#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 0.00 -0.91 3.14 4.64 -1.80 -0.99 113.55 117.63 3ig4 h SER 3 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3ig4 h SER 3 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3ig4 h SER 3 CO 0.00 0.00 0.59 0.50 -0.87 0.00 0.00 176.83 177.05 3ig4 h LYS 4 N 0.00 0.81 -0.56 4.77 3.64 -1.89 -0.24 116.57 123.11 3ig4 h LYS 4 Ca 0.47 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 3ig4 h LYS 4 Cb 2.09 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 3ig4 h LYS 4 CO -0.00 0.54 0.30 0.35 -2.27 0.00 0.00 179.45 178.36 3ig4 h PHE 5 N 0.84 0.77 -0.05 1.91 3.57 -1.58 -0.70 116.94 121.70 3ig4 h PHE 5 Ca 0.44 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.74 3ig4 h PHE 5 Cb 0.54 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3ig4 h PHE 5 CO -0.00 0.57 -0.75 0.74 -2.23 0.00 0.00 178.31 176.64 3ig4 h PHE 6 N 0.75 0.40 -0.72 0.41 0.04 -1.57 -2.24 116.94 114.01 3ig4 h PHE 6 Ca 0.20 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 3ig4 h PHE 6 Cb 0.06 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3ig4 h PHE 6 CO -0.01 0.93 0.26 0.00 -0.60 0.00 0.00 178.31 178.90 3ig4 h ALA 7 N 1.01 1.10 -0.15 2.45 0.00 -0.66 -1.53 119.26 121.48 3ig4 h ALA 7 Ca -0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 3ig4 h ALA 7 Cb 1.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ig4 h ALA 7 CO 0.12 0.63 -0.50 1.96 0.00 0.00 0.00 179.25 181.45 3ig4 h GLN 8 N 1.06 0.42 -0.32 0.00 4.20 -1.07 -2.08 115.11 117.31 3ig4 h GLN 8 Ca 0.24 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3ig4 h GLN 8 Cb 0.24 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3ig4 h GLN 8 CO -0.02 0.83 0.18 -0.91 -0.67 0.00 0.00 178.83 178.24 3ig4 h ASN 9 N 0.33 0.28 -0.78 1.46 2.35 -0.92 -1.14 115.58 117.16 3ig4 h ASN 9 Ca 0.01 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3ig4 h ASN 9 Cb 1.00 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 3ig4 h ASN 9 CO 0.09 0.21 0.51 0.03 -1.65 0.00 0.00 177.43 176.61 3ig4 h ARG 10 N 0.36 0.99 -0.22 0.81 3.08 -1.13 -0.59 114.38 117.69 3ig4 h ARG 10 Ca 0.13 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ig4 h ARG 10 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3ig4 h ARG 10 CO -0.07 0.66 0.11 0.93 -1.07 0.00 0.00 179.97 180.53 3ig4 h GLU 11 N 1.02 0.23 -0.65 0.04 5.08 -0.97 0.16 114.58 119.50 3ig4 h GLU 11 Ca 0.30 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3ig4 h GLU 11 Cb -0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3ig4 h GLU 11 CO -0.08 0.15 0.26 0.00 -1.00 0.00 0.00 179.01 178.34 3ig4 h ARG 12 N 0.24 0.95 -0.25 2.33 3.08 -0.96 -2.65 114.38 117.13 3ig4 h ARG 12 Ca 0.09 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3ig4 h ARG 12 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3ig4 h ARG 12 CO -0.06 0.78 0.09 1.25 -1.07 0.00 0.00 179.97 180.96 3ig4 h LEU 13 N 0.94 0.35 -1.06 3.04 5.85 -0.54 -2.83 115.31 121.05 3ig4 h LEU 13 Ca 0.22 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.90 3ig4 h LEU 13 Cb 0.18 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3ig4 h LEU 13 CO -0.02 0.43 0.62 0.58 -0.34 0.00 0.00 178.44 179.71 3ig4 h VAL 14 N 0.24 0.88 0.00 1.05 2.07 -0.46 0.46 116.25 120.49 3ig4 h VAL 14 Ca 0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3ig4 h VAL 14 Cb 0.20 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3ig4 h VAL 14 CO -0.01 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.34 3ig4 n ASN 15 N -4.63 0.00 0.00 0.57 3.02 -1.02 -1.87 115.26 111.34 3ig4 n ASN 15 Ca 0.19 0.50 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 3ig4 n ASN 15 Cb 0.41 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.50 0.02 -3.81 3.41 -2.24 0.14 -4.94 114.28 105.36 3ig4 n THR 16 Ca 0.03 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 3ig4 n THR 16 Cb 0.15 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 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 -3.21 4.40 0.82 3.22 1.43 -0.78 -5.07 118.68 119.49 3ig4 s LEU 17 Ca 0.07 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 3ig4 s LEU 17 Cb 0.16 -2.24 0.09 0.00 0.03 0.00 0.00 46.19 44.23 3ig4 s LEU 17 CO 0.84 0.37 1.13 -2.16 0.23 0.00 0.00 176.35 176.77 3ig4 s PRO 18 N -1.15 1.75 0.78 1.29 0.04 -1.26 -4.99 135.00 131.46 3ig4 s PRO 18 Ca 0.18 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 3ig4 s PRO 18 Cb -0.13 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.65 3ig4 s PRO 18 CO 0.07 -2.07 1.09 0.34 0.04 0.00 0.00 177.00 176.48 3ig4 s ASP 19 N -2.86 4.60 -1.08 6.66 2.15 -1.26 -4.20 116.67 120.68 3ig4 s ASP 19 Ca 0.66 1.40 -0.07 0.00 0.43 0.00 0.00 52.55 54.96 3ig4 s ASP 19 Cb -0.21 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 3ig4 s ASP 19 CO 0.54 -1.91 0.91 -0.62 -0.17 0.00 0.00 175.17 173.92 3ig4 n GLU 20 N -3.41 -2.54 -3.67 4.34 -0.58 0.11 -5.01 120.64 109.89 3ig4 n GLU 20 Ca 0.07 0.81 -0.14 0.00 -0.42 0.00 0.00 57.16 57.48 3ig4 n GLU 20 Cb 0.55 -5.61 -0.07 0.00 -0.57 0.00 0.00 31.44 25.75 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 -3.50 -0.33 0.01 1.62 1.04 -0.84 -4.41 113.70 107.29 3ig4 s SER 21 Ca 0.41 0.18 0.08 0.00 0.48 0.00 0.00 55.95 57.11 3ig4 s SER 21 Cb -0.07 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 3ig4 s SER 21 CO 0.76 -0.57 -0.25 -0.51 0.98 0.00 0.00 173.24 173.64 3ig4 s ILE 22 N -1.77 2.18 -0.07 -1.02 2.07 -0.34 -1.23 121.20 121.02 3ig4 s ILE 22 Ca -0.10 -1.21 0.04 0.00 -1.41 0.00 0.00 60.65 57.98 3ig4 s ILE 22 Cb -0.02 -1.80 -0.00 0.00 0.13 0.00 0.00 42.46 40.76 3ig4 s ILE 22 CO 0.03 0.48 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.46 3ig4 s THR 23 N -0.71 1.64 -0.06 4.00 2.01 -0.35 -0.09 115.64 122.08 3ig4 s THR 23 Ca 0.11 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3ig4 s THR 23 Cb -0.10 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.99 3ig4 s THR 23 CO 0.01 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.62 3ig4 s ILE 24 N 0.22 1.33 -0.02 1.82 1.01 -0.58 -0.82 121.20 124.16 3ig4 s ILE 24 Ca -0.10 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3ig4 s ILE 24 Cb -0.15 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3ig4 s ILE 24 CO 0.05 0.39 -0.21 -0.76 0.00 0.00 0.00 174.94 174.41 3ig4 s LEU 25 N 0.31 2.03 -0.17 2.97 1.43 -0.19 -4.11 118.68 120.95 3ig4 s LEU 25 Ca -0.09 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3ig4 s LEU 25 Cb -0.13 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3ig4 s LEU 25 CO 0.03 0.24 -0.06 -0.36 0.23 0.00 0.00 176.35 176.44 3ig4 s PHE 26 N -0.39 2.96 0.30 0.29 0.08 -1.26 -1.33 117.98 118.63 3ig4 s PHE 26 Ca 0.05 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 3ig4 s PHE 26 Cb -0.09 -1.97 0.47 0.00 -0.57 0.00 0.00 43.02 40.86 3ig4 s PHE 26 CO -0.00 -0.19 1.94 0.00 -0.10 0.00 0.00 175.22 176.87 3ig4 h ALA 27 N 7.05 1.39 0.00 5.36 0.00 -1.62 -3.46 119.26 127.97 3ig4 h ALA 27 Ca -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ig4 h ALA 27 Cb 1.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3ig4 h ALA 27 CO 0.60 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3ig4 n GLY 28 N -1.28 -0.12 3.45 0.00 0.00 -1.26 -4.23 105.19 101.75 3ig4 n GLY 28 Ca 0.07 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 3ig4 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ig4 s GLN 29 N -1.38 1.64 0.18 1.61 -0.21 -1.26 -1.22 119.66 119.02 3ig4 s GLN 29 Ca 0.00 -1.74 -0.30 0.00 0.02 0.00 0.00 55.36 53.34 3ig4 s GLN 29 Cb 0.00 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.22 3ig4 s GLN 29 CO 0.00 0.32 1.22 0.00 -2.12 0.00 0.00 175.29 174.71 3ig4 s ALA 30 N -2.50 3.45 0.60 6.09 0.00 -1.26 -4.95 121.76 123.19 3ig4 s ALA 30 Ca 0.29 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 3ig4 s ALA 30 Cb -0.05 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3ig4 s ALA 30 CO 0.14 -0.41 1.18 -1.25 0.00 0.00 0.00 175.76 175.41 3ig4 s PRO 31 N -0.09 2.99 1.14 0.00 0.04 -1.26 -4.76 135.00 133.06 3ig4 s PRO 31 Ca 0.54 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 3ig4 s PRO 31 Cb -0.33 -1.94 0.19 0.00 0.04 0.00 0.00 34.50 32.45 3ig4 s PRO 31 CO 0.36 -1.16 0.46 1.58 0.04 0.00 0.00 177.00 178.28 3ig4 n HIS 32 N -1.69 -1.36 -3.80 0.56 -0.00 -1.26 -1.52 115.22 106.15 3ig4 n HIS 32 Ca 0.13 0.01 -0.36 0.00 -0.00 0.00 0.00 57.72 57.50 3ig4 n HIS 32 Cb 0.50 -1.63 -0.07 0.00 -0.00 0.00 0.00 29.99 28.79 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 -2.09 6.31 0.60 0.26 0.15 -0.99 -4.68 113.70 113.26 3ig4 s SER 34 Ca 0.62 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3ig4 s SER 34 Cb -0.18 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3ig4 s SER 34 CO 0.66 0.30 0.00 0.00 1.20 0.00 0.00 173.24 175.40 3ig4 n ALA 35 N 2.71 0.00 0.78 5.45 0.00 -1.26 -0.46 120.51 127.73 3ig4 n ALA 35 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.36 3ig4 n ALA 35 Cb 0.54 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.26 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 2.33 -4.81 0.00 5.75 -1.26 -4.88 116.55 116.53 3ig4 n ASP 36 Ca 0.00 -1.88 -0.38 0.00 -0.01 0.00 0.00 54.79 52.52 3ig4 n ASP 36 Cb 0.00 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.82 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 -1.57 3.54 0.25 2.12 0.00 0.39 -5.09 121.76 121.39 3ig4 s ALA 37 Ca 0.33 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.45 3ig4 s ALA 37 Cb 0.18 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3ig4 s ALA 37 CO 0.25 0.38 0.02 -1.01 0.00 0.00 0.00 175.76 175.41 3ig4 s HIS 38 N -1.26 2.78 1.05 0.00 3.76 -1.26 -2.35 115.29 118.00 3ig4 s HIS 38 Ca 0.34 -0.19 -0.12 0.00 -0.15 0.00 0.00 55.06 54.93 3ig4 s HIS 38 Cb -0.19 -1.25 0.22 0.00 1.11 0.00 0.00 32.58 32.47 3ig4 s HIS 38 CO 0.20 0.59 1.07 0.71 -0.85 0.00 0.00 174.74 176.46 3ig4 s TYR 39 N -2.21 1.81 0.34 1.40 2.02 -0.57 -4.96 117.35 115.18 3ig4 s TYR 39 Ca 0.31 1.14 -0.28 0.00 -0.37 0.00 0.00 57.07 57.87 3ig4 s TYR 39 Cb -0.07 -3.19 -0.10 0.00 -0.40 0.00 0.00 41.96 38.20 3ig4 s TYR 39 CO 0.20 -3.22 1.31 0.15 -1.57 0.00 0.00 175.55 172.42 3ig4 s LYS 40 N -4.75 4.29 0.26 -0.62 1.02 -1.26 -4.72 119.74 113.96 3ig4 s LYS 40 Ca 0.66 2.21 -0.30 0.00 0.02 0.00 0.00 55.97 58.57 3ig4 s LYS 40 Cb -0.21 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 3ig4 s LYS 40 CO 0.60 -0.24 1.38 0.12 -0.92 0.00 0.00 175.35 176.30 3ig4 s PHE 41 N -1.16 3.07 -0.26 3.18 5.36 -1.26 -4.88 117.98 122.03 3ig4 s PHE 41 Ca 0.50 1.15 0.02 0.00 -0.96 0.00 0.00 56.93 57.64 3ig4 s PHE 41 Cb -0.40 -3.75 0.07 0.00 -0.34 0.00 0.00 43.02 38.60 3ig4 s PHE 41 CO 0.52 -2.33 -0.05 0.08 -1.46 0.00 0.00 175.22 171.99 3ig4 s VAL 42 N -0.24 1.74 0.21 3.12 1.01 -1.26 -5.08 120.40 119.90 3ig4 s VAL 42 Ca 0.56 -1.45 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 3ig4 s VAL 42 Cb -0.40 -2.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 3ig4 s VAL 42 CO 0.44 -0.16 1.42 -2.65 0.00 0.00 0.00 175.10 174.15 3ig4 n PRO 43 N 4.57 1.97 -1.83 2.72 -0.02 -1.26 -4.85 135.00 136.30 3ig4 n PRO 43 Ca -0.10 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3ig4 n PRO 43 Cb 0.43 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.40 6.52 0.33 2.55 3.84 -1.26 -4.88 114.94 122.44 3ig4 s ASN 44 Ca 0.71 2.43 0.01 0.00 0.21 0.00 0.00 52.86 56.22 3ig4 s ASN 44 Cb -0.68 -2.53 0.56 0.00 -0.55 0.00 0.00 41.25 38.05 3ig4 s ASN 44 CO 0.47 -1.03 1.95 0.03 -2.79 0.00 0.00 177.10 175.74 3ig4 h ARG 45 N 10.25 0.83 -0.46 0.43 2.47 -1.93 0.12 114.38 126.08 3ig4 h ARG 45 Ca -0.44 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.14 3ig4 h ARG 45 Cb 1.21 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 3ig4 h ARG 45 CO 0.95 0.61 0.09 -0.91 0.56 0.00 0.00 179.97 181.27 3ig4 h ASN 46 N 0.83 0.71 -0.46 7.04 2.35 -1.99 0.14 115.58 124.21 3ig4 h ASN 46 Ca 0.21 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3ig4 h ASN 46 Cb 0.