 0.00 0.00 30.24 25.35 3ig4 n GLN 328 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3ig4 s GLU 329 N -2.45 1.50 0.39 3.69 2.02 -1.26 -4.96 118.70 117.63 3ig4 s GLU 329 Ca -0.34 -1.68 0.12 0.00 0.02 0.00 0.00 54.97 53.09 3ig4 s GLU 329 Cb 0.13 -1.43 0.91 0.00 0.10 0.00 0.00 34.13 33.84 3ig4 s GLU 329 CO 0.44 0.25 1.90 -0.44 0.02 0.00 0.00 175.26 177.43 3ig4 h ASP 330 N 2.42 0.54 -0.63 -0.19 5.19 -1.96 -2.03 116.42 119.76 3ig4 h ASP 330 Ca -0.39 0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.19 3ig4 h ASP 330 Cb 1.24 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 3ig4 h ASP 330 CO 0.61 0.28 0.43 -0.08 -3.12 0.00 0.00 179.24 177.36 3ig4 h GLU 331 N 0.58 0.24 0.00 3.56 4.81 -2.02 -1.77 114.58 119.97 3ig4 h GLU 331 Ca 0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3ig4 h GLU 331 Cb 0.74 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3ig4 h GLU 331 CO -0.16 0.16 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 3ig4 n GLU 332 N -4.44 0.07 -0.32 1.92 1.02 -0.76 -3.46 120.64 114.67 3ig4 n GLU 332 Ca 0.11 0.29 -0.01 0.00 -0.02 0.00 0.00 57.16 57.53 3ig4 n GLU 332 Cb 0.53 -1.62 0.16 0.00 -0.02 0.00 0.00 31.44 30.49 3ig4 n GLU 332 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ig4 h LEU 333 N 0.00 1.04 -2.09 -4.62 5.85 -1.50 -2.15 115.31 111.85 3ig4 h LEU 333 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ig4 h LEU 333 Cb 0.31 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ig4 h LEU 333 CO 0.00 0.75 0.31 0.77 -0.34 0.00 0.00 178.44 179.94 3ig4 h SER 334 N 1.23 0.00 0.46 1.25 4.64 -1.73 0.63 113.55 120.04 3ig4 h SER 334 Ca 0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 3ig4 h SER 334 Cb -0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3ig4 h SER 334 CO -0.07 0.00 -0.39 0.50 -0.87 0.00 0.00 176.83 175.99 3ig4 h LYS 335 N 0.00 0.00 0.00 4.77 3.64 -1.65 -3.34 116.57 119.99 3ig4 h LYS 335 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ig4 h LYS 335 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3ig4 h LYS 335 CO -0.00 0.39 -0.76 0.66 -2.27 0.00 0.00 179.45 177.47 3ig4 n TYR 336 N -3.95 0.00 -3.71 1.91 4.01 0.20 -4.92 117.16 110.70 3ig4 n TYR 336 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 3ig4 n TYR 336 Cb 0.44 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.26 3ig4 n TYR 336 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ig4 s TYR 337 N -1.87 1.06 -0.39 -0.72 5.04 0.12 -0.73 117.35 119.87 3ig4 s TYR 337 Ca -0.00 -1.02 0.12 0.00 -2.44 0.00 0.00 57.07 53.73 3ig4 s TYR 337 Cb 0.02 -1.14 0.42 0.00 0.35 0.00 0.00 41.96 41.61 3ig4 s TYR 337 CO 0.13 -0.68 0.97 2.48 -1.34 0.00 0.00 175.55 177.10 3ig4 n TYR 338 N 5.04 1.94 -3.86 4.97 4.11 -1.26 -4.21 117.16 123.89 3ig4 n TYR 338 Ca -0.07 -3.14 -0.09 0.00 -0.00 0.00 0.00 57.90 54.61 3ig4 n TYR 338 Cb 0.46 -0.31 -0.00 0.00 -0.00 0.00 0.00 39.34 39.49 3ig4 n TYR 338 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.86 173.48 3ig4 s HIS 339 N -3.18 0.09 0.55 -3.48 -3.43 -1.26 -5.16 115.29 99.43 3ig4 s HIS 339 Ca 0.37 -0.65 -0.18 0.00 -0.80 0.00 0.00 55.06 53.80 3ig4 s HIS 