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3ig4 h ASN 46 CO -0.03 0.78 0.22 0.15 -1.65 0.00 0.00 177.43 176.89 3ig4 h PHE 47 N 0.62 0.67 -0.40 1.19 3.57 -1.69 -2.26 116.94 118.64 3ig4 h PHE 47 Ca 0.14 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3ig4 h PHE 47 Cb 0.35 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3ig4 h PHE 47 CO 0.02 0.54 0.14 -0.92 -2.23 0.00 0.00 178.31 175.87 3ig4 h TYR 48 N 0.60 0.63 0.00 0.41 5.03 -0.80 -0.46 116.97 122.38 3ig4 h TYR 48 Ca 0.16 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3ig4 h TYR 48 Cb 0.13 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 3ig4 h TYR 48 CO -0.01 0.58 -0.02 -0.92 -1.32 0.00 0.00 178.16 176.46 3ig4 h TYR 49 N 0.51 0.00 0.00 -3.82 3.20 -0.58 0.39 116.97 116.67 3ig4 h TYR 49 Ca 0.13 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.77 3ig4 h TYR 49 Cb 0.23 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3ig4 h TYR 49 CO 0.01 0.02 -1.73 0.28 -1.64 0.00 0.00 178.16 175.10 3ig4 n VAL 50 N -4.07 1.29 0.00 1.81 0.31 -0.82 -4.60 118.33 112.26 3ig4 n VAL 50 Ca -0.03 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 3ig4 n VAL 50 Cb 0.11 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3ig4 n VAL 50 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ig4 n THR 51 N -2.88 0.00 -0.98 2.52 -2.24 -0.24 -4.64 114.28 105.81 3ig4 n THR 51 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ig4 n THR 51 Cb 0.95 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 2.37 0.34 3.63 3.38 0.00 0.14 -4.04 105.19 111.01 3ig4 n GLY 52 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.72 5.07 -0.20 -0.61 -1.09 -1.26 -4.85 121.20 116.53 3ig4 s ILE 53 Ca 0.00 0.07 0.16 0.00 -2.23 0.00 0.00 60.65 58.65 3ig4 s ILE 53 Cb 0.00 -3.33 0.60 0.00 -1.58 0.00 0.00 42.46 38.15 3ig4 s ILE 53 CO 0.00 0.39 1.51 -0.90 -1.23 0.00 0.00 174.94 174.71 3ig4 n ASP 54 N 4.04 4.30 -4.60 3.58 5.75 -1.26 -4.56 116.55 123.80 3ig4 n ASP 54 Ca -0.16 -3.03 -0.24 0.00 -0.01 0.00 0.00 54.79 51.35 3ig4 n ASP 54 Cb 0.52 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.94 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 -2.84 2.13 0.50 0.11 2.02 -1.26 -4.75 118.70 114.61 3ig4 s GLU 55 Ca 0.45 -1.41 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 3ig4 s GLU 55 Cb 0.36 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 3ig4 s GLU 55 CO 0.10 0.38 0.99 -1.25 0.02 0.00 0.00 175.26 175.51 3ig4 s PRO 56 N -3.36 3.91 0.00 0.39 0.04 -1.26 -4.37 135.00 130.34 3ig4 s PRO 56 Ca 0.29 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3ig4 s PRO 56 Cb -0.07 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3ig4 s PRO 56 CO 0.18 -0.31 0.00 0.09 0.04 0.00 0.00 177.00 176.99 3ig4 n ASN 57 N -1.28 -1.21 -4.85 6.66 3.02 -0.36 -4.90 115.26 112.34 3ig4 n ASN 57 Ca 0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 3ig4 n ASN 57 Cb 0.54 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.86 4.60 -0.00 2.41 1.01 -1.26 -4.76 120.40 119.55 3ig4 s VAL 58 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.07 3ig4 s VAL 58 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3ig4 s VAL 58 CO 0.00 -0.74 -0.09 -0.63 0.00 0.00 0.00 175.10 173.64 3ig4 s ILE 59 N -2.68 0.73 0.51 2.22 1.01 -0.50 -1.56 121.20 120.93 3ig4 s ILE 59 Ca 0.57 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.76 3ig4 s ILE 59 Cb -0.10 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3ig4 s ILE 59 CO 0.35 0.15 0.00 0.12 0.00 0.00 0.00 174.94 175.56 3ig4 s PHE 60 N -0.33 1.88 -0.30 3.97 5.36 -0.45 -0.72 117.98 127.39 3ig4 s PHE 60 Ca 0.03 -0.95 -0.16 0.00 -0.96 0.00 0.00 56.93 54.88 3ig4 s PHE 60 Cb -0.04 -1.61 0.17 0.00 -0.34 0.00 0.00 43.02 41.20 3ig4 s PHE 60 CO -0.00 0.23 1.17 -1.17 -1.46 0.00 0.00 175.22 173.98 3ig4 s LEU 62 N -3.87 -0.21 -0.14 6.12 2.96 0.00 -1.02 118.68 122.52 3ig4 s LEU 62 Ca 0.07 0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 3ig4 s LEU 62 Cb 0.02 1.17 -0.05 0.00 0.50 0.00 0.00 46.19 47.84 3ig4 s LEU 62 CO 0.03 -0.04 0.35 -0.54 -1.32 0.00 0.00 176.35 174.84 3ig4 s LYS 63 N 2.98 4.27 -0.32 1.98 1.02 -0.16 -1.21 119.74 128.29 3ig4 s LYS 63 Ca -0.05 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.16 3ig4 s LYS 63 Cb -0.09 -3.42 0.10 0.00 -0.52 0.00 0.00 37.83 33.90 3ig4 s LYS 63 CO -0.09 0.22 0.07 0.21 -0.92 0.00 0.00 175.35 174.84 3ig4 s LYS 64 N 0.48 1.11 -0.04 1.68 2.20 -0.36 -0.93 119.74 123.88 3ig4 s LYS 64 Ca 0.20 -1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 54.36 3ig4 s LYS 64 Cb -0.14 -2.59 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 3ig4 s LYS 64 CO 0.06 -0.95 0.02 -0.06 -0.36 0.00 0.00 175.35 174.06 3ig4 s PHE 65 N 1.27 0.25 0.00 4.03 0.08 -1.06 0.08 117.98 122.63 3ig4 s PHE 65 Ca 0.10 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3ig4 s PHE 65 Cb -0.18 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 3ig4 s PHE 65 CO -0.16 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 3ig4 n GLY 66 N 4.53 3.97 0.18 4.36 0.00 -1.26 -0.20 105.19 116.77 3ig4 n GLY 66 Ca -0.19 0.05 0.12 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 6.91 1.05 -4.82 1.61 3.02 -1.26 -4.93 115.26 116.84 3ig4 n ASN 67 Ca 0.00 -0.83 -0.32 0.00 -0.03 0.00 0.00 54.58 53.40 3ig4 n ASN 67 Cb 0.00 0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.72 5.57 -0.22 6.41 0.01 0.72 -5.07 113.70 118.40 3ig4 s SER 68 Ca 0.17 1.67 -0.06 0.00 1.31 0.00 0.00 55.95 59.04 3ig4 s SER 68 Cb 0.18 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 64.01 3ig4 s SER 68 CO 0.64 -1.31 0.43 -0.69 0.41 0.00 0.00 173.24 172.72 3ig4 s VAL 69 N -2.85 -0.68 -0.21 3.43 1.01 -1.26 -2.58 120.40 117.27 3ig4 s VAL 69 Ca 0.60 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.68 3ig4 s VAL 69 Cb -0.14 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.53 3ig4 s VAL 69 CO 0.49 0.01 -0.14 -1.61 0.00 0.00 0.00 175.10 173.84 3ig4 s GLU 70 N 2.62 2.46 -0.08 2.72 2.02 -0.11 -4.97 118.70 123.36 3ig4 s GLU 70 Ca 0.03 -0.97 -0.07 0.00 0.02 0.00 0.00 54.97 53.99 3ig4 s GLU 70 Cb -0.13 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3ig4 s GLU 70 CO -0.14 -0.38 0.18 -1.21 0.02 0.00 0.00 175.26 173.73 3ig4 s GLU 71 N 1.28 3.49 0.00 1.61 2.02 -1.26 -0.99 118.70 124.84 3ig4 s GLU 71 Ca -0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 3ig4 s GLU 71 Cb -0.16 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 3ig4 s GLU 71 CO -0.09 0.74 0.04 0.99 0.02 0.00 0.00 175.26 176.96 3ig4 s THR 72 N -1.11 0.07 -0.02 3.63 2.01 -1.26 -4.32 115.64 114.64 3ig4 s THR 72 Ca 0.19 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.70 3ig4 s THR 72 Cb -0.13 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 3ig4 s THR 72 CO 0.08 -0.31 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.70 3ig4 s LEU 73 N -0.95 2.05 -0.21 4.42 1.43 -0.68 -4.42 118.68 120.31 3ig4 s LEU 73 Ca -0.10 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3ig4 s LEU 73 Cb -0.06 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 3ig4 s LEU 73 CO -0.00 0.30 -0.08 -0.36 0.23 0.00 0.00 176.35 176.44 3ig4 s PHE 74 N -0.57 2.92 0.43 0.29 0.40 0.10 -0.23 117.98 121.31 3ig4 s PHE 74 Ca 0.09 -1.07 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 3ig4 s PHE 74 Cb -0.10 -2.06 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 3ig4 s PHE 74 CO -0.01 -0.59 0.03 0.96 0.70 0.00 0.00 175.22 176.31 3ig4 s ILE 75 N 1.41 1.87 0.32 0.64 -4.36 0.39 -1.41 121.20 120.06 3ig4 s ILE 75 Ca 0.05 -1.96 -0.27 0.00 -0.26 0.00 0.00 60.65 58.21 3ig4 s ILE 75 Cb -0.14 -2.83 -0.09 0.00 1.25 0.00 0.00 42.46 40.64 3ig4 s ILE 75 CO -0.05 0.00 1.03 -1.61 0.24 0.00 0.00 174.94 174.55 3ig4 s GLU 76 N -3.77 4.51 0.64 0.37 0.41 -1.26 -1.29 118.70 118.30 3ig4 s GLU 76 Ca 0.30 1.57 -0.15 0.00 -0.41 0.00 0.00 54.97 56.28 3ig4 s GLU 76 Cb 0.08 -2.92 -0.01 0.00 -1.78 0.00 0.00 34.13 29.50 3ig4 s GLU 76 CO 0.16 0.16 1.09 0.15 -0.49 0.00 0.00 175.26 176.33 3ig4 s LYS 77 N -1.86 2.96 0.36 1.61 1.02 -1.26 -4.95 119.74 117.62 3ig4 s LYS 77 Ca 0.49 1.33 -0.26 0.00 0.02 0.00 0.00 55.97 57.56 3ig4 s LYS 77 Cb -0.25 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3ig4 s LYS 77 CO 0.32 -1.11 1.07 -1.54 -0.92 0.00 0.00 175.35 173.17 3ig4 s SER 78 N -2.66 6.89 -0.30 2.83 1.04 -1.26 -5.02 113.70 115.22 3ig4 s SER 78 Ca 0.66 2.13 -0.00 0.00 0.48 0.00 0.00 55.95 59.22 3ig4 s SER 78 Cb -0.19 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.42 3ig4 s SER 78 CO 0.40 -0.40 0.08 -0.62 0.98 0.00 0.00 173.24 173.68 3ig4 s ASP 79 N -1.32 4.04 0.58 7.02 2.15 -1.26 -5.02 116.67 122.85 3ig4 s ASP 79 Ca 0.54 -1.62 0.28 0.00 0.43 0.00 0.00 52.55 52.18 3ig4 s ASP 79 Cb -0.26 -0.95 1.56 0.00 -0.30 0.00 0.00 42.92 42.97 3ig4 s ASP 79 CO 0.33 -0.39 2.02 -0.65 -0.17 0.00 0.00 175.17 176.30 3ig4 h PRO 80 N 8.04 0.00 -0.92 4.34 0.11 -2.01 -2.19 132.00 139.37 3ig4 h PRO 80 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3ig4 h PRO 80 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ig4 h PRO 80 CO 0.47 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.54 3ig4 n VAL 81 N -3.86 0.20 0.00 3.15 0.31 -1.26 -3.94 118.33 112.93 3ig4 n VAL 81 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3ig4 n VAL 81 Cb 0.46 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.20 0.00 0.09 5.55 1.02 -0.83 -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 0.26 -0.23 0.15 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.02 3.49 1.57 -1.86 -2.89 116.57 116.90 3ig4 h LYS 84 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 3ig4 h LYS 84 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3ig4 h LYS 84 CO 0.00 0.00 -2.37 0.91 -0.57 0.00 0.00 179.45 177.42 3ig4 n TRP 85 N -2.34 0.22 -0.01 -1.35 7.02 -1.25 -4.79 117.44 114.93 3ig4 n TRP 85 Ca 0.03 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 3ig4 n TRP 85 Cb 0.47 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.34 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 -3.59 0.00 0.00 -0.99 0.31 -1.26 -5.14 118.33 107.66 3ig4 n VAL 86 Ca -0.46 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 3ig4 n VAL 86 Cb 0.96 1.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.90 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 0.79 -0.08 3.77 2.92 0.00 -1.09 -4.98 105.19 106.53 3ig4 n GLY 87 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.21 4.39 0.60 1.61 1.02 -1.26 -4.29 119.74 120.59 3ig4 s LYS 88 Ca 0.00 1.64 -0.05 0.00 0.02 0.00 0.00 55.97 57.58 3ig4 s LYS 88 Cb 0.00 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3ig4 s LYS 88 CO 0.00 0.03 0.90 0.95 -0.92 0.00 0.00 175.35 176.31 3ig4 s THR 89 N -1.42 3.49 0.41 2.17 -4.23 -1.26 -5.01 115.64 109.78 3ig4 s THR 89 Ca 0.52 -0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.71 3ig4 s THR 89 Cb -0.27 -3.39 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 3ig4 s THR 89 CO 0.34 -0.40 1.01 0.55 -0.54 0.00 0.00 174.62 175.58 3ig4 n VAL 90 N -2.59 2.37 -3.64 2.29 3.14 -1.26 -4.97 118.33 113.67 3ig4 n VAL 90 Ca 0.05 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.71 3ig4 n VAL 90 Cb 0.58 -1.14 -0.01 0.00 -1.06 0.00 0.00 33.84 32.21 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 -0.71 6.24 0.21 6.55 1.04 -1.26 -4.82 113.70 120.95 3ig4 s SER 91 Ca 0.62 0.20 -0.18 0.00 0.48 0.00 0.00 55.95 57.08 3ig4 s SER 91 Cb -0.57 -1.84 0.19 0.00 0.10 0.00 0.00 66.02 63.90 3ig4 s SER 91 CO 0.57 -0.23 1.45 -3.20 0.98 0.00 0.00 173.24 172.81 3ig4 n ASN 92 N -1.62 -0.65 -0.01 7.02 5.15 -1.26 -0.88 115.26 123.01 3ig4 n ASN 92 Ca -0.06 1.64 -0.17 0.00 -0.60 0.00 0.00 54.58 55.39 3ig4 n ASN 92 Cb 0.57 -0.36 -0.07 0.00 -0.53 0.00 0.00 39.78 39.39 3ig4 n ASN 92 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3ig4 h GLU 93 N 0.00 0.77 -0.69 1.20 5.08 -1.99 -3.01 114.58 115.94 3ig4 h GLU 93 Ca 0.31 -0.64 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3ig4 h GLU 93 Cb 0.54 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3ig4 h GLU 93 CO -0.92 1.25 0.45 0.93 -1.00 0.00 0.00 179.01 179.71 3ig4 h GLU 94 N 0.52 0.87 -0.78 2.33 5.08 -1.76 -1.55 114.58 119.28 3ig4 h GLU 94 Ca -0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3ig4 h GLU 94 Cb 1.43 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3ig4 