339 Cb 0.41 0.69 -0.05 0.00 -1.43 0.00 0.00 32.58 32.20 3ig4 s HIS 339 CO -0.06 -1.39 1.06 0.20 -2.00 0.00 0.00 174.74 172.55 3ig4 s GLY 340 N -3.03 2.33 0.17 -1.38 0.00 -1.26 -4.98 107.32 99.17 3ig4 s GLY 340 Ca 0.15 0.54 0.20 0.00 0.00 0.00 0.00 44.72 45.61 3ig4 s GLY 340 CO 0.10 0.86 1.01 -0.24 0.00 0.00 0.00 173.10 174.84 3ig4 h VAL 341 N 0.89 0.19 -3.97 1.40 3.04 -1.93 -3.46 116.25 112.41 3ig4 h VAL 341 Ca -0.48 -1.36 -0.25 0.00 -1.01 0.00 0.00 66.70 63.59 3ig4 h VAL 341 Cb 1.23 1.73 -0.21 0.00 -2.01 0.00 0.00 31.29 32.02 3ig4 h VAL 341 CO 0.58 0.11 -0.73 -0.55 -1.01 0.00 0.00 177.57 175.97 3ig4 s SER 342 N -5.57 0.74 -0.01 3.17 0.15 -1.26 0.04 113.70 110.95 3ig4 s SER 342 Ca -0.01 -0.56 -0.20 0.00 0.70 0.00 0.00 55.95 55.88 3ig4 s SER 342 Cb 0.09 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.49 3ig4 s SER 342 CO 0.79 -0.24 0.44 -1.38 1.20 0.00 0.00 173.24 174.05 3ig4 s HIS 343 N -1.49 -0.34 0.79 3.44 -3.43 -1.24 -4.93 115.29 108.10 3ig4 s HIS 343 Ca -0.10 0.51 -0.14 0.00 -0.80 0.00 0.00 55.06 54.52 3ig4 s HIS 343 Cb -0.09 0.21 0.06 0.00 -1.43 0.00 0.00 32.58 31.33 3ig4 s HIS 343 CO -0.00 -0.49 1.08 1.19 -2.00 0.00 0.00 174.74 174.52 3ig4 n PHE 344 N 1.00 0.91 -4.10 0.38 3.72 -1.26 -0.97 117.46 117.14 3ig4 n PHE 344 Ca -0.20 0.39 -0.14 0.00 -0.05 0.00 0.00 57.45 57.45 3ig4 n PHE 344 Cb 0.57 -2.08 -0.13 0.00 -0.94 0.00 0.00 39.48 36.90 3ig4 n PHE 344 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ig4 s LEU 345 N -4.63 2.09 0.00 4.37 2.96 -0.57 -1.31 118.68 121.59 3ig4 s LEU 345 Ca 0.72 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3ig4 s LEU 345 Cb -0.30 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.19 3ig4 s LEU 345 CO 0.52 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 176.12 3ig4 n GLY 346 N 2.47 -0.56 0.27 7.98 0.00 -1.26 -4.62 105.19 109.48 3ig4 n GLY 346 Ca -0.16 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3ig4 n GLY 346 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ig4 h LEU 347 N 0.00 0.00 -9.31 0.99 3.38 -1.94 -2.04 115.31 106.39 3ig4 h LEU 347 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3ig4 h LEU 347 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 3ig4 h LEU 347 CO 0.00 0.09 -0.73 -1.81 0.09 0.00 0.00 178.44 176.08 3ig4 s ASP 348 N -6.05 4.36 0.02 -0.43 1.01 -1.26 -4.72 116.67 109.60 3ig4 s ASP 348 Ca -0.03 -0.47 -0.24 0.00 0.71 0.00 0.00 52.55 52.51 3ig4 s ASP 348 Cb 0.13 -0.80 -0.18 0.00 1.01 0.00 0.00 42.92 43.09 3ig4 s ASP 348 CO 0.56 0.14 1.43 0.74 0.21 0.00 0.00 175.17 178.25 3ig4 h THR 349 N 2.96 1.26 -3.14 -1.27 2.02 -1.86 -3.11 112.91 109.77 3ig4 h THR 349 Ca -0.48 -0.79 -0.75 0.00 0.77 0.00 0.00 66.41 65.15 3ig4 h THR 349 Cb 1.19 1.75 -0.23 0.00 -1.74 0.00 0.00 68.15 69.12 3ig4 h THR 349 CO 0.53 0.21 0.54 -1.00 0.37 0.00 0.00 175.52 176.17 3ig4 s HIS 350 N -4.89 3.62 0.85 3.16 3.76 -1.26 -4.43 115.29 116.10 3ig4 s HIS 350 Ca -0.15 -1.94 -0.11 0.00 -0.15 0.00 0.00 55.06 52.71 3ig4 s HIS 350 Cb 0.03 -4.03 0.10 0.00 1.11 0.00 0.00 32.58 29.80 3ig4 s HIS 350 CO 0.68 -1.19 1.11 0.34 -0.85 0.00 0.00 174.74 174.83 3ig4 s ASP 351 N 2.56 3.69 0.94 1.40 2.15 -0.43 -4.97 116.67 122.01 3ig4 s ASP 351 Ca 0.28 1.90 -0.12 0.00 0.43 0.00 0.00 52.55 55.04 3ig4 s ASP 351 Cb -0.07 -2.49 0.16 0.00 -0.30 0.00 0.00 42.92 40.21 3ig4 s ASP 351 CO -0.08 -2.56 1.10 0.68 -0.17 0.00 0.00 175.17 174.14 3ig4 s VAL 352 N -2.80 2.29 0.00 1.11 -7.23 -1.26 -4.59 120.40 107.92 3ig4 s VAL 352 Ca 0.64 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 3ig4 s VAL 352 Cb -0.19 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.10 3ig4 s VAL 352 CO 0.57 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 3ig4 n GLY 353 N -1.35 4.05 3.79 2.32 0.00 -1.26 -4.71 105.19 108.01 3ig4 n GLY 353 Ca 0.06 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 3ig4 n GLY 353 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ig4 s THR 354 N -0.91 3.79 -0.18 2.61 -4.23 -1.26 -4.98 115.64 110.48 3ig4 s THR 354 Ca 0.00 1.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 3ig4 s THR 354 Cb 0.00 -3.65 -0.13 0.00 1.34 0.00 0.00 72.50 70.07 3ig4 s THR 354 CO 0.00 -0.05 -0.13 -1.22 -0.54 0.00 0.00 174.62 172.68 3ig4 n TYR 355 N -0.24 0.00 -1.70 3.99 4.02 -1.26 -4.78 117.16 117.19 3ig4 n TYR 355 Ca 0.06 0.00 -0.61 0.00 -0.01 0.00 0.00 57.90 57.34 3ig4 n TYR 355 Cb 0.50 -0.70 -0.08 0.00 -0.02 0.00 0.00 39.34 39.04 3ig4 n TYR 355 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3ig4 n LYS 356 N -2.96 0.72 -1.34 -0.72 4.81 -1.26 0.27 118.16 117.68 3ig4 n LYS 356 Ca -0.31 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 3ig4 n LYS 356 Cb 0.86 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 3ig4 n LYS 356 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ig4 n ASP 357 N 5.11 -5.13 -4.74 3.14 8.00 -1.26 -4.94 116.55 116.73 3ig4 n ASP 357 Ca 0.29 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.67 3ig4 n ASP 357 Cb 0.06 -3.67 -0.02 0.00 -0.02 0.00 0.00 41.12 37.46 3ig4 n ASP 357 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3ig4 s ARG 358 N -2.89 4.30 -0.11 -1.24 6.06 0.14 -4.94 118.95 120.28 3ig4 s ARG 358 Ca 0.00 2.24 0.01 0.00 -2.50 0.00 0.00 55.73 55.48 3ig4 s ARG 358 Cb 0.00 -3.13 -0.02 0.00 0.06 0.00 0.00 34.95 31.86 3ig4 s ARG 358 CO 0.00 -0.38 -0.14 0.14 -2.50 0.00 0.00 175.30 172.43 3ig4 s VAL 359 N 0.02 3.03 0.49 7.11 -7.23 -1.26 -0.96 120.40 121.60 3ig4 s VAL 359 Ca 0.59 -0.69 -0.24 0.00 -1.81 0.00 0.00 61.98 59.83 3ig4 s VAL 359 Cb -0.41 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 3ig4 s VAL 359 CO 0.42 0.54 1.42 -0.76 -0.31 0.00 0.00 175.10 176.41 3ig4 s LEU 360 N 0.03 4.02 0.08 1.32 1.02 -0.15 -4.87 118.68 120.13 3ig4 s LEU 360 Ca -0.05 2.90 -0.06 0.00 0.02 0.00 0.00 54.13 56.94 3ig4 s LEU 360 Cb -0.14 -4.05 -0.01 0.00 0.02 0.00 0.00 46.19 42.01 3ig4 s LEU 360 CO 0.04 -1.35 0.13 -1.61 0.02 0.00 0.00 176.35 173.58 3ig4 s GLU 361 N -2.62 0.77 0.29 1.70 2.02 -1.26 -1.80 118.70 117.79 3ig4 s GLU 361 Ca 0.65 -1.