h GLU 94 CO 0.16 0.57 0.34 0.00 -1.00 0.00 0.00 179.01 179.09 3ig4 h ALA 95 N 1.27 1.12 -0.23 3.43 0.00 -0.98 0.01 119.26 123.88 3ig4 h ALA 95 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ig4 h ALA 95 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3ig4 h ALA 95 CO -0.08 0.64 -0.07 1.49 0.00 0.00 0.00 179.25 181.23 3ig4 h GLU 96 N 1.13 0.46 -0.50 0.00 4.81 -1.36 -2.13 114.58 116.99 3ig4 h GLU 96 Ca 0.27 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3ig4 h GLU 96 Cb 0.17 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3ig4 h GLU 96 CO -0.03 0.70 0.29 -0.22 -0.73 0.00 0.00 179.01 179.02 3ig4 h LYS 97 N 0.19 0.55 -0.25 1.92 3.11 -0.81 -0.43 116.57 120.86 3ig4 h LYS 97 Ca 0.06 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 3ig4 h LYS 97 Cb 0.54 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 3ig4 h LYS 97 CO 0.03 0.36 -0.23 0.82 -2.81 0.00 0.00 179.45 177.62 3ig4 h ILE 98 N 0.57 1.31 0.00 2.00 2.04 -0.98 -3.35 117.51 119.10 3ig4 h ILE 98 Ca 0.20 -1.38 -0.19 0.00 1.00 0.00 0.00 64.86 64.49 3ig4 h ILE 98 Cb 0.05 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ig4 h ILE 98 CO -0.11 0.43 -1.70 -1.54 0.00 0.00 0.00 178.15 175.24 3ig4 n SER 99 N -4.37 0.57 0.00 1.72 3.41 -0.81 -3.85 113.62 110.30 3ig4 n SER 99 Ca -0.04 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3ig4 n SER 99 Cb 0.43 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 1.46 0.85 3.66 5.00 0.00 -0.17 -4.36 105.19 111.62 3ig4 n GLY 100 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.39 4.88 0.05 -0.61 1.01 -1.25 -4.98 121.20 116.92 3ig4 s ILE 101 Ca 0.00 1.54 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3ig4 s ILE 101 Cb 0.00 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 3ig4 s ILE 101 CO 0.00 0.00 1.24 0.50 0.00 0.00 0.00 174.94 176.68 3ig4 h LYS 102 N 7.48 0.55 -5.77 2.79 3.64 -1.89 -3.40 116.57 119.97 3ig4 h LYS 102 Ca -0.27 -0.45 -0.63 0.00 -1.27 0.00 0.00 60.65 58.03 3ig4 h LYS 102 Cb 1.12 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 3ig4 h LYS 102 CO 0.84 1.07 0.35 0.21 -2.27 0.00 0.00 179.45 179.65 3ig4 s LYS 103 N -3.69 3.43 -0.17 1.90 2.20 -1.26 -4.99 119.74 117.16 3ig4 s LYS 103 Ca -0.12 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3ig4 s LYS 103 Cb 0.06 -3.93 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 3ig4 s LYS 103 CO 0.83 -1.10 -0.15 0.08 -0.36 0.00 0.00 175.35 174.66 3ig4 s VAL 104 N 3.27 1.75 0.00 4.02 1.01 -1.26 -1.68 120.40 127.50 3ig4 s VAL 104 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3ig4 s VAL 104 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3ig4 s VAL 104 CO 0.22 0.42 0.00 2.30 0.00 0.00 0.00 175.10 178.04 3ig4 n ILE 105 N 4.70 0.00 -4.23 2.22 -5.35 0.68 -4.98 119.36 112.40 3ig4 n ILE 105 Ca -0.18 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.01 3ig4 n ILE 105 Cb 0.49 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.30 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 -1.30 2.74 0.31 4.28 2.02 -1.26 -0.46 117.35 123.68 3ig4 s TYR 106 Ca 0.00 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 3ig4 s TYR 106 Cb 0.00 -1.41 0.64 0.00 -0.40 0.00 0.00 41.96 40.79 3ig4 s TYR 106 CO 0.00 0.45 1.86 -0.07 -1.57 0.00 0.00 175.55 176.22 3ig4 h LEU 107 N 3.41 0.84 0.00 -1.29 3.38 -1.47 -0.95 115.31 119.22 3ig4 h LEU 107 Ca -0.48 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ig4 h LEU 107 Cb 1.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ig4 h LEU 107 CO 0.53 0.45 0.00 -0.90 0.09 0.00 0.00 178.44 178.61 3ig4 n ASP 108 N -4.59 0.00 -0.25 -0.43 5.68 -1.26 0.15 116.55 115.86 3ig4 n ASP 108 Ca 0.18 -0.07 0.02 0.00 -0.50 0.00 0.00 54.79 54.42 3ig4 n ASP 108 Cb 0.37 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.36 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 -1.05 2.35 -0.08 -1.12 3.41 -0.36 -4.72 113.62 112.05 3ig4 n SER 109 Ca 0.03 -1.99 -0.14 0.00 -0.26 0.00 0.00 58.87 56.51 3ig4 n SER 109 Cb 0.02 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.79 0.77 -0.39 7.33 3.57 -0.38 -2.89 116.94 125.74 3ig4 h PHE 110 Ca 0.00 -0.25 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 3ig4 h PHE 110 Cb 0.59 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3ig4 h PHE 110 CO 0.09 0.99 0.12 0.93 -2.23 0.00 0.00 178.31 178.21 3ig4 h GLU 111 N 0.34 0.61 -0.25 1.11 5.08 -1.85 -2.15 114.58 117.47 3ig4 h GLU 111 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ig4 h GLU 111 Cb 0.89 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3ig4 h GLU 111 CO 0.07 0.61 0.10 -0.22 -1.00 0.00 0.00 179.01 178.57 3ig4 h LYS 112 N 0.48 0.35 -1.62 2.33 3.64 -1.89 -1.91 116.57 117.95 3ig4 h LYS 112 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ig4 h LYS 112 Cb 0.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ig4 h LYS 112 CO -0.00 0.30 0.00 2.41 -2.27 0.00 0.00 179.45 179.88 3ig4 n THR 113 N -4.43 0.71 0.00 1.00 -1.04 -0.81 -1.92 114.28 107.79 3ig4 n THR 113 Ca 0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3ig4 n THR 113 Cb 0.13 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 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 1.04 0.00 -0.16 8.00 7.64 -0.72 -1.09 113.62 128.32 3ig4 n SER 115 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3ig4 n SER 115 Cb 0.27 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.93 -0.48 6.43 -0.26 -1.67 -2.22 115.58 118.30 3ig4 h ASN 116 Ca 0.00 -0.36 -0.02 0.00 -0.56 0.00 0.00 56.30 55.37 3ig4 h ASN 116 Cb 0.00 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 3ig4 h ASN 116 CO 0.00 1.07 0.24 0.40 -1.06 0.00 0.00 177.43 178.08 3ig4 h ILE 117 N 0.77 1.19 0.00 2.81 5.03 -1.39 -0.85 117.51 125.07 3ig4 h ILE 117 Ca 0.12 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 3ig4 h ILE 117 Cb 0.66 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 3ig4 h ILE 117 CO 0.05 0.20 -0.73 0.49 -0.68 0.00 0.00 178.15 177.48 3ig4 n PHE 118 N -4.63 0.30 -0.01 1.37 3.72 -1.22 -3.04 117.46 113.96 3ig4 n PHE 118 Ca 0.02 0.09 -0.01 0.00 -0.05 0.00 0.00 57.45 57.49 3ig4 n PHE 118 Cb 0.11 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.89 0.00 -0.10 1.38 7.35 -0.84 -4.48 117.46 118.88 3ig4 n PHE 119 Ca 0.03 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.66 3ig4 n PHE 119 Cb 0.41 -0.07 0.01 0.00 0.35 0.00 0.00 39.48 40.18 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 0.94 -0.24 -2.13 2.02 -1.37 -2.50 112.91 109.49 3ig4 h THR 120 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3ig4 h THR 120 Cb 0.15 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3ig4 h THR 120 CO 0.00 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 175.33 3ig4 n GLU 121 N -4.98 1.81 -3.79 6.66 1.02 -0.44 -4.95 120.64 115.97 3ig4 n GLU 121 Ca 0.01 -1.22 -0.29 0.00 -0.02 0.00 0.00 57.16 55.63 3ig4 n GLU 121 Cb 0.11 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.46 -3.27 -4.75 1.62 5.03 -0.94 -4.90 115.26 108.50 3ig4 n ASN 122 Ca 0.15 -0.68 -0.41 0.00 0.87 0.00 0.00 54.58 54.51 3ig4 n ASN 122 Cb 0.34 -2.71 -0.02 0.00 -1.02 0.00 0.00 39.78 36.37 3ig4 n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ig4 s VAL 123 N -3.05 2.76 -0.06 2.41 1.01 -1.17 -4.93 120.40 117.37 3ig4 s VAL 123 Ca 0.57 0.69 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3ig4 s VAL 123 Cb -0.31 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3ig4 s VAL 123 CO 0.70 0.13 0.07 0.29 0.00 0.00 0.00 175.10 176.29 3ig4 n LYS 124 N 1.72 4.02 -3.87 2.72 5.02 -1.26 -4.86 118.16 121.66 3ig4 n LYS 124 Ca 0.04 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 3ig4 n LYS 124 Cb 0.41 -0.76 -0.16 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.54 1.60 -0.08 2.13 2.46 -1.26 0.72 115.29 119.33 3ig4 s HIS 125 Ca 0.00 -1.06 0.04 0.00 0.47 0.00 0.00 55.06 54.51 3ig4 s HIS 125 Cb 0.01 -1.27 -0.01 0.00 -0.13 0.00 0.00 32.58 31.18 3ig4 s HIS 125 CO 0.08 -0.61 -0.19 -1.17 -2.47 0.00 0.00 174.74 170.37 3ig4 s LEU 126 N 1.66 2.39 -0.10 8.88 2.96 0.69 -1.20 118.68 133.95 3ig4 s LEU 126 Ca 0.00 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3ig4 s LEU 126 Cb -0.16 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3ig4 s LEU 126 CO -0.07 0.23 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.78 3ig4 s TYR 127 N -0.08 2.86 0.19 5.38 2.02 0.87 0.36 117.35 128.95 3ig4 s TYR 127 Ca -0.04 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 3ig4 s TYR 127 Cb -0.14 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3ig4 s TYR 127 CO 0.04 0.03 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.38 3ig4 s LEU 128 N -0.12 2.52 -0.76 -1.29 1.43 -0.43 -1.53 118.68 118.50 3ig4 s LEU 128 Ca 0.00 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 3ig4 s LEU 128 Cb -0.13 -0.71 0.06 0.00 0.03 0.00 0.00 46.19 45.43 3ig4 s LEU 128 CO 0.03 -0.13 1.17 -0.62 0.23 0.00 0.00 176.35 177.03 3ig4 s ASP 129 N -3.11 6.24 -1.03 2.29 -1.08 -1.26 -0.54 116.67 118.19 3ig4 s ASP 129 Ca 0.20 -0.89 -0.04 0.00 -0.52 0.00 0.00 52.55 51.30 3ig4 s ASP 129 Cb -0.02 -2.50 0.28 0.00 -1.46 0.00 0.00 42.92 39.22 3ig4 s ASP 129 CO 0.07 -1.59 1.22 0.18 0.52 0.00 0.00 175.17 175.56 3ig4 n LEU 130 N 8.48 5.63 -4.58 -1.34 4.77 -1.26 -4.90 117.00 123.80 3ig4 n LEU 130 Ca 0.05 -5.17 -0.43 0.00 -0.03 0.00 0.00 56.01 50.43 3ig4 n LEU 130 Cb 0.48 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 3ig4 n LEU 130 CO 0.66 1.60 0.87 -0.70 -1.33 0.00 0.00 177.39 178.50 3ig4 s GLU 131 N -2.12 3.60 -0.30 3.23 2.12 -1.26 -4.91 118.70 119.06 3ig4 s GLU 131 Ca 0.31 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.95 3ig4 s GLU 131 Cb -0.00 -3.92 0.10 0.00 0.26 0.00 0.00 34.13 30.56 3ig4 s GLU 131 CO 0.01 -1.31 0.08 0.00 -0.54 0.00 0.00 175.26 173.50 3ig4 n ARG 133 N 4.82 0.04 -4.33 0.00 1.74 -1.26 -4.83 116.66 112.84 3ig4 n ARG 133 Ca -0.03 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 3ig4 n ARG 133 Cb 0.42 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.03 1.24 0.27 5.56 0.41 -1.26 -5.02 118.70 116.88 3ig4 s GLU 134 Ca 0.10 -0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.38 3ig4 s GLU 134 Cb 0.17 -1.13 0.34 0.00 -1.78 0.00 0.00 34.13 31.74 3ig4 s GLU 134 CO 0.71 -0.05 1.94 2.35 -0.49 0.00 0.00 175.26 179.72 3ig4 h TRP 135 N 7.15 1.16 -0.60 1.61 2.91 -2.05 -1.68 115.95 124.45 3ig4 h TRP 135 Ca -0.34 0.02 -0.25 0.00 1.13 0.00 0.00 58.89 59.45 3ig4 h TRP 135 Cb 1.17 -0.39 -0.15 0.00 -0.51 0.00 0.00 29.16 29.27 3ig4 h TRP 135 CO 0.49 0.74 0.21 1.63 -1.03 0.00 0.00 178.44 180.47 3ig4 n LYS 136 N -4.39 2.52 -0.59 2.65 5.02 -1.26 -4.99 118.16 117.12 3ig4 n LYS 136 Ca 0.11 -3.07 -0.31 0.00 -2.02 0.00 0.00 58.31 53.02 3ig4 n LYS 136 Cb 0.02 -2.01 0.20 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.83 -2.46 3.77 0.72 0.00 -0.64 -5.02 105.19 100.73 3ig4 n GLY 137 Ca 0.40 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.26 4.50 0.29 2.61 -1.32 -1.26 -5.06 115.64 113.14 3ig4 s THR 138 Ca 0.59 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 3ig4 s THR 138 Cb -0.15 -3.19 -0.13 0.00 -1.51 0.00 0.00 72.50 67.53 3ig4 s THR 138 CO 0.64 0.08 1.39 1.21 -2.21 0.00 0.00 174.62 175.74 3ig4 n GLU 139 N 0.32 2.20 -4.45 7.08 2.13 -1.26 -5.00 120.64 121.66 3ig4 n GLU 139 Ca -0.09 0.78 -0.26 0.00 0.66 0.00 0.00 57.16 58.25 3ig4 n GLU 139 Cb 0.52 -2.42 -0.10 0.00 0.27 0.00 0.00 31.44 29.71 3ig4 n GLU 139 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3ig4 s THR 140 N -0.52 2.30 0.23 6.31 -4.23 -1.26 -4.98 115.64 113.49 3ig4 s THR 140 Ca 0.62 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3ig4 s THR 140 Cb -0.59 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 70.62 3ig4 s THR 140 CO 0.55 -0.12 1.71 0.11 -0.54 0.00 0.00 174.62 176.33 3ig4 h LYS 141 N 1.81 0.32 0.07 3.99 1.57 -1.98 0.13 116.57 122.47 3ig4 h LYS 141 Ca -0.43 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ig4 h LYS 141 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3ig4 h LYS 141 CO 0.72 0.21 -0.03 1.15 -0.57 0.00 0.00 179.45 180.93 3ig4 h THR 142 N 0.33 1.03 -0.27 -0.16 2.02 -1.95 0.11 112.91 