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 3ig4 s GLU 361 Cb -0.43 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 33.97 3ig4 s GLU 361 CO 0.54 -0.22 1.26 -1.91 0.02 0.00 0.00 175.26 174.95 3ig4 n GLU 362 N 0.01 1.88 0.00 1.61 2.13 -1.26 -4.75 120.64 120.26 3ig4 n GLU 362 Ca -0.15 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3ig4 n GLU 362 Cb 0.62 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.11 3ig4 n GLU 362 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ig4 n GLY 363 N 1.36 0.79 3.60 8.31 0.00 -0.11 -4.91 105.19 114.24 3ig4 n GLY 363 Ca 0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 3ig4 n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ig4 s VAL 365 N -1.58 -0.32 0.07 1.61 1.01 -1.26 -1.02 120.40 118.91 3ig4 s VAL 365 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3ig4 s VAL 365 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3ig4 s VAL 365 CO 0.00 0.00 -0.05 0.27 0.00 0.00 0.00 175.10 175.32 3ig4 s ILE 366 N 1.99 0.48 0.30 2.22 -4.36 0.39 -1.51 121.20 120.71 3ig4 s ILE 366 Ca -0.08 -1.76 0.07 0.00 -0.26 0.00 0.00 60.65 58.62 3ig4 s ILE 366 Cb -0.06 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 3ig4 s ILE 366 CO -0.18 -0.85 0.31 0.42 0.24 0.00 0.00 174.94 174.88 3ig4 s THR 367 N -3.41 4.18 -0.07 8.37 -4.23 -0.14 0.75 115.64 121.09 3ig4 s THR 367 Ca 0.07 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3ig4 s THR 367 Cb 0.04 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.51 3ig4 s THR 367 CO -0.06 -0.25 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.13 3ig4 s ILE 368 N -2.18 0.45 -0.42 2.99 -1.09 -0.14 -3.64 121.20 117.17 3ig4 s ILE 368 Ca 0.38 0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 3ig4 s ILE 368 Cb -0.08 -0.58 0.27 0.00 -1.58 0.00 0.00 42.46 40.50 3ig4 s ILE 368 CO 0.27 0.26 0.72 -1.84 -1.23 0.00 0.00 174.94 173.13 3ig4 n GLU 369 N 4.96 0.80 -0.85 2.79 0.28 0.11 -1.56 120.64 127.17 3ig4 n GLU 369 Ca -0.10 -2.68 -0.31 0.00 -0.16 0.00 0.00 57.16 53.91 3ig4 n GLU 369 Cb 0.50 -1.35 0.15 0.00 1.43 0.00 0.00 31.44 32.17 3ig4 n GLU 369 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3ig4 s PRO 370 N -0.68 1.34 0.19 3.44 0.04 -1.24 -4.72 135.00 133.37 3ig4 s PRO 370 Ca 0.34 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 3ig4 s PRO 370 Cb 0.23 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 33.05 3ig4 s PRO 370 CO -0.14 -2.38 0.71 0.20 0.04 0.00 0.00 177.00 175.43 3ig4 s GLY 371 N -2.82 -0.37 0.01 0.56 0.00 -1.26 -2.64 107.32 100.78 3ig4 s GLY 371 Ca 0.66 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.61 3ig4 s GLY 371 CO 0.57 0.07 -0.08 1.08 0.00 0.00 0.00 173.10 174.74 3ig4 s LEU 372 N -2.80 2.07 -0.16 0.66 1.43 -0.15 -4.63 118.68 115.10 3ig4 s LEU 372 Ca 0.06 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3ig4 s LEU 372 Cb -0.03 -0.36 0.06 0.00 0.03 0.00 0.00 46.19 45.89 3ig4 s LEU 372 CO -0.04 0.03 0.07 -0.31 0.23 0.00 0.00 176.35 176.33 3ig4 s TYR 373 N -0.44 0.40 -0.47 0.29 2.02 0.09 -1.17 117.35 118.06 3ig4 s TYR 373 Ca 0.00 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3ig4 s TYR 373 Cb -0.05 -0.75 0.13 0.00 -0.40 0.00 0.00 41.96 40.89 3ig4 s TYR 373 CO 0.00 -0.49 0.26 0.42 -1.57 0.00 0.00 175.55 174.16 3ig4 s ILE 374 N 2.07 3.18 0.13 2.71 1.01 0.66 -4.47 121.20 126.48 3ig4 s ILE 374 Ca 0.02 -2.50 -0.20 0.00 0.00 0.00 0.00 60.65 57.97 3ig4 s ILE 374 Cb -0.16 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3ig4 s ILE 374 CO -0.08 -0.74 1.73 -0.08 0.00 0.00 0.00 174.94 175.76 3ig4 h GLU 375 N 7.52 0.08 0.00 2.79 4.81 -1.93 -1.08 114.58 126.77 3ig4 h GLU 375 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3ig4 h GLU 375 Cb 1.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3ig4 h GLU 375 CO 0.68 0.06 0.00 1.05 -0.73 0.00 0.00 179.01 180.06 3ig4 h GLU 376 N 0.09 0.00 -0.17 1.92 9.09 -1.97 -1.83 114.58 121.71 3ig4 h GLU 376 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 3ig4 h GLU 376 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3ig4 h GLU 376 CO -0.14 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.31 3ig4 n GLU 377 N -2.75 1.82 -3.41 1.06 1.02 -0.89 -4.99 120.64 112.50 3ig4 n GLU 377 Ca 0.00 -1.78 -0.25 0.00 -0.02 0.00 0.00 57.16 55.12 3ig4 n GLU 377 Cb 0.22 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3ig4 n GLU 377 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ig4 n SER 378 N 1.03 -4.95 -4.07 1.62 7.64 -0.46 -4.97 113.62 109.46 3ig4 n SER 378 Ca 0.13 -0.46 -0.32 0.00 1.01 0.00 0.00 58.87 59.22 3ig4 n SER 378 Cb 0.47 -4.00 -0.16 0.00 -1.01 0.00 0.00 64.21 59.51 3ig4 n SER 378 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ig4 s ILE 379 N -3.13 1.96 -0.14 0.44 1.01 -0.92 -3.44 121.20 116.98 3ig4 s ILE 379 Ca 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3ig4 s ILE 379 Cb -0.22 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3ig4 s ILE 379 CO 0.56 0.31 -0.13 -0.83 0.00 0.00 0.00 174.94 174.85 3ig4 s GLY 380 N 1.28 1.06 -0.07 6.18 0.00 -1.26 -0.25 107.32 114.26 3ig4 s GLY 380 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3ig4 s GLY 380 CO -0.10 0.55 -0.11 -0.42 0.00 0.00 0.00 173.10 173.03 3ig4 s ILE 381 N 1.48 1.06 -0.01 0.90 1.01 -0.32 -4.65 121.20 120.67 3ig4 s ILE 381 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3ig4 s ILE 381 Cb -0.13 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 3ig4 s ILE 381 CO -0.09 0.35 -0.06 -0.60 0.00 0.00 0.00 174.94 174.53 3ig4 s ARG 382 N 0.90 0.55 -0.07 2.79 3.52 -1.26 -0.98 118.95 124.40 3ig4 s ARG 382 Ca -0.10 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 3ig4 s ARG 382 Cb -0.15 -0.54 0.02 0.00 -1.56 0.00 0.00 34.95 32.72 3ig4 s ARG 382 CO 0.01 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.93 3ig4 s ILE 383 N 0.03 0.90 -0.03 4.11 1.01 -1.08 -3.75 121.20 122.39 3ig4 s ILE 383 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 3ig4 s ILE 383 Cb -0.04 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.58 3ig4 s ILE 383 CO -0.00 0.31 0.03 -0.70 0.00 0.00 0.00 174.94 174.58 3ig4 s GLU 384 N 1.00 0.06 0.24 2.79 2.12 -0.67 -3.63 118.70 120.61 3ig4 s GLU 384 Ca -0.09 0.21 0.10 0.00 0.36 0.00 0.00 54.97 55.55 3ig4 s GLU 384 Cb -0.15 -0.40 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 3ig4 s GLU 384 CO -0.00 -0.21 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.92 3ig4 s ASP 385 N 1.39 4.21 -0.32 -1.70 1.01 -0.60 -3.44 