114.01 3ig4 h THR 142 Ca 0.39 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ig4 h THR 142 Cb 0.61 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3ig4 h THR 142 CO -0.44 0.08 0.03 -0.07 0.37 0.00 0.00 175.52 175.49 3ig4 h LEU 143 N -0.24 0.37 -0.42 2.58 3.38 -1.77 0.70 115.31 119.91 3ig4 h LEU 143 Ca -0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3ig4 h LEU 143 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ig4 h LEU 143 CO 0.02 0.41 -0.26 0.00 0.09 0.00 0.00 178.44 178.69 3ig4 h ALA 144 N 1.64 0.60 -0.33 1.53 0.00 -0.48 -0.68 119.26 121.55 3ig4 h ALA 144 Ca 0.09 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ig4 h ALA 144 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ig4 h ALA 144 CO 0.00 0.61 0.15 0.35 0.00 0.00 0.00 179.25 180.36 3ig4 h PHE 145 N 0.74 0.28 -0.45 0.00 3.04 0.13 -0.71 116.94 119.97 3ig4 h PHE 145 Ca 0.09 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.08 3ig4 h PHE 145 Cb 0.84 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 3ig4 h PHE 145 CO 0.06 0.15 0.23 0.00 -2.02 0.00 0.00 178.31 176.72 3ig4 h ALA 146 N 1.18 0.56 -0.80 2.41 0.00 -0.65 -0.84 119.26 121.12 3ig4 h ALA 146 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ig4 h ALA 146 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ig4 h ALA 146 CO -0.10 -0.12 0.53 -0.22 0.00 0.00 0.00 179.25 179.34 3ig4 h LYS 147 N 0.46 1.05 -0.35 0.00 3.64 -0.84 -0.72 116.57 119.81 3ig4 h LYS 147 Ca 0.19 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ig4 h LYS 147 Cb 0.09 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3ig4 h LYS 147 CO -0.13 0.70 0.23 1.25 -2.27 0.00 0.00 179.45 179.22 3ig4 h HIS 148 N 1.08 0.43 -0.87 1.91 2.76 -0.54 -0.65 115.15 119.28 3ig4 h HIS 148 Ca 0.29 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.53 3ig4 h HIS 148 Cb -0.12 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 3ig4 h HIS 148 CO -0.02 0.27 0.57 0.28 -1.30 0.00 0.00 177.93 177.73 3ig4 h VAL 149 N 0.46 1.08 -0.42 5.26 2.07 -0.58 -1.03 116.25 123.10 3ig4 h VAL 149 Ca 0.13 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 3ig4 h VAL 149 Cb -0.05 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3ig4 h VAL 149 CO -0.03 0.18 -0.13 -0.09 0.02 0.00 0.00 177.57 177.52 3ig4 h ARG 150 N 1.00 0.77 -0.14 1.57 2.43 -0.25 0.22 114.38 119.97 3ig4 h ARG 150 Ca 0.36 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3ig4 h ARG 150 Cb 0.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ig4 h ARG 150 CO -0.13 0.86 -0.25 0.93 -1.51 0.00 0.00 179.97 179.87 3ig4 h GLU 151 N 0.69 0.41 0.01 0.20 5.08 0.06 -3.08 114.58 117.96 3ig4 h GLU 151 Ca 0.11 -0.26 -0.26 0.00 -1.00 0.00 0.00 59.36 57.96 3ig4 h GLU 151 Cb 0.61 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3ig4 h GLU 151 CO 0.04 0.85 -1.36 1.96 -1.00 0.00 0.00 179.01 179.51 3ig4 h GLN 152 N 0.01 0.03 -2.10 2.33 1.08 -1.22 -3.40 115.11 111.84 3ig4 h GLN 152 Ca 0.01 -0.05 -0.54 0.00 -1.45 0.00 0.00 58.65 56.62 3ig4 h GLN 152 Cb 0.83 0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 27.87 3ig4 h GLN 152 CO 0.06 0.80 -0.97 0.66 -0.95 0.00 0.00 178.83 178.43 3ig4 n TYR 153 N -3.23 1.47 0.22 2.96 4.01 0.75 -4.95 117.16 118.39 3ig4 n TYR 153 Ca -0.09 -3.85 0.13 0.00 -0.16 0.00 0.00 57.90 53.92 3ig4 n TYR 153 Cb 1.00 -0.44 0.66 0.00 -0.31 0.00 0.00 39.34 40.25 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 3.32 0.00 0.00 -0.72 0.13 -1.67 0.45 132.00 133.52 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 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3ig4 h PRO 154 CO 0.61 0.00 -0.35 -2.39 -0.23 0.00 0.00 178.00 175.65 3ig4 n HIS 155 N -2.38 0.68 -2.46 1.56 1.44 -1.26 -4.84 115.22 107.95 3ig4 n HIS 155 Ca -0.01 0.20 -0.42 0.00 -2.01 0.00 0.00 57.72 55.48 3ig4 n HIS 155 Cb 0.07 -0.76 -0.03 0.00 0.12 0.00 0.00 29.99 29.39 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 -3.13 4.11 -0.13 0.61 1.01 0.15 -4.96 120.40 118.07 3ig4 s VAL 156 Ca 0.08 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 3ig4 s VAL 156 Cb 0.13 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3ig4 s VAL 156 CO 0.66 0.13 0.63 -0.89 0.00 0.00 0.00 175.10 175.63 3ig4 s THR 157 N 0.97 5.07 -0.19 3.92 2.01 0.22 -4.94 115.64 122.70 3ig4 s THR 157 Ca 0.57 1.25 -0.10 0.00 0.31 0.00 0.00 61.69 63.73 3ig4 s THR 157 Cb -0.29 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 3ig4 s THR 157 CO 0.29 0.21 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 3ig4 s ILE 158 N 1.17 5.39 0.25 1.82 1.01 -1.26 -0.22 121.20 129.35 3ig4 s ILE 158 Ca 0.32 0.18 0.10 0.00 0.00 0.00 0.00 60.65 61.25 3ig4 s ILE 158 Cb -0.16 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3ig4 s ILE 158 CO 0.13 0.46 -0.18 -0.83 0.00 0.00 0.00 174.94 174.52 3ig4 s GLY 159 N 0.20 1.70 -0.28 6.18 0.00 0.16 -4.96 107.32 110.32 3ig4 s GLY 159 Ca 0.09 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 3ig4 s GLY 159 CO -0.01 -1.87 0.12 0.21 0.00 0.00 0.00 173.10 171.55 3ig4 s ASN 160 N -3.38 5.39 0.01 1.64 2.47 -1.26 -1.32 114.94 118.50 3ig4 s ASN 160 Ca 0.26 -0.37 0.24 0.00 0.42 0.00 0.00 52.86 53.42 3ig4 s ASN 160 Cb -0.04 -1.97 0.32 0.00 -1.45 0.00 0.00 41.25 38.11 3ig4 s ASN 160 CO 0.12 -0.12 1.28 0.55 -3.72 0.00 0.00 177.10 175.21 3ig4 n VAL 161 N 4.96 0.04 -0.22 -5.21 3.14 0.30 -4.39 118.33 116.94 3ig4 n VAL 161 Ca -0.15 -0.04 -0.11 0.00 -2.96 0.00 0.00 64.34 61.08 3ig4 n VAL 161 Cb 0.50 0.35 -0.07 0.00 -1.06 0.00 0.00 33.84 33.56 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 0.00 -1.57 -0.66 1.45 3.20 -1.91 -1.24 116.97 116.24 3ig4 h TYR 162 Ca 0.00 0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.07 3ig4 h TYR 162 Cb 0.54 0.76 -0.08 0.00 1.54 0.00 0.00 36.73 39.49 3ig4 h TYR 162 CO 0.00 -0.44 0.25 -1.35 -1.64 0.00 0.00 178.16 174.97 3ig4 h PRO 163 N -0.25 0.41 -0.49 1.82 0.11 -1.97 -0.85 132.00 130.77 3ig4 h PRO 163 Ca 0.14 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.32 3ig4 h PRO 163 Cb 0.55 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 31.48 3ig4 h PRO 163 CO -0.70 0.27 -0.11 -0.91 -0.21 0.00 0.00 178.00 176.33 3ig4 h ASN 164 N 0.42 -0.44 -0.01 -2.05 -0.26 -1.51 -1.48 115.58 110.25 3ig4 h ASN 164 Ca 0.34 0.15 -0.22 0.00 -0.56 0.00 0.00 56.30 56.01 3ig4 h ASN 164 Cb 0.46 0.30 0.01 0.00 -1.06 0.00 0.00 38.32 38.02 3ig4 h ASN 164 CO -0.34 -0.16 -0.79 0.40 -1.06 0.00 0.00 177.43 175.48 3ig4 h ILE 165 N 0.01 1.31 -0.97 2.81 2.04 -0.80 -3.05 117.51 118.86 3ig4 h ILE 165 Ca 0.24 -2.05 0.05 0.00 1.00 0.00 0.00 64.86 64.09 3ig4 h ILE 165 Cb 0.36 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 3ig4 h ILE 165 CO -0.50 0.64 0.63 0.00 0.00 0.00 0.00 178.15 178.92 3ig4 h GLU 167 N 1.18 0.00 0.13 0.00 4.57 -1.17 -1.75 114.58 117.54 3ig4 h GLU 167 Ca 0.40 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.28 3ig4 h GLU 167 Cb 0.08 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3ig4 h GLU 167 CO -0.15 0.07 -1.26 -0.07 -1.18 0.00 0.00 179.01 176.42 3ig4 h LEU 168 N 0.00 0.80 -1.71 1.64 4.07 -1.28 -3.30 115.31 115.53 3ig4 h LEU 168 Ca -0.00 -0.76 -0.02 0.00 0.08 0.00 0.00 57.88 57.19 3ig4 h LEU 168 Cb 0.54 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 3ig4 h LEU 168 CO 0.01 1.57 -0.07 0.03 -1.08 0.00 0.00 178.44 178.90 3ig4 h ARG 169 N 0.24 0.00 0.00 1.13 3.08 -0.52 -2.29 114.38 116.02 3ig4 h ARG 169 Ca -0.18 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ig4 h ARG 169 Cb 1.93 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 3ig4 h ARG 169 CO 0.23 0.07 -0.02 0.28 -1.07 0.00 0.00 179.97 179.47 3ig4 h VAL 170 N 0.00 0.79 -3.61 2.04 2.07 -1.53 -3.38 116.25 112.63 3ig4 h VAL 170 Ca -0.00 -0.06 -0.70 0.00 0.82 0.00 0.00 66.70 66.76 3ig4 h VAL 170 Cb 0.45 1.03 -0.28 0.00 -1.52 0.00 0.00 31.29 30.97 3ig4 h VAL 170 CO 0.01 0.01 -0.56 -0.36 0.02 0.00 0.00 177.57 176.69 3ig4 s PHE 171 N -4.83 3.29 0.23 1.57 0.08 -0.86 -4.42 117.98 113.04 3ig4 s PHE 171 Ca -0.05 -1.45 -0.14 0.00 0.12 0.00 0.00 56.93 55.42 3ig4 s PHE 171 Cb 0.16 -2.49 -0.08 0.00 -0.57 0.00 0.00 43.02 40.04 3ig4 s PHE 171 CO 0.62 -0.76 0.62 0.15 -0.10 0.00 0.00 175.22 175.75 3ig4 s LYS 172 N 1.41 3.98 0.50 0.44 -0.14 -0.14 -5.01 119.74 120.77 3ig4 s LYS 172 Ca 0.00 0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 55.13 3ig4 s LYS 172 Cb -0.20 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 3ig4 s LYS 172 CO 0.03 0.34 0.75 0.95 -0.76 0.00 0.00 175.35 176.65 3ig4 s THR 173 N -1.71 3.74 0.25 2.17 -4.23 -1.26 -4.77 115.64 109.83 3ig4 s THR 173 Ca 0.46 -0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3ig4 s THR 173 Cb -0.13 -3.41 0.22 0.00 1.34 0.00 0.00 72.50 70.52 3ig4 s THR 173 CO 0.20 -0.33 1.76 0.44 -0.54 0.00 0.00 174.62 176.15 3ig4 h ASP 174 N 0.19 0.48 -0.87 3.99 3.32 -1.98 0.00 116.42 121.55 3ig4 h ASP 174 Ca -0.45 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3ig4 h ASP 174 Cb 1.26 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3ig4 h ASP 174 CO 0.58 0.22 0.51 -0.33 -1.72 0.00 0.00 179.24 178.49 3ig4 h GLU 175 N 0.60 1.21 -0.00 3.56 3.07 -2.00 0.44 114.58 121.45 3ig4 h GLU 175 Ca 0.43 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3ig4 h GLU 175 Cb 0.58 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3ig4 h GLU 175 CO -0.35 0.86 0.00 0.93 -1.40 0.00 0.00 179.01 179.06 3ig4 h GLU 176 N 1.22 0.00 -0.81 2.33 5.08 -1.64 -2.81 114.58 117.95 3ig4 h GLU 176 Ca 0.31 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.81 3ig4 h GLU 176 Cb -0.01 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3ig4 h GLU 176 CO -0.05 0.24 0.53 0.82 -1.00 0.00 0.00 179.01 179.55 3ig4 h ILE 177 N -0.23 0.83 -0.48 3.13 2.04 -0.46 -1.07 117.51 121.26 3ig4 h ILE 177 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ig4 h ILE 177 Cb 0.24 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3ig4 h ILE 177 CO 0.00 0.10 0.32 -0.33 0.00 0.00 0.00 178.15 178.24 3ig4 h GLU 178 N 0.57 0.64 -0.20 2.37 4.39 -0.67 -1.26 114.58 120.43 3ig4 h GLU 178 Ca 0.40 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 3ig4 h GLU 178 Cb 0.74 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3ig4 h GLU 178 CO -0.16 0.43 0.06 0.82 -1.16 0.00 0.00 179.01 179.01 3ig4 h ILE 179 N 0.66 1.19 -0.82 3.13 2.04 -1.10 -0.25 117.51 122.36 3ig4 h ILE 179 Ca 0.18 -0.60 0.17 0.00 1.00 0.00 0.00 64.86 65.60 3ig4 h ILE 179 Cb -0.06 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3ig4 h ILE 179 CO -0.04 0.19 0.36 0.40 0.00 0.00 0.00 178.15 179.06 3ig4 h ILE 180 N 0.14 0.61 -0.67 -0.67 2.04 -1.32 0.34 117.51 118.00 3ig4 h ILE 180 Ca 0.06 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3ig4 h ILE 180 Cb 0.24 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3ig4 h ILE 180 CO -0.00 0.09 0.44 0.11 0.00 0.00 0.00 178.15 178.78 3ig4 h LYS 181 N 0.47 0.87 -0.37 2.37 1.57 0.04 0.05 116.57 121.57 3ig4 h LYS 181 Ca 0.47 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 3ig4 h LYS 181 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3ig4 h LYS 181 CO -0.44 0.58 0.18 0.93 -0.57 0.00 0.00 179.45 180.13 3ig4 h GLU 182 N 0.90 0.53 -0.08 3.15 5.08 0.60 0.45 114.58 125.20 3ig4 h GLU 182 Ca 0.25 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3ig4 h GLU 182 Cb -0.09 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 3ig4 h GLU 182 CO -0.06 0.47 -0.30 0.00 -1.00 0.00 0.00 179.01 178.13 3ig4 h ALA 183 N 1.03 -0.37 -0.48 3.43 0.00 -0.37 -1.07 119.26 121.44 3ig4 h ALA 183 Ca 0.13 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3ig4 h ALA 183 Cb 0.12 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3ig4 h ALA 183 CO -0.02 -0.79 0.01 0.82 0.00 0.00 0.00 179.25 179.28 3ig4 h ILE 184 N -0.40 0.64 -0.40 0.00 2.04 -0.83 -0.82 117.51 117.73 3ig4 h ILE 184 Ca 0.08 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.99 3ig4 h ILE 184 Cb 0.53 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 3ig4 h ILE 184 CO -0.31 0.02 -0.18 0.00 0.00 0.00 0.00 178.15 177.68 3ig4 h ALA 185 N 1.42 0.13 -0.37 1.87 0.00 0.28 0.13 119.26 122.71 3ig4 h ALA 185 Ca 0.24 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3ig4 