116.67 117.21 3ig4 s ASP 385 Ca -0.05 -0.70 -0.11 0.00 0.71 0.00 0.00 52.55 52.39 3ig4 s ASP 385 Cb -0.13 -0.67 -0.01 0.00 1.01 0.00 0.00 42.92 43.12 3ig4 s ASP 385 CO -0.03 0.05 0.20 -1.81 0.21 0.00 0.00 175.17 173.79 3ig4 s ASP 386 N -3.31 5.81 -0.06 0.27 1.01 -1.26 -0.96 116.67 118.17 3ig4 s ASP 386 Ca 0.28 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 53.06 3ig4 s ASP 386 Cb -0.07 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3ig4 s ASP 386 CO 0.17 -0.21 0.08 -0.63 0.21 0.00 0.00 175.17 174.79 3ig4 s ILE 387 N 1.67 4.84 -0.13 0.77 -1.09 0.23 -1.62 121.20 125.88 3ig4 s ILE 387 Ca 0.05 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.24 3ig4 s ILE 387 Cb -0.17 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 3ig4 s ILE 387 CO 0.08 0.49 0.03 -0.22 -1.23 0.00 0.00 174.94 174.10 3ig4 s LEU 388 N -1.32 3.72 -0.24 2.97 2.96 0.34 -0.46 118.68 126.64 3ig4 s LEU 388 Ca 0.18 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 3ig4 s LEU 388 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3ig4 s LEU 388 CO 0.08 0.29 0.60 -0.69 -1.32 0.00 0.00 176.35 175.31 3ig4 s VAL 389 N -0.32 5.02 0.42 1.68 1.01 -1.26 -0.20 120.40 126.74 3ig4 s VAL 389 Ca 0.08 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.19 3ig4 s VAL 389 Cb -0.12 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.42 3ig4 s VAL 389 CO 0.02 0.06 0.53 0.35 0.00 0.00 0.00 175.10 176.06 3ig4 n THR 390 N 5.08 0.00 -0.35 3.92 -2.24 -0.01 -0.93 114.28 119.74 3ig4 n THR 390 Ca -0.02 -1.44 0.07 0.00 -2.27 0.00 0.00 64.05 60.40 3ig4 n THR 390 Cb 0.49 -0.55 0.25 0.00 -2.10 0.00 0.00 70.33 68.42 3ig4 n THR 390 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3ig4 h LYS 391 N 0.00 0.95 0.00 -0.78 3.64 -1.96 -3.24 116.57 115.17 3ig4 h LYS 391 Ca -0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3ig4 h LYS 391 Cb 0.91 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ig4 h LYS 391 CO 0.30 0.63 0.00 -0.40 -2.27 0.00 0.00 179.45 177.71 3ig4 n ASP 392 N -4.59 0.42 0.00 4.20 5.75 -1.26 -4.73 116.55 116.33 3ig4 n ASP 392 Ca 0.18 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 3ig4 n ASP 392 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3ig4 n ASP 392 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ig4 n GLY 393 N -0.09 1.99 3.10 6.12 0.00 -1.22 -4.83 105.19 110.26 3ig4 n GLY 393 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 3ig4 n GLY 393 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ig4 s HIS 394 N 1.10 0.45 -0.08 1.61 -3.43 -1.25 -0.83 115.29 112.85 3ig4 s HIS 394 Ca 0.00 -0.95 0.02 0.00 -0.80 0.00 0.00 55.06 53.32 3ig4 s HIS 394 Cb 0.00 -0.33 0.02 0.00 -1.43 0.00 0.00 32.58 30.84 3ig4 s HIS 394 CO 0.00 -0.38 -0.12 -2.00 -2.00 0.00 0.00 174.74 170.24 3ig4 s GLU 395 N -3.68 1.76 -0.64 -0.38 2.12 0.72 -4.82 118.70 113.78 3ig4 s GLU 395 Ca 0.05 -0.41 -0.27 0.00 0.36 0.00 0.00 54.97 54.70 3ig4 s GLU 395 Cb 0.06 -1.53 0.03 0.00 0.26 0.00 0.00 34.13 32.95 3ig4 s GLU 395 CO -0.09 -0.05 1.18 1.21 -0.54 0.00 0.00 175.26 176.97 3ig4 s ASN 396 N 0.94 6.32 0.56 -1.70 3.84 -1.26 -0.51 114.94 123.12 3ig4 s ASN 396 Ca -0.09 -0.21 0.32 0.00 0.21 0.00 0.00 52.86 53.09 3ig4 s ASN 396 Cb -0.15 -2.53 1.63 0.00 -0.55 0.00 0.00 41.25 39.65 3ig4 s ASN 396 CO 0.00 -1.58 2.11 -0.07 -2.79 0.00 0.00 177.10 174.78 3ig4 h LEU 397 N 12.19 0.00 -3.28 3.21 3.38 -1.67 -2.94 115.31 126.20 3ig4 h LEU 397 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 3ig4 h LEU 397 Cb 1.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 3ig4 h LEU 397 CO 1.21 0.07 -0.11 -1.54 0.09 0.00 0.00 178.44 178.16 3ig4 n SER 398 N -3.41 2.59 0.26 -0.43 3.41 -1.25 -4.71 113.62 110.07 3ig4 n SER 398 Ca -0.02 -3.65 0.09 0.00 -0.26 0.00 0.00 58.87 55.03 3ig4 n SER 398 Cb 0.22 -0.60 0.66 0.00 -0.26 0.00 0.00 64.21 64.22 3ig4 n SER 398 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ig4 h LYS 399 N 1.06 0.00 0.00 4.33 2.10 -1.88 -2.31 116.57 119.87 3ig4 h LYS 399 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3ig4 h LYS 399 Cb 1.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 3ig4 h LYS 399 CO 0.31 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.54 3ig4 n ASP 400 N -4.39 0.63 -4.66 7.07 8.00 -1.26 -4.55 116.55 117.39 3ig4 n ASP 400 Ca -0.03 0.71 -0.43 0.00 0.71 0.00 0.00 54.79 55.75 3ig4 n ASP 400 Cb 0.12 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 3ig4 n ASP 400 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ig4 s ILE 401 N -3.42 4.49 0.16 0.53 1.01 -0.87 -4.99 121.20 118.10 3ig4 s ILE 401 Ca 0.01 1.79 -0.31 0.00 0.00 0.00 0.00 60.65 62.15 3ig4 s ILE 401 Cb 0.08 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3ig4 s ILE 401 CO 0.31 -0.18 1.37 0.27 0.00 0.00 0.00 174.94 176.70 3ig4 s ILE 402 N 3.38 3.20 0.00 2.92 -4.36 -1.26 -4.93 121.20 120.15 3ig4 s ILE 402 Ca 0.49 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.79 3ig4 s ILE 402 Cb -0.18 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 39.95 3ig4 s ILE 402 CO 0.10 0.10 0.00 0.54 0.24 0.00 0.00 174.94 175.93 3ig4 n ARG 403 N 3.33 3.68 -1.67 0.37 5.12 -1.26 -4.87 116.66 121.35 3ig4 n ARG 403 Ca 0.09 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.65 3ig4 n ARG 403 Cb 0.42 -0.98 0.07 0.00 -1.16 0.00 0.00 32.46 30.81 3ig4 n ARG 403 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ig4 s GLU 404 N -1.96 2.45 0.26 5.56 0.41 -1.26 -4.84 118.70 119.32 3ig4 s GLU 404 Ca 0.00 2.00 -0.04 0.00 -0.41 0.00 0.00 54.97 56.52 3ig4 s GLU 404 Cb 0.00 -1.84 0.32 0.00 -1.78 0.00 0.00 34.13 30.83 3ig4 s GLU 404 CO 0.00 -1.66 1.84 0.28 -0.49 0.00 0.00 175.26 175.24 3ig4 h VAL 405 N 0.36 1.24 -0.19 2.63 2.07 -1.99 -1.93 116.25 118.44 3ig4 h VAL 405 Ca -0.50 -0.72 -0.19 0.00 0.82 0.00 0.00 66.70 66.11 3ig4 h VAL 405 Cb 1.33 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ig4 h VAL 405 CO 0.52 0.29 -0.64 -0.33 0.02 0.00 0.00 177.57 177.44 3ig4 h GLU 406 N 1.02 0.67 -0.99 1.57 3.07 -1.99 -1.96 114.58 115.97 3ig4 h GLU 406 Ca 0.24 -0.47 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3ig4 h GLU 406 Cb 0.17 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.10 3ig4 h GLU 406 CO -0.02 1.09 0.66 0.93 -1.40 0.00 0.00 179.01 180.27 3ig4 h GLU 