h ALA 185 Cb 0.36 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ig4 h ALA 185 CO -0.39 -0.54 -0.17 0.28 0.00 0.00 0.00 179.25 178.43 3ig4 h VAL 186 N -0.11 1.26 -0.15 0.00 2.07 -0.70 -2.20 116.25 116.42 3ig4 h VAL 186 Ca 0.20 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3ig4 h VAL 186 Cb 0.41 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3ig4 h VAL 186 CO -0.47 0.41 -0.16 0.74 0.02 0.00 0.00 177.57 178.11 3ig4 h THR 187 N 0.62 0.57 -0.45 2.57 2.02 0.08 0.18 112.91 118.50 3ig4 h THR 187 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.37 3ig4 h THR 187 Cb 0.63 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 3ig4 h THR 187 CO 0.04 0.00 -0.10 0.50 0.37 0.00 0.00 175.52 176.33 3ig4 h LYS 188 N -0.18 0.01 -0.90 6.66 3.64 -0.21 0.13 116.57 125.71 3ig4 h LYS 188 Ca 0.10 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3ig4 h LYS 188 Cb 0.34 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 3ig4 h LYS 188 CO -0.26 0.01 0.56 -0.44 -2.27 0.00 0.00 179.45 177.04 3ig4 h ASP 189 N 0.01 0.89 -0.44 4.20 3.32 -0.84 0.55 116.42 124.11 3ig4 h ASP 189 Ca 0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ig4 h ASP 189 Cb 0.33 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3ig4 h ASP 189 CO -0.46 0.58 0.29 1.23 -1.72 0.00 0.00 179.24 179.16 3ig4 h GLY 190 N 1.03 0.63 0.86 2.75 0.00 0.11 -0.94 103.07 107.51 3ig4 h GLY 190 Ca 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3ig4 h GLY 190 CO -0.17 0.23 0.05 -2.22 0.00 0.00 0.00 176.54 174.44 3ig4 h ILE 191 N 0.60 1.17 -0.75 2.60 2.04 -0.01 -1.77 117.51 121.39 3ig4 h ILE 191 Ca 0.16 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.56 3ig4 h ILE 191 Cb -0.06 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3ig4 h ILE 191 CO -0.03 0.16 0.44 1.88 0.00 0.00 0.00 178.15 180.60 3ig4 h TYR 192 N 0.08 0.82 -0.74 1.37 0.05 -0.78 0.28 116.97 118.04 3ig4 h TYR 192 Ca 0.05 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.91 3ig4 h TYR 192 Cb 0.20 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 3ig4 h TYR 192 CO -0.01 0.41 0.49 -0.97 -1.05 0.00 0.00 178.16 177.03 3ig4 h ASN 193 N 0.82 0.72 -0.22 3.88 -0.00 -0.82 0.99 115.58 120.95 3ig4 h ASN 193 Ca 0.33 -0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.59 3ig4 h ASN 193 Cb 0.16 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 3ig4 h ASN 193 CO -0.17 0.48 -0.01 0.58 -0.00 0.00 0.00 177.43 178.31 3ig4 h VAL 194 N 0.82 1.26 -0.03 2.57 2.07 -0.15 -2.82 116.25 119.97 3ig4 h VAL 194 Ca 0.31 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3ig4 h VAL 194 Cb 0.19 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3ig4 h VAL 194 CO -0.10 0.28 0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3ig4 h LEU 195 N 0.15 0.00 -0.01 2.57 3.38 0.68 -1.05 115.31 121.03 3ig4 h LEU 195 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ig4 h LEU 195 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ig4 h LEU 195 CO 0.01 0.00 -0.12 1.17 0.09 0.00 0.00 178.44 179.60 3ig4 n LYS 196 N -4.48 0.06 0.00 1.13 4.81 0.17 -3.99 118.16 115.87 3ig4 n LYS 196 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3ig4 n LYS 196 Cb 0.12 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.67 3ig4 n LYS 196 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ig4 n HIS 197 N -1.46 0.00 -2.53 5.64 8.25 -0.59 -3.82 115.22 120.72 3ig4 n HIS 197 Ca 0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 3ig4 n HIS 197 Cb 0.33 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.38 3.33 0.23 -1.41 0.00 -0.50 -5.03 121.76 118.00 3ig4 s ALA 198 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3ig4 s ALA 198 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3ig4 s ALA 198 CO 0.00 -0.11 0.53 -1.59 0.00 0.00 0.00 175.76 174.59 3ig4 s LYS 199 N -1.62 1.52 0.87 0.00 -2.85 -1.25 -4.87 119.74 111.55 3ig4 s LYS 199 Ca 0.47 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.25 3ig4 s LYS 199 Cb -0.29 0.51 0.12 0.00 -2.06 0.00 0.00 37.83 36.10 3ig4 s LYS 199 CO 0.37 -0.65 1.09 0.00 0.10 0.00 0.00 175.35 176.26 3ig4 s ALA 200 N -3.95 1.69 -0.56 0.59 0.00 -1.26 -4.90 121.76 113.37 3ig4 s ALA 200 Ca 0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 3ig4 s ALA 200 Cb -0.02 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3ig4 s ALA 200 CO 0.04 -2.23 0.64 -0.25 0.00 0.00 0.00 175.76 173.96 3ig4 n ASP 201 N -3.80 -7.27 -0.06 0.00 8.00 0.48 -4.96 116.55 108.94 3ig4 n ASP 201 Ca 0.07 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 3ig4 n ASP 201 Cb 0.55 -4.48 -0.05 0.00 -0.02 0.00 0.00 41.12 37.12 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 -0.93 0.30 0.26 -1.24 1.02 0.03 -4.95 120.64 115.14 3ig4 n GLU 204 Ca 0.01 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 3ig4 n GLU 204 Cb 0.53 -1.18 0.67 0.00 -0.02 0.00 0.00 31.44 31.44 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 -0.12 0.00 -0.72 -0.32 -0.00 -1.45 -2.10 116.97 112.26 3ig4 h TYR 205 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.41 3ig4 h TYR 205 Cb 1.39 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.09 3ig4 h TYR 205 CO -0.00 0.12 0.35 0.93 -0.00 0.00 0.00 178.16 179.56 3ig4 h GLU 206 N 0.00 1.03 -0.43 0.10 5.08 -1.96 0.60 114.58 119.00 3ig4 h GLU 206 Ca -0.00 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3ig4 h GLU 206 Cb 0.48 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ig4 h GLU 206 CO 0.02 0.81 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.54 3ig4 h LEU 207 N 1.00 0.90 -1.07 1.33 3.38 -1.84 -3.02 115.31 116.00 3ig4 h LEU 207 Ca 0.25 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ig4 h LEU 207 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ig4 h LEU 207 CO -0.03 1.08 0.37 -0.08 0.09 0.00 0.00 178.44 179.87 3ig4 h GLU 208 N 0.76 1.03 -0.81 1.13 4.81 -0.85 -1.61 114.58 119.04 3ig4 h GLU 208 Ca 0.10 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3ig4 h GLU 208 Cb 0.77 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 3ig4 h GLU 208 CO 0.06 0.78 0.45 0.00 -0.73 0.00 0.00 179.01 179.57 3ig4 h ALA 209 N 1.38 1.16 -0.42 2.92 0.00 -0.77 -0.39 119.26 123.14 3ig4 h ALA 209 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ig4 h ALA 209 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ig4 h ALA 209 CO -0.04 0.06 0.22 1.96 0.00 0.00 0.00 179.25 181.45 3ig4 h GLN 210 N 0.75 0.59 -0.36 0.00 1.08 -1.22 0.38 115.11 116.33 3ig4 h GLN 210 Ca 0.40 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.49 3ig4 h GLN 210 Cb 0.39 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3ig4 h GLN 210 CO -0.26 0.49 0.09 0.35 -0.95 0.00 0.00 178.83 178.55 3ig4 h PHE 211 N 0.54 0.60 -0.46 2.96 3.57 -1.08 -2.41 116.94 120.66 3ig4 h PHE 211 Ca 0.15 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3ig4 h PHE 211 Cb 0.08 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 3ig4 h PHE 211 CO -0.02 0.60 0.23 -0.44 -2.23 0.00 0.00 178.31 176.45 3ig4 h ASP 212 N 0.43 0.35 -0.31 0.41 3.32 -0.94 -2.77 116.42 116.91 3ig4 h ASP 212 Ca 0.11 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3ig4 h ASP 212 Cb 0.29 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3ig4 h ASP 212 CO 0.00 0.25 0.06 0.15 -1.72 0.00 0.00 179.24 177.98 3ig4 h PHE 213 N 0.47 0.11 -0.05 4.55 3.57 -0.60 0.73 116.94 125.72 3ig4 h PHE 213 Ca 0.20 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3ig4 h PHE 213 Cb 0.09 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3ig4 h PHE 213 CO -0.10 0.03 -0.19 1.15 -2.23 0.00 0.00 178.31 176.97 3ig4 h THR 214 N 0.18 0.54 -0.47 4.41 2.02 -1.27 -0.68 112.91 117.64 3ig4 h THR 214 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3ig4 h THR 214 Cb 0.15 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3ig4 h THR 214 CO -0.18 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 175.94 3ig4 h LEU 215 N -0.28 0.53 -0.23 2.58 4.07 -1.17 -2.51 115.31 118.29 3ig4 h LEU 215 Ca 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 3ig4 h LEU 215 Cb 0.38 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3ig4 h LEU 215 CO -0.21 0.38 -0.05 0.50 -1.08 0.00 0.00 178.44 177.98 3ig4 h LYS 216 N 0.63 0.44 0.00 1.13 1.63 -0.57 -2.02 116.57 117.80 3ig4 h LYS 216 Ca 0.17 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3ig4 h LYS 216 Cb -0.06 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3ig4 h LYS 216 CO -0.04 0.67 0.00 -1.13 -3.45 0.00 0.00 179.45 175.50 3ig4 n SER 217 N -4.58 0.00 -1.16 4.20 3.41 -0.29 -1.17 113.62 114.04 3ig4 n SER 217 Ca -0.04 -0.22 0.11 0.00 -0.26 0.00 0.00 58.87 58.46 3ig4 n SER 217 Cb 0.29 -0.17 0.24 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.17 3.53 0.00 4.04 7.64 -0.82 -4.96 113.62 121.89 3ig4 n SER 218 Ca 0.11 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.01 3ig4 n SER 218 Cb 0.11 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.45 1.85 3.67 0.23 0.00 -0.31 -5.03 105.19 107.05 3ig4 n GLY 219 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.37 3.18 0.02 -0.61 1.09 -0.85 -4.89 121.20 116.77 3ig4 s ILE 220 Ca 0.00 0.33 0.05 0.00 -1.10 0.00 0.00 60.65 59.93 3ig4 s ILE 220 Cb 0.00 -3.21 -0.24 0.00 -1.06 0.00 0.00 42.46 37.95 3ig4 s ILE 220 CO 0.00 -0.02 0.93 0.11 -0.10 0.00 0.00 174.94 175.85 3ig4 h LYS 221 N 9.72 0.10 -5.15 2.79 1.57 -1.87 -3.38 116.57 120.35 3ig4 h LYS 221 Ca -0.45 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 57.82 3ig4 h LYS 221 Cb 1.21 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 3ig4 h LYS 221 CO 0.94 0.90 -0.72 -1.01 -0.57 0.00 0.00 179.45 179.00 3ig4 s HIS 222 N -2.64 1.35 0.36 -1.35 3.76 -1.26 -5.09 115.29 110.41 3ig4 s HIS 222 Ca -0.05 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 3ig4 s HIS 222 Cb 0.08 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 3ig4 s HIS 222 CO 0.83 0.12 0.57 -1.01 -0.85 0.00 0.00 174.74 174.40 3ig4 s HIS 223 N -3.27 3.49 0.25 1.40 3.76 -1.26 -2.50 115.29 117.15 3ig4 s HIS 223 Ca 0.18 0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 55.44 3ig4 s HIS 223 Cb 0.02 -1.93 0.29 0.00 1.11 0.00 0.00 32.58 32.07 3ig4 s HIS 223 CO 0.02 0.08 1.72 0.00 -0.85 0.00 0.00 174.74 175.71 3ig4 h ALA 224 N 0.70 1.04 -2.53 -1.40 0.00 -1.50 -3.42 119.26 112.14 3ig4 h ALA 224 Ca -0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 3ig4 h ALA 224 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ig4 h ALA 224 CO 0.61 0.59 0.19 1.97 0.00 0.00 0.00 179.25 182.60 3ig4 n PHE 225 N -4.18 -1.71 -2.54 0.00 -1.74 -1.26 -4.74 117.46 101.28 3ig4 n PHE 225 Ca 0.02 -1.05 -0.43 0.00 -0.56 0.00 0.00 57.45 55.43 3ig4 n PHE 225 Cb 0.34 0.52 -0.02 0.00 1.52 0.00 0.00 39.48 41.85 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 -2.24 6.93 0.03 5.98 0.02 -1.26 -4.81 114.94 119.58 3ig4 s ASN 226 Ca 0.10 1.36 -0.36 0.00 -1.02 0.00 0.00 52.86 52.93 3ig4 s ASN 226 Cb -0.03 -2.54 -0.15 0.00 0.02 0.00 0.00 41.25 38.55 3ig4 s ASN 226 CO 0.07 -0.83 1.54 0.41 0.02 0.00 0.00 177.10 178.31 3ig4 n THR 227 N 5.64 0.12 -3.65 1.60 -1.04 -1.26 -4.89 114.28 110.80 3ig4 n THR 227 Ca 0.13 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.05 61.75 3ig4 n THR 227 Cb 0.46 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.64 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 1.56 5.24 -0.44 12.58 1.01 0.53 -4.81 121.20 136.87 3ig4 s ILE 228 Ca 0.86 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.68 3ig4 s ILE 228 Cb -0.86 -3.46 0.15 0.00 0.01 0.00 0.00 42.46 38.30 3ig4 s ILE 228 CO 0.48 0.31 0.30 -0.22 0.00 0.00 0.00 174.94 175.81 3ig4 s LEU 229 N 1.36 2.10 -0.16 2.97 0.20 -1.26 -1.65 118.68 122.24 3ig4 s LEU 229 Ca 0.07 -2.82 -0.04 0.00 0.69 0.00 0.00 54.13 52.03 3ig4 s LEU 229 Cb -0.15 -0.75 -0.03 0.00 -0.43 0.00 0.00 46.19 44.84 3ig4 s LEU 229 CO 0.07 -0.22 -0.03 0.00 -0.29 0.00 0.00 176.35 175.88 3ig4 s ALA 230 N 0.21 3.02 0.25 5.97 0.00 -0.64 -4.61 121.76 125.95 3ig4 s ALA 230 Ca 0.24 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.45 3ig4 s ALA 230 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3ig4 s ALA 230 CO -0.08 0.15 -0.05 -1.54 0.00 0.00 0.00 175.76 174.24 3ig4 s SER 231 N 0.46 4.35 0.52 0.00 1.04 -1.26 -0.03 113.70 118.78 3ig4 s SER 231 Ca -0.03 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3ig4 s SER 231 Cb -0.14 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.24 3ig4 s SER 231 CO 0.03 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.89 3ig4 n GLY 232 N -0.65 2.75 0.23 7.32 0.00 -0.70 -1.36 105.19 112.78 3ig4 n GLY 232 Ca -0.07 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.61 3.64 -1.92 -2.99 116.57 116.90 3ig4 h LYS 233 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3ig4 h LYS 233 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ig4 h LYS 233 CO 0.00 0.19 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.35 3ig4 h ASN 234 N 0.00 0.00 0.27 4.20 -0.26 -1.57 -1.65 115.58 116.57 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 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 3ig4 h ASN 234 CO 0.03 0.11 0.00 0.00 -1.06 0.00 0.00 177.43 176.51 3ig4 n ALA 235 N -2.28 1.64 0.15 -0.83 0.00 -1.13 -1.49 120.51 116.57 3ig4 n ALA 235 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.39 3ig4 n ALA 235 Cb 0.24 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.64 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 1.05 -3.41 0.00 2.02 -1.52 -3.42 112.91 107.62 3ig4 h THR 236 Ca 0.00 -2.12 -0.59 0.00 0.77 0.00 0.00 66.41 64.47 3ig4 h THR 236 Cb 0.13 2.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 3ig4 h THR 236 CO 0.00 0.53 0.59 -0.69 0.37 0.00 0.00 175.52 176.32 3ig4 s VAL 237 N -3.23 4.64 0.20 3.16 1.01 -0.56 -4.95 120.40 120.68 3ig4 s VAL 237 Ca 0.02 1.35 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 3ig4 s VAL 237 Cb 0.10 -4.29 0.16 0.00 0.00 0.00 0.00 36.38 32.35 3ig4 s VAL 237 CO 0.73 -0.41 1.69 -0.07 0.00 0.00 0.00 175.10 177.05 3ig4 h LEU 238 N 9.83 -0.11 -3.49 3.92 4.07 -1.86 -2.52 115.31 125.15 3ig4 h LEU 238 Ca -0.23 0.12 -0.30 0.00 0.08 0.00 0.00 57.88 57.55 3ig4 h LEU 238 Cb 1.08 0.19 -0.19 0.00 1.08 0.00 0.00 40.66 42.83 3ig4 h LEU 238 CO 0.96 -0.04 -0.12 1.41 -1.08 0.00 0.00 178.44 179.56 3ig4 n HIS 239 N -5.19 1.61 -1.66 1.13 8.25 -1.26 -5.04 115.22 113.05 3ig4 n HIS 239 Ca 0.08 -1.87 -0.59 0.00 -0.26 0.00 0.00 57.72 55.08 3ig4 n HIS 239 Cb 0.32 -0.57 -0.08 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.03 1.69 -0.03 4.41 9.36 -0.95 -4.86 117.16 125.75 3ig4 n TYR 240 Ca 0.38 0.75 0.00 0.00 3.32 0.00 0.00 57.90 62.35 3ig4 n TYR 240 Cb 0.99 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 37.36 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 3.94 4.60 -0.30 2.98 1.02 -1.26 -4.34 120.64 127.28 3ig4 n GLU 241 Ca 0.25 -0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.38 3ig4 n GLU 241 Cb 0.10 -0.43 0.18 0.00 -0.02 0.00 0.00 31.44 31.27 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 0.71 -4.93 1.62 3.32 -1.92 -3.45 116.42 111.77 3ig4 h ASP 242 Ca 0.00 0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 3ig4 h ASP 242 Cb 0.01 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 3ig4 h ASP 242 CO 0.00 0.40 -0.48 0.59 -1.72 0.00 0.00 179.24 178.03 3ig4 n ASN 243 N -4.72 -3.85 -1.42 6.45 3.02 -1.26 -4.84 115.26 108.64 3ig4 n ASN 243 Ca 0.14 -0.20 0.01 0.00 -0.03 0.00 0.00 54.58 54.51 3ig4 n ASN 243 Cb 0.29 -3.20 0.09 0.00 -0.61 0.00 0.00 39.78 36.35 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 -2.15 1.79 -4.85 6.41 5.68 -1.26 -1.24 116.55 120.93 3ig4 n ASP 244 Ca -0.06 -2.88 -0.22 0.00 -0.50 0.00 0.00 54.79 51.13 3ig4 n ASP 244 Cb 0.56 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 40.10 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 -2.07 3.69 0.15 2.12 0.00 -1.26 -4.87 121.76 119.51 3ig4 s ALA 245 Ca 0.36 -1.44 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 3ig4 s ALA 245 Cb 0.38 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 3ig4 s ALA 245 CO -0.09 0.20 0.82 -1.14 0.00 0.00 0.00 175.76 175.55 3ig4 s GLN 246 N -3.89 4.61 -0.34 0.00 0.74 -1.26 -0.79 119.66 118.73 3ig4 s GLN 246 Ca 0.35 1.22 -0.28 0.00 0.05 0.00 0.00 55.36 56.70 3ig4 s GLN 246 Cb -0.08 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.75 3ig4 s GLN 246 CO 0.26 0.46 1.02 0.42 -0.55 0.00 0.00 175.29 176.91 3ig4 s ILE 247 N -0.80 4.53 0.39 -2.34 1.01 -1.26 -4.91 121.20 117.82 3ig4 s ILE 247 Ca 0.38 1.54 -0.24 0.00 0.00 0.00 0.00 60.65 62.33 3ig4 s ILE 247 Cb -0.23 -4.39 -0.10 0.00 0.01 0.00 0.00 42.46 37.76 3ig4 s ILE 247 CO 0.27 -0.51 1.00 -1.10 0.00 0.00 0.00 174.94 174.60 3ig4 s GLN 248 N 3.61 4.28 0.14 2.79 -1.52 -1.26 -0.38 119.66 127.31 3ig4 s GLN 248 Ca 0.43 1.39 -0.33 0.00 -1.95 0.00 0.00 55.36 54.90 3ig4 s GLN 248 Cb -0.12 -2.53 -0.12 0.00 -0.22 0.00 0.00 33.01 30.01 3ig4 s GLN 248 CO 0.17 -0.02 1.71 -1.71 -0.25 0.00 0.00 175.29 175.19 3ig4 n ASN 249 N -0.03 3.60 0.00 5.90 4.05 -1.26 -1.18 115.26 126.34 3ig4 n ASN 249 Ca 0.05 1.04 0.00 0.00 0.45 0.00 0.00 54.58 56.12 3ig4 n ASN 249 Cb 0.51 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 40.03 3ig4 n ASN 249 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ig4 n GLY 250 N 3.86 2.60 3.77 8.20 0.00 -1.26 -5.05 105.19 117.30 3ig4 n GLY 250 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.31 6.35 0.13 1.61 1.11 -0.33 -4.88 116.67 119.36 3ig4 s ASP 251 Ca 0.00 2.84 -0.15 0.00 0.18 0.00 0.00 52.55 55.42 3ig4 s ASP 251 Cb 0.00 -2.65 -0.07 0.00 1.07 0.00 0.00 42.92 41.27 3ig4 s ASP 251 CO 0.00 -0.84 0.55 -0.22 1.18 0.00 0.00 175.17 175.84 3ig4 s LEU 252 N -2.22 4.38 -0.16 1.23 2.96 -1.26 -1.76 118.68 121.84 3ig4 s LEU 252 Ca 0.54 1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 55.56 3ig4 s LEU 252 Cb -0.42 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3ig4 s LEU 252 CO 0.56 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.96 3ig4 s VAL 253 N -1.38 3.34 -0.29 1.68 1.01 0.14 -1.72 120.40 123.18 3ig4 s VAL 253 Ca 0.36 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3ig4 s VAL 253 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3ig4 s VAL 253 CO 0.19 0.49 0.15 -0.22 0.00 0.00 0.00 175.10 175.71 3ig4 s LEU 254 N 0.68 3.93 -0.17 3.92 0.20 0.96 -1.48 118.68 126.73 3ig4 s LEU 254 Ca -0.04 -0.29 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 3ig4 s LEU 254 Cb -0.15 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 3ig4 s LEU 254 CO 0.02 -0.11 0.09 -0.76 -0.29 0.00 0.00 176.35 175.29 3ig4 s LEU 255 N 1.66 3.99 -0.14 -0.68 1.43 0.29 -1.62 118.68 123.61 3ig4 s LEU 255 Ca 0.06 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3ig4 s LEU 255 Cb -0.16 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.11 3ig4 s LEU 255 CO 0.07 0.24 0.05 -0.62 0.23 0.00 0.00 176.35 176.32 3ig4 s ASP 256 N 0.01 2.19 0.24 2.29 -1.08 -0.66 0.29 116.67 119.95 3ig4 s ASP 256 Ca 0.07 -0.47 -0.21 0.00 -0.52 0.00 0.00 52.55 51.43 3ig4 s ASP 256 Cb -0.12 -0.37 0.07 0.00 -1.46 0.00 0.00 42.92 41.04 3ig4 s ASP 256 CO 0.00 -0.29 0.96 -1.48 0.52 0.00 0.00 175.17 174.88 3ig4 s LEU 257 N 2.03 -0.01 -0.28 -1.34 0.05 -0.70 -0.34 118.68 118.08 3ig4 s LEU 257 Ca 0.02 -0.79 -0.28 0.00 0.05 0.00 0.00 54.13 53.13 3ig4 s LEU 257 Cb -0.15 2.32 0.19 0.00 -2.05 0.00 0.00 46.19 46.50 3ig4 s LEU 257 CO -0.07 -1.19 1.36 -0.83 -0.55 0.00 0.00 176.35 175.07 3ig4 s GLY 258 N -3.27 0.13 0.54 -3.48 0.00 -1.26 -1.41 107.32 98.56 3ig4 s GLY 258 Ca 0.19 2.94 -0.04 0.00 0.00 0.00 0.00 44.72 47.81 3ig4 s GLY 258 CO 0.07 1.27 0.82 0.00 0.00 0.00 0.00 173.10 175.26 3ig4 s ALA 259 N -0.81 3.47 -0.11 3.20 0.00 -1.26 -1.76 121.76 124.48 3ig4 s ALA 259 Ca 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3ig4 s ALA 259 Cb -0.02 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.68 3ig4 s ALA 259 CO -0.09 -0.65 -0.14 -1.14 0.00 0.00 0.00 175.76 173.74 3ig4 s GLN 260 N -4.84 2.07 -0.19 0.00 0.74 -1.04 -1.89 119.66 114.51 3ig4 s GLN 260 Ca 0.52 -0.50 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 3ig4 s GLN 260 Cb -0.10 -1.82 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 3ig4 s GLN 260 CO 0.43 -0.11 -0.08 0.21 -0.55 0.00 0.00 175.29 175.19 3ig4 s LYS 261 N 1.12 3.33 -1.63 1.67 2.47 0.08 -4.50 119.74 122.28 3ig4 s LYS 261 Ca -0.04 -0.66 -0.11 0.00 -1.56 0.00 0.00 55.97 53.59 3ig4 s LYS 261 Cb -0.14 -2.86 0.10 0.00 -1.46 0.00 0.00 37.83 33.46 3ig4 s LYS 261 CO -0.03 -0.10 0.51 -0.25 0.16 0.00 0.00 175.35 175.64 3ig4 n ASP 262 N 4.47 -1.48 0.00 1.43 8.00 -1.26 0.17 116.55 127.89 3ig4 n ASP 262 Ca -0.19 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3ig4 n ASP 262 Cb 0.51 -2.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.18 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 -4.38 0.00 -3.51 1.24 4.01 -1.26 -5.00 117.16 108.26 3ig4 n TYR 263 Ca -0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.31 3ig4 n TYR 263 Cb 0.58 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 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 -3.05 3.53 -0.08 -0.72 1.51 0.13 -4.43 117.35 114.25 3ig4 s TYR 264 Ca 0.00 0.82 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 3ig4 s TYR 264 Cb 0.00 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3ig4 s TYR 264 CO 0.00 0.42 -0.13 -0.80 -1.11 0.00 0.00 175.55 173.94 3ig4 s ASN 265 N -2.02 4.13 0.20 2.29 0.01 -0.73 -0.75 114.94 118.08 3ig4 s ASN 265 Ca 0.39 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3ig4 s ASN 265 Cb -0.13 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.38 3ig4 s ASN 265 CO 0.20 0.30 0.38 0.00 -1.51 0.00 0.00 177.10 176.46 3ig4 s ALA 266 N -0.44 3.86 -0.26 0.60 0.00 -0.79 -4.49 121.76 120.24 3ig4 s ALA 266 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3ig4 s ALA 266 Cb -0.12 -1.93 0.13 0.00 0.00 0.00 0.00 23.12 21.20 3ig4 s ALA 266 CO 0.02 0.40 0.32 0.34 0.00 0.00 0.00 175.76 176.84 3ig4 s ASP 267 N -3.34 1.01 -0.04 0.00 2.15 -1.26 -4.34 116.67 110.85 3ig4 s ASP 267 Ca 0.37 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 53.05 3ig4 s ASP 267 Cb -0.11 0.75 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 3ig4 s ASP 267 CO 0.29 -0.35 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.22 3ig4 s ILE 268 N 2.44 0.92 -0.13 4.11 -1.09 -0.50 -4.52 121.20 122.42 3ig4 s ILE 268 Ca 0.10 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 3ig4 s ILE 268 Cb -0.14 -0.83 -0.02 0.00 -1.58 0.00 0.00 42.46 39.88 3ig4 s ILE 268 CO -0.24 0.29 -0.09 -0.44 -1.23 0.00 0.00 174.94 173.23 3ig4 s SER 269 N 0.40 4.37 -0.02 3.58 0.01 -1.22 -1.71 113.70 119.10 3ig4 s SER 269 Ca -0.07 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 56.99 3ig4 s SER 269 Cb -0.12 -1.57 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3ig4 s SER 269 CO 0.01 0.20 -0.04 -0.47 0.41 0.00 0.00 173.24 173.36 3ig4 s TYR 270 N 0.14 0.54 0.01 2.43 6.14 0.14 -1.83 117.35 124.92 3ig4 s TYR 270 Ca -0.04 -0.11 0.08 0.00 0.64 0.00 0.00 57.07 57.63 3ig4 s TYR 270 Cb -0.14 -0.46 -0.02 0.00 0.42 0.00 0.00 41.96 41.75 3ig4 s TYR 270 CO 0.04 -0.10 -0.24 0.99 0.64 0.00 0.00 175.55 176.88 3ig4 s THR 271 N 0.52 1.92 0.16 4.34 2.01 -1.25 0.10 115.64 123.44 3ig4 s THR 271 Ca -0.06 -1.15 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 3ig4 s THR 271 Cb -0.09 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.85 3ig4 s THR 271 CO -0.00 0.44 0.53 0.72 -0.69 0.00 0.00 174.62 175.62 3ig4 s PHE 272 N -0.66 -0.38 0.03 4.92 -0.12 -0.55 -4.98 117.98 116.24 3ig4 s PHE 272 Ca 0.10 0.11 -0.28 0.00 -0.05 0.00 0.00 56.93 56.81 3ig4 s PHE 272 Cb -0.09 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 3ig4 s PHE 272 CO 0.00 -0.82 0.90 -1.25 -0.05 0.00 0.00 175.22 174.00 3ig4 s PRO 273 N -3.79 4.58 0.34 1.99 0.04 -1.26 0.24 135.00 137.14 3ig4 s PRO 273 Ca 0.03 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.43 3ig4 s PRO 273 Cb -0.00 -3.42 0.61 0.00 0.04 0.00 0.00 34.50 31.73 3ig4 s PRO 273 CO -0.11 0.10 1.83 0.00 0.04 0.00 0.00 177.00 178.87 3ig4 h ALA 274 N 6.22 1.33 -0.51 8.56 0.00 -1.68 -2.42 119.26 130.75 3ig4 h ALA 274 Ca -0.42 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3ig4 h ALA 274 