407 N 0.49 1.29 0.12 2.33 5.08 -1.82 0.08 114.58 122.15 3ig4 h GLU 407 Ca -0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3ig4 h GLU 407 Cb 1.22 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3ig4 h GLU 407 CO 0.13 0.85 -0.06 0.82 -1.00 0.00 0.00 179.01 179.75 3ig4 h ILE 408 N 1.33 1.03 -0.91 3.13 2.04 -1.29 -0.90 117.51 121.94 3ig4 h ILE 408 Ca 0.37 -1.21 0.09 0.00 1.00 0.00 0.00 64.86 65.10 3ig4 h ILE 408 Cb -0.13 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3ig4 h ILE 408 CO -0.09 0.26 0.59 -0.33 0.00 0.00 0.00 178.15 178.59 3ig4 h GLU 409 N -0.79 0.92 0.34 2.37 5.08 -1.30 -2.01 114.58 119.21 3ig4 h GLU 409 Ca -0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3ig4 h GLU 409 Cb 0.55 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ig4 h GLU 409 CO 0.03 0.61 -0.16 1.49 -1.00 0.00 0.00 179.01 179.97 3ig4 h GLU 410 N 0.95 -0.44 -0.46 2.33 4.57 -0.98 -2.11 114.58 118.43 3ig4 h GLU 410 Ca 0.41 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 3ig4 h GLU 410 Cb 0.34 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3ig4 h GLU 410 CO -0.17 -0.18 0.00 0.34 -1.18 0.00 0.00 179.01 177.82 3ig4 n PHE 411 N -5.21 0.00 0.00 0.92 7.35 -0.34 -0.53 117.46 119.65 3ig4 n PHE 411 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 3ig4 n PHE 411 Cb 0.25 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.06 3ig4 n PHE 411 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3ig4 n ARG 413 N 0.47 0.00 -0.06 -4.13 0.63 -0.80 -0.96 116.66 111.82 3ig4 n ARG 413 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 3ig4 n ARG 413 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 3ig4 n ARG 413 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3ig4 h GLU 414 N 0.00 0.31 0.00 -0.14 5.08 -1.08 -3.38 114.58 115.37 3ig4 h GLU 414 Ca 0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3ig4 h GLU 414 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ig4 h GLU 414 CO 0.00 0.44 -1.85 0.09 -1.00 0.00 0.00 179.01 176.69 3ig4 n ASN 415 N -4.78 1.11 -4.59 1.42 4.13 -0.13 -4.93 115.26 107.49 3ig4 n ASN 415 Ca -0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.79 3ig4 n ASN 415 Cb 0.17 1.58 -0.03 0.00 -1.54 0.00 0.00 39.78 39.96 3ig4 n ASN 415 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3ig4 s ASN 416 N -4.18 6.59 0.35 6.41 3.84 -1.26 -4.84 114.94 121.85 3ig4 s ASN 416 Ca -0.07 0.34 0.17 0.00 0.21 0.00 0.00 52.86 53.52 3ig4 s ASN 416 Cb 0.09 -2.50 1.22 0.00 -0.55 0.00 0.00 41.25 39.52 3ig4 s ASN 416 CO 0.69 -1.11 1.56 0.52 -2.79 0.00 0.00 177.10 175.97 3ig4 n VAL 417 N 6.53 -0.41 -2.96 -5.21 0.31 -1.23 -2.79 118.33 112.57 3ig4 n VAL 417 Ca 0.09 2.04 -0.31 0.00 -0.01 0.00 0.00 64.34 66.14 3ig4 n VAL 417 Cb 0.49 -3.24 -0.03 0.00 -0.91 0.00 0.00 33.84 30.15 3ig4 n VAL 417 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3ig4 n ASN 418 N -5.28 5.12 0.00 4.52 2.04 -1.26 -5.20 115.26 115.20 3ig4 n ASN 418 Ca 0.35 -3.64 0.00 0.00 -0.44 0.00 0.00 54.58 50.85 3ig4 n ASN 418 Cb 1.17 -0.75 0.00 0.00 -2.53 0.00 0.00 39.78 37.67 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34