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ig4 h ALA 274 CO 0.73 0.45 0.00 0.27 0.00 0.00 0.00 179.25 180.71 3ig4 n ASN 275 N -4.21 2.78 0.00 0.00 0.23 -1.26 -3.80 115.26 109.00 3ig4 n ASN 275 Ca -0.00 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 3ig4 n ASN 275 Cb 0.32 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 1.27 0.83 2.74 4.83 0.00 -0.91 -4.99 105.19 108.96 3ig4 n GLY 276 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.30 0.19 0.34 2.61 2.01 -1.26 -4.51 115.64 111.72 3ig4 s THR 277 Ca 0.00 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 3ig4 s THR 277 Cb 0.00 -0.38 -0.10 0.00 0.01 0.00 0.00 72.50 72.04 3ig4 s THR 277 CO 0.00 0.22 1.21 -0.36 -0.69 0.00 0.00 174.62 175.01 3ig4 s PHE 278 N 1.93 3.19 0.78 4.92 0.08 -1.26 -4.82 117.98 122.79 3ig4 s PHE 278 Ca 0.03 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 3ig4 s PHE 278 Cb -0.12 -3.50 0.06 0.00 -0.57 0.00 0.00 43.02 38.89 3ig4 s PHE 278 CO -0.04 -1.37 1.12 -1.54 -0.10 0.00 0.00 175.22 173.29 3ig4 s SER 279 N -0.77 4.76 0.19 1.36 1.04 -1.26 -4.81 113.70 114.21 3ig4 s SER 279 Ca 0.50 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.88 3ig4 s SER 279 Cb -0.35 -1.75 0.21 0.00 0.10 0.00 0.00 66.02 64.23 3ig4 s SER 279 CO 0.46 -1.77 1.72 0.28 0.98 0.00 0.00 173.24 174.91 3ig4 h SER 280 N -0.96 0.06 0.29 7.02 0.02 -1.99 0.69 113.55 118.69 3ig4 h SER 280 Ca -0.46 0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.40 3ig4 h SER 280 Cb 1.28 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3ig4 h SER 280 CO 0.63 0.05 -0.69 -0.09 -1.14 0.00 0.00 176.83 175.59 3ig4 h ARG 281 N 0.28 0.35 -0.09 3.45 9.65 -2.00 -2.07 114.38 123.95 3ig4 h ARG 281 Ca 0.26 -0.28 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 3ig4 h ARG 281 Cb 0.35 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3ig4 h ARG 281 CO -0.32 0.91 -0.55 1.96 2.80 0.00 0.00 179.97 184.77 3ig4 h GLN 282 N 0.25 0.28 -0.53 0.20 4.20 -1.80 -2.05 115.11 115.65 3ig4 h GLN 282 Ca -0.02 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 3ig4 h GLN 282 Cb 1.25 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3ig4 h GLN 282 CO 0.12 0.76 0.09 -0.22 -0.67 0.00 0.00 178.83 178.90 3ig4 h LYS 283 N 0.21 0.88 0.49 1.46 3.64 -0.65 -1.07 116.57 121.53 3ig4 h LYS 283 Ca 0.00 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3ig4 h LYS 283 Cb 1.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3ig4 h LYS 283 CO 0.09 0.86 -0.35 1.96 -2.27 0.00 0.00 179.45 179.73 3ig4 h GLN 284 N 0.77 -0.79 -0.47 1.90 4.20 -1.17 -1.88 115.11 117.67 3ig4 h GLN 284 Ca 0.16 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3ig4 h GLN 284 Cb 0.40 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3ig4 h GLN 284 CO 0.01 -0.53 0.15 0.82 -0.67 0.00 0.00 178.83 178.62 3ig4 h ILE 285 N -0.82 1.22 -0.09 2.54 1.08 -1.38 -2.33 117.51 117.74 3ig4 h ILE 285 Ca -0.05 -0.74 0.04 0.00 -0.39 0.00 0.00 64.86 63.72 3ig4 h ILE 285 Cb 0.69 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 3ig4 h ILE 285 CO 0.02 0.27 -0.28 0.22 -0.69 0.00 0.00 178.15 177.68 3ig4 h TYR 286 N 0.63 -0.77 -0.67 1.37 5.03 -1.13 -1.92 116.97 119.50 3ig4 h TYR 286 Ca 0.15 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.54 3ig4 h TYR 286 Cb 0.26 0.35 -0.05 0.00 1.55 0.00 0.00 36.73 38.84 3ig4 h TYR 286 CO 0.01 -0.37 0.39 -0.91 -1.32 0.00 0.00 178.16 175.96 3ig4 h ASN 287 N -0.38 0.60 -0.76 -2.11 2.35 -1.15 0.90 115.58 115.03 3ig4 h ASN 287 Ca 0.09 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 56.01 3ig4 h ASN 287 Cb 0.51 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 3ig4 h ASN 287 CO -0.30 0.40 0.27 0.40 -1.65 0.00 0.00 177.43 176.54 3ig4 h ILE 288 N 0.73 0.59 -0.23 2.81 2.04 -0.92 0.22 117.51 122.76 3ig4 h ILE 288 Ca 0.29 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3ig4 h ILE 288 Cb 0.13 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3ig4 h ILE 288 CO -0.16 0.07 -0.04 0.58 0.00 0.00 0.00 178.15 178.60 3ig4 h VAL 289 N 0.38 1.28 -0.62 1.67 2.07 -0.36 -2.55 116.25 118.12 3ig4 h VAL 289 Ca 0.43 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3ig4 h VAL 289 Cb 0.69 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3ig4 h VAL 289 CO -0.45 0.31 0.37 0.25 0.02 0.00 0.00 177.57 178.07 3ig4 h LEU 290 N 0.18 0.58 -0.11 2.57 5.85 0.20 -0.16 115.31 124.42 3ig4 h LEU 290 Ca 0.06 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3ig4 h LEU 290 Cb 0.49 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3ig4 h LEU 290 CO 0.02 0.40 -0.11 0.78 -0.34 0.00 0.00 178.44 179.19 3ig4 h ASN 291 N 0.71 -0.34 -0.74 1.25 2.35 -0.59 -1.21 115.58 117.02 3ig4 h ASN 291 Ca 0.26 0.07 0.17 0.00 -0.55 0.00 0.00 56.30 56.25 3ig4 h ASN 291 Cb 0.07 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3ig4 h ASN 291 CO -0.13 -0.15 0.51 0.00 -1.65 0.00 0.00 177.43 176.01 3ig4 h ALA 292 N 0.94 2.31 0.38 -0.83 0.00 -0.78 0.22 119.26 121.50 3ig4 h ALA 292 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ig4 h ALA 292 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ig4 h ALA 292 CO -0.19 -0.53 -0.18 1.25 0.00 0.00 0.00 179.25 179.60 3ig4 h LEU 293 N 0.26 -0.43 0.50 0.00 5.85 -0.06 -1.90 115.31 119.53 3ig4 h LEU 293 Ca 0.36 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3ig4 h LEU 293 Cb 1.05 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3ig4 h LEU 293 CO -0.09 -0.05 -0.35 0.11 -0.34 0.00 0.00 178.44 177.72 3ig4 h LYS 294 N -0.88 -0.80 -0.57 1.25 1.57 -0.33 -0.63 116.57 116.18 3ig4 h LYS 294 Ca -0.05 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3ig4 h LYS 294 Cb 0.54 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.92 3ig4 h LYS 294 CO 0.09 -0.53 -0.14 0.93 -0.57 0.00 0.00 179.45 179.22 3ig4 h GLU 295 N -0.83 0.00 -0.16 3.15 4.39 -0.72 0.17 114.58 120.59 3ig4 h GLU 295 Ca -0.06 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3ig4 h GLU 295 Cb 0.69 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3ig4 h GLU 295 CO 0.03 0.00 -0.21 1.15 -1.16 0.00 0.00 179.01 178.82 3ig4 h THR 296 N 0.00 1.35 -0.94 1.13 2.02 -1.28 -2.78 112.91 112.41 3ig4 h THR 296 Ca 0.27 -1.42 0.12 0.00 0.77 0.00 0.00 66.41 66.16 3ig4 h THR 296 Cb 0.42 1.90 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 3ig4 h THR 296 CO -0.59 0.42 0.57 0.74 0.37 0.00 0.00 175.52 177.03 3ig4 h THR 297 N 0.06 0.88 -0.57 3.16 2.02 -0.78 -2.66 112.91 115.02 3ig4 h THR 297 Ca 0.02 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 66.96 3ig4 h THR 297 Cb 0.78 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3ig4 h THR 297 CO 0.05 0.16 0.38 -0.08 0.37 0.00 0.00 175.52 176.40 3ig4 h GLU 298 N 0.88 0.52 -0.00 6.66 4.57 -0.37 -2.13 114.58 124.70 3ig4 h GLU 298 Ca 0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 3ig4 h GLU 298 Cb 0.51 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3ig4 h GLU 298 CO -0.28 0.34 -0.00 0.44 -1.18 0.00 0.00 179.01 178.33 3ig4 n ILE 299 N -4.47 0.00 -2.39 2.32 -5.35 -1.00 -4.88 119.36 103.59 3ig4 n ILE 299 Ca 0.08 -0.06 -0.42 0.00 -0.27 0.00 0.00 62.75 62.08 3ig4 n ILE 299 Cb 0.24 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.84 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 -2.04 4.12 -0.18 7.28 1.01 -0.81 -4.94 121.20 125.65 3ig4 s ILE 300 Ca 0.44 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 3ig4 s ILE 300 Cb 0.22 -3.93 0.14 0.00 0.01 0.00 0.00 42.46 38.90 3ig4 s ILE 300 CO 0.37 -0.03 1.10 -1.59 0.00 0.00 0.00 174.94 174.79 3ig4 s LYS 301 N 2.52 0.45 0.38 2.79 -2.85 -1.26 -3.54 119.74 118.23 3ig4 s LYS 301 Ca 0.58 0.04 -0.24 0.00 -1.00 0.00 0.00 55.97 55.35 3ig4 s LYS 301 Cb -0.26 0.21 -0.13 0.00 -2.06 0.00 0.00 37.83 35.60 3ig4 s LYS 301 CO 0.22 -0.15 0.74 -2.30 0.10 0.00 0.00 175.35 173.95 3ig4 n PRO 302 N 0.50 0.85 0.00 1.78 -0.02 -1.26 -2.02 135.00 134.83 3ig4 n PRO 302 Ca -0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3ig4 n PRO 302 Cb 0.58 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.56 3.20 3.70 -1.23 0.00 -0.75 -4.98 105.19 106.69 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 4.33 0.19 0.99 2.96 -0.85 -4.76 118.68 121.54 3ig4 s LEU 304 Ca 0.00 2.01 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 3ig4 s LEU 304 Cb 0.00 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 3ig4 s LEU 304 CO 0.00 -0.58 1.44 -0.54 -1.32 0.00 0.00 176.35 175.35 3ig4 s LYS 305 N 1.71 4.29 0.37 1.98 1.02 -1.26 -0.46 119.74 127.38 3ig4 s LYS 305 Ca 0.60 2.22 0.10 0.00 0.02 0.00 0.00 55.97 58.91 3ig4 s LYS 305 Cb -0.29 -3.17 0.85 0.00 -0.52 0.00 0.00 37.83 34.70 3ig4 s LYS 305 CO 0.27 -0.44 1.88 0.35 -0.92 0.00 0.00 175.35 176.49 3ig4 h PHE 306 N 5.96 0.76 -0.12 3.18 3.57 -1.26 0.49 116.94 129.50 3ig4 h PHE 306 Ca -0.44 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.12 3ig4 h PHE 306 Cb 1.21 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3ig4 h PHE 306 CO 0.63 0.29 0.13 0.00 -2.23 0.00 0.00 178.31 177.13 3ig4 h ALA 307 N 1.61 1.77 0.00 2.41 0.00 -1.89 -1.55 119.26 121.60 3ig4 h ALA 307 Ca 0.42 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3ig4 h ALA 307 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ig4 h ALA 307 CO -0.18 -0.19 -0.22 0.00 0.00 0.00 0.00 179.25 178.65 3ig4 h ALA 308 N 1.86 1.12 0.56 0.00 0.00 -1.27 -3.00 119.26 118.54 3ig4 h ALA 308 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ig4 h ALA 308 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ig4 h ALA 308 CO -0.00 0.28 -0.42 -0.07 0.00 0.00 0.00 179.25 179.04 3ig4 h LEU 309 N 0.00 -1.11 -1.22 0.00 3.38 -1.41 -1.63 115.31 113.33 3ig4 h LEU 309 Ca -0.00 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3ig4 h LEU 309 Cb 0.63 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3ig4 h LEU 309 CO 0.03 -0.62 -0.22 -1.13 0.09 0.00 0.00 178.44 176.59 3ig4 h ASN 310 N -0.96 0.25 -0.71 -0.43 -0.73 -1.72 -1.21 115.58 110.07 3ig4 h ASN 310 Ca -0.07 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.02 3ig4 h ASN 310 Cb 0.81 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.29 3ig4 h ASN 310 CO 0.02 0.49 0.38 -0.33 -0.37 0.00 0.00 177.43 177.62 3ig4 h GLU 311 N 0.24 1.02 0.10 6.67 5.08 -1.37 0.35 114.58 126.67 3ig4 h GLU 311 Ca 0.04 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 58.01 3ig4 h GLU 311 Cb 0.53 -0.20 0.03 0.00 0.50 0.00 0.00 28.75 29.61 3ig4 h GLU 311 CO 0.04 0.76 -1.13 1.25 -1.00 0.00 0.00 179.01 178.92 3ig4 h HIS 312 N 1.02 0.94 -0.22 4.33 2.76 -0.89 -2.65 115.15 120.44 3ig4 h HIS 312 Ca 0.26 -0.59 0.05 0.00 -2.20 0.00 0.00 60.37 57.89 3ig4 h HIS 312 Cb 0.05 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 3ig4 h HIS 312 CO 0.01 1.43 -0.08 0.00 -1.30 0.00 0.00 177.93 177.99 3ig4 h ALA 313 N 0.28 0.11 -0.51 5.26 0.00 -0.96 -0.58 119.26 122.86 3ig4 h ALA 313 Ca -0.17 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ig4 h ALA 313 Cb 1.82 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3ig4 h ALA 313 CO 0.22 -0.50 0.26 0.87 0.00 0.00 0.00 179.25 180.10 3ig4 h LYS 314 N -0.04 0.49 -0.36 0.00 1.57 -0.98 0.10 116.57 117.36 3ig4 h LYS 314 Ca 0.11 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3ig4 h LYS 314 Cb 0.21 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3ig4 h LYS 314 CO -0.25 0.33 0.02 -0.22 -0.57 0.00 0.00 179.45 178.75 3ig4 h LYS 315 N 0.51 0.12 -0.00 3.15 3.64 -1.06 -0.28 116.57 122.64 3ig4 h LYS 315 Ca 0.22 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 315 Cb 0.13 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3ig4 h LYS 315 CO -0.15 0.08 -0.90 0.28 -2.27 0.00 0.00 179.45 176.48 3ig4 h VAL 316 N 0.12 1.43 -0.53 2.00 2.07 -0.66 -2.04 116.25 118.65 3ig4 h VAL 316 Ca 0.17 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 3ig4 h VAL 316 Cb 0.23 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3ig4 h VAL 316 CO -0.27 0.73 0.17 -0.07 0.02 0.00 0.00 177.57 178.15 3ig4 h LEU 317 N 0.19 0.77 -0.38 2.57 3.38 -0.64 -1.77 115.31 119.43 3ig4 h LEU 317 Ca -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ig4 h LEU 317 Cb 1.53 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3ig4 h LEU 317 CO 0.15 0.77 0.18 0.00 0.09 0.00 0.00 178.44 179.63 3ig4 h ALA 318 N 1.03 0.49 -0.38 1.53 0.00 -0.97 0.17 119.26 121.13 3ig4 h ALA 318 Ca 0.17 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ig4 h ALA 318 Cb 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ig4 h ALA 318 CO -0.01 0.05 0.11 0.93 0.00 0.00 0.00 179.25 180.33 3ig4 h GLU 319 N 0.47 0.25 -0.39 0.00 5.08 -1.28 0.84 114.58 119.55 3ig4 h GLU 319 Ca 0.13 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3ig4 h GLU 319 Cb 0.12 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3ig4 h GLU 319 CO -0.02 0.16 0.05 0.78 -1.00 0.00 0.00 179.01 178.99 3ig4 h GLY 320 N 0.25 0.44 0.99 -3.84 0.00 -0.95 -1.31 103.07 98.65 3ig4 h GLY 320 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3ig4 h GLY 320 CO -0.21 -0.06 0.08 0.00 0.00 0.00 0.00 176.54 176.35 3ig4 h LYS 322 N 0.71 -0.24 -0.23 0.00 1.57 -0.66 -0.62 116.57 117.10 3ig4 h LYS 322 Ca 0.15 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3ig4 h LYS 322 Cb 0.40 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3ig4 h LYS 322 CO 0.01 -0.16 0.24 0.00 -0.57 0.00 0.00 179.45 178.97 3ig4 h ALA 323 N 0.63 1.91 -0.01 3.86 0.00 -1.00 0.15 119.26 124.79 3ig4 h ALA 323 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ig4 h ALA 323 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ig4 h ALA 323 CO -0.04 -0.35 -0.44 0.28 0.00 0.00 0.00 179.25 178.69 3ig4 n VAL 324 N -3.88 0.00 -0.99 0.00 0.31 -0.89 -4.97 118.33 107.90 3ig4 n VAL 324 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3ig4 n VAL 324 Cb 0.37 1.24 0.00 0.00 -0.91 0.00 0.00 33.84 34.54 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 1.34 0.46 0.17 2.92 0.00 0.53 -4.92 105.19 105.69 3ig4 n GLY 325 Ca 0.08 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -8.29 0.99 5.85 -1.39 -3.46 115.31 109.00 3ig4 h LEU 326 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3ig4 h LEU 326 Cb 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.89 3ig4 h LEU 326 CO 0.00 0.45 -0.50 0.27 -0.34 0.00 0.00 178.44 178.31 3ig4 s ILE 327 N -3.37 0.08 -0.21 4.05 -4.36 -1.19 -5.00 121.20 111.20 3ig4 s ILE 327 Ca 0.01 -1.69 -0.08 0.00 -0.26 0.00 0.00 60.65 58.63 3ig4 s ILE 327 Cb 0.10 -1.99 -0.10 0.00 1.25 0.00 0.00 42.46 41.72 3ig4 s ILE 327 CO 0.71 -0.36 -0.25 1.67 0.24 0.00 0.00 174.94 176.95 3ig4 n GLN 328 N -0.16 0.45 -4.41 0.37 -0.06 -1.26 -4.24 117.38 108.08 3ig4 n GLN 328 Ca -0.06 0.18 -0.22 0.00 -2.00 0.00 0.00 57.00 54.91 3ig4 n GLN 328 Cb 0.63 -1.27 -0.10 0.00 -4.06 0.00 0.00 30.24 25.44 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 -2.39 1.50 0.45 3.69 2.02 -1.26 -4.99 118.70 117.72 3ig4 s GLU 329 Ca -0.29 -1.66 0.14 0.00 0.02 0.00 0.00 54.97 53.18 3ig4 s GLU 329 Cb 0.10 -1.46 1.07 0.00 0.10 0.00 0.00 34.13 33.94 3ig4 s GLU 329 CO 0.39 0.27 2.01 -0.44 0.02 0.00 0.00 175.26 177.50 3ig4 h ASP 330 N 2.49 0.30 0.06 -0.19 3.32 -1.96 -2.16 116.42 118.27 3ig4 h ASP 330 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3ig4 h ASP 330 Cb 1.24 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ig4 h ASP 330 CO 0.60 0.19 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.18 3ig4 h GLU 331 N 0.34 0.00 0.00 3.56 4.81 -2.02 -2.41 114.58 118.86 3ig4 h GLU 331 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3ig4 h GLU 331 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3ig4 h GLU 331 CO -0.05 0.05 0.00 0.93 -0.73 0.00 0.00 179.01 179.20 3ig4 h GLU 332 N 0.00 0.00 -0.73 1.92 5.08 -1.82 -3.29 114.58 115.74 3ig4 h GLU 332 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ig4 h GLU 332 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3ig4 h GLU 332 CO 0.01 0.00 0.48 1.25 -1.00 0.00 0.00 179.01 179.75 3ig4 h LEU 333 N 0.00 0.83 -1.25 1.33 5.85 -1.61 -1.84 115.31 118.62 3ig4 h LEU 333 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ig4 h LEU 333 Cb 0.33 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3ig4 h LEU 333 CO 0.00 0.60 0.09 -1.54 -0.34 0.00 0.00 178.44 177.25 3ig4 n SER 334 N -4.43 0.49 0.21 1.25 3.41 -1.24 0.56 113.62 113.87 3ig4 n SER 334 Ca 0.08 0.70 0.10 0.00 -0.26 0.00 0.00 58.87 59.48 3ig4 n SER 334 Cb 0.04 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 63.56 3ig4 n SER 334 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ig4 h LYS 335 N 0.00 0.00 -0.00 4.33 3.64 -1.61 -3.32 116.57 119.60 3ig4 h LYS 335 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 335 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ig4 h LYS 335 CO 0.00 0.19 -0.00 0.66 -2.27 0.00 0.00 179.45 178.03 3ig4 n TYR 336 N -3.22 0.00 -3.46 1.91 4.01 0.19 -4.90 117.16 111.70 3ig4 n TYR 336 Ca 0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.56 3ig4 n TYR 336 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.79 -0.23 -0.28 -0.72 5.04 -0.08 -0.57 117.35 119.71 3ig4 s TYR 337 Ca 0.00 -0.18 0.15 0.00 -2.44 0.00 0.00 57.07 54.60 3ig4 s TYR 337 Cb 0.00 -0.52 0.48 0.00 0.35 0.00 0.00 41.96 42.28 3ig4 s TYR 337 CO 0.00 -0.79 1.14 2.48 -1.34 0.00 0.00 175.55 177.05 3ig4 n TYR 338 N 5.30 2.02 -4.10 4.97 4.11 -1.26 -4.31 117.16 123.89 3ig4 n TYR 338 Ca -0.04 -2.25 -0.14 0.00 -0.00 0.00 0.00 57.90 55.46 3ig4 n TYR 338 Cb 0.47 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.34 39.48 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 -3.67 1.05 0.56 -3.48 -3.43 -1.26 -5.16 115.29 99.91 3ig4 s HIS 339 Ca 0.39 -1.28 -0.11 0.00 -0.80 0.00 0.00 55.06 53.26 3ig4 s HIS 339 Cb 0.37 -0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 3ig4 s HIS 339 CO -0.01 -1.09 0.97 0.20 -2.00 0.00 0.00 174.74 172.81 3ig4 s GLY 340 N -3.22 1.74 0.10 -1.38 0.00 -1.26 -5.00 107.32 98.30 3ig4 s GLY 340 Ca 0.31 -0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.15 3ig4 s GLY 340 CO 0.19 0.15 1.05 1.55 0.00 0.00 0.00 173.10 176.04 3ig4 n VAL 341 N -2.35 0.32 -3.90 1.40 3.14 -1.26 -4.88 118.33 110.79 3ig4 n VAL 341 Ca 0.05 -0.35 -0.11 0.00 -2.96 0.00 0.00 64.34 60.97 3ig4 n VAL 341 Cb 0.54 -0.03 -0.13 0.00 -1.06 0.00 0.00 33.84 33.17 3ig4 n VAL 341 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3ig4 s SER 342 N -4.42 0.06 0.01 6.55 0.15 -1.26 -0.69 113.70 114.10 3ig4 s SER 342 Ca 0.02 -0.14 -0.15 0.00 0.70 0.00 0.00 55.95 56.38 3ig4 s SER 342 Cb 0.13 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 3ig4 s SER 342 CO 0.79 -0.13 0.33 -1.38 1.20 0.00 0.00 173.24 174.05 3ig4 s HIS 343 N -0.57 -0.18 0.82 3.44 -3.43 -1.25 -4.94 115.29 109.17 3ig4 s HIS 343 Ca -0.06 0.21 -0.13 0.00 -0.80 0.00 0.00 55.06 54.27 3ig4 s HIS 343 Cb -0.04 0.12 0.08 0.00 -1.43 0.00 0.00 32.58 31.31 3ig4 s HIS 343 CO -0.00 -0.45 1.14 1.19 -2.00 0.00 0.00 174.74 174.62 3ig4 n PHE 344 N 0.98 1.07 -4.08 0.38 3.72 -1.26 -1.61 117.46 116.65 3ig4 n PHE 344 Ca -0.20 0.40 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 3ig4 n PHE 344 Cb 0.57 -2.08 -0.11 0.00 -0.94 0.00 0.00 39.48 36.92 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 -5.31 2.27 0.00 4.37 2.96 -0.61 -1.29 118.68 121.08 3ig4 s LEU 345 Ca 0.72 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 3ig4 s LEU 345 Cb -0.29 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.21 3ig4 s LEU 345 CO 0.52 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 3ig4 n GLY 346 N 1.35 -0.56 0.29 7.98 0.00 -1.26 -4.63 105.19 108.36 3ig4 n GLY 346 Ca -0.22 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -8.81 0.99 3.38 -1.94 -1.94 115.31 106.99 3ig4 h LEU 347 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3ig4 h LEU 347 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 3ig4 h LEU 347 CO 0.00 0.00 -0.86 -1.81 0.09 0.00 0.00 178.44 175.86 3ig4 s ASP 348 N -5.29 3.10 0.09 -0.43 1.01 -1.26 -4.76 116.67 109.13 3ig4 s ASP 348 Ca -0.01 -0.69 -0.17 0.00 0.71 0.00 0.00 52.55 52.38 3ig4 s ASP 348 Cb 0.10 -0.22 -0.08 0.00 1.01 0.00 0.00 42.92 43.73 3ig4 s ASP 348 CO 0.46 0.18 1.46 0.74 0.21 0.00 0.00 175.17 178.22 3ig4 h THR 349 N 4.02 1.29 -3.30 -1.27 2.02 -1.85 -3.00 112.91 110.82 3ig4 h THR 349 Ca -0.49 -1.16 -0.77 0.00 0.77 0.00 0.00 66.41 64.76 3ig4 h THR 349 Cb 1.16 1.49 -0.24 0.00 -1.74 0.00 0.00 68.15 68.82 3ig4 h THR 349 CO 0.40 0.36 0.50 -1.00 0.37 0.00 0.00 175.52 176.16 3ig4 s HIS 350 N -4.67 3.82 1.05 3.16 3.76 -1.26 -4.41 115.29 116.73 3ig4 s HIS 350 Ca -0.13 -2.18 -0.12 0.00 -0.15 0.00 0.00 55.06 52.48 3ig4 s HIS 350 Cb 0.08 -3.96 0.22 0.00 1.11 0.00 0.00 32.58 30.02 3ig4 s HIS 350 CO 0.78 -1.10 1.07 0.34 -0.85 0.00 0.00 174.74 174.97 3ig4 s ASP 351 N 2.17 2.02 0.76 1.40 2.15 -0.41 -4.96 116.67 119.79 3ig4 s ASP 351 Ca 0.28 1.53 -0.09 0.00 0.43 0.00 0.00 52.55 54.70 3ig4 s ASP 351 Cb -0.08 -2.22 0.07 0.00 -0.30 0.00 0.00 42.92 40.39 3ig4 s ASP 351 CO -0.07 -3.56 1.10 0.68 -0.17 0.00 0.00 175.17 173.15 3ig4 s VAL 352 N -2.68 2.18 0.00 1.11 -7.23 -1.26 -4.62 120.40 107.90 3ig4 s VAL 352 Ca 0.67 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 3ig4 s VAL 352 Cb -0.22 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.70 3ig4 s VAL 352 CO 0.61 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 3ig4 n GLY 353 N -3.12 3.64 3.80 2.32 0.00 -1.26 -4.69 105.19 105.87 3ig4 n GLY 353 Ca 0.08 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.25 4.05 -0.03 2.61 -4.23 -1.26 -4.97 115.64 110.55 3ig4 s THR 354 Ca 0.00 1.43 0.12 0.00 -1.18 0.00 0.00 61.69 62.06 3ig4 s THR 354 Cb 0.00 -3.67 -0.18 0.00 1.34 0.00 0.00 72.50 69.99 3ig4 s THR 354 CO 0.00 -0.13 0.27 -1.22 -0.54 0.00 0.00 174.62 173.00 3ig4 n TYR 355 N -0.33 0.00 -1.69 3.99 4.02 -1.26 -4.75 117.16 117.13 3ig4 n TYR 355 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 3ig4 n TYR 355 Cb 0.52 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 3ig4 n TYR 355 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3ig4 s LYS 356 N -2.79 4.13 -1.16 -0.72 2.47 -1.26 -2.01 119.74 118.41 3ig4 s LYS 356 Ca -0.04 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 56.98 3ig4 s LYS 356 Cb 0.08 -3.76 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 3ig4 s LYS 356 CO 0.49 -0.88 0.00 -0.25 0.16 0.00 0.00 175.35 174.87 3ig4 n ASP 357 N 6.23 -5.49 -4.72 1.43 8.00 -1.26 -4.91 116.55 115.82 3ig4 n ASP 357 Ca 0.18 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 3ig4 n ASP 357 Cb 0.39 -3.96 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 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 -2.85 4.29 -0.07 -1.24 6.06 -0.85 -4.96 118.95 119.34 3ig4 s ARG 358 Ca 0.00 2.17 0.02 0.00 -2.50 0.00 0.00 55.73 55.43 3ig4 s ARG 358 Cb 0.00 -3.20 -0.03 0.00 0.06 0.00 0.00 34.95 31.78 3ig4 s ARG 358 CO 0.00 -0.46 -0.12 0.14 -2.50 0.00 0.00 175.30 172.36 3ig4 s VAL 359 N 0.88 3.28 0.56 7.11 -7.23 -1.26 -0.72 120.40 123.02 3ig4 s VAL 359 Ca 0.65 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 3ig4 s VAL 359 Cb -0.39 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3ig4 s VAL 359 CO 0.33 0.58 1.26 -0.76 -0.31 0.00 0.00 175.10 176.20 3ig4 s LEU 360 N -0.61 3.78 0.09 1.32 1.02 0.39 -4.87 118.68 119.80 3ig4 s LEU 360 Ca 0.09 2.52 -0.09 0.00 0.02 0.00 0.00 54.13 56.67 3ig4 s LEU 360 Cb -0.11 -4.43 -0.00 0.00 0.02 0.00 0.00 46.19 41.66 3ig4 s LEU 360 CO 0.01 -1.51 0.18 -1.61 0.02 0.00 0.00 176.35 173.45 3ig4 s GLU 361 N -3.09 0.84 0.25 1.70 2.02 -1.26 -1.81 118.70 117.35 3ig4 s GLU 361 Ca 0.74 -0.96 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 3ig4 s GLU 361 Cb -0.34 0.34 -0.14 0.00 0.10 0.00 0.00 34.13 34.09 3ig4 s GLU 361 CO 0.39 -0.26 1.20 -1.91 0.02 0.00 0.00 175.26 174.69 3ig4 n GLU 362 N -0.05 1.59 0.00 1.61 2.13 -1.26 -4.73 120.64 119.92 3ig4 n GLU 362 Ca -0.15 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3ig4 n GLU 362 Cb 0.62 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 1.65 0.70 3.62 8.31 0.00 -0.61 -4.90 105.19 113.95 3ig4 n GLY 363 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.88 -0.46 0.11 1.61 1.01 -1.26 -0.97 120.40 119.56 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 -0.02 0.27 0.00 0.00 0.00 175.10 175.35 3ig4 s ILE 366 N 2.21 0.49 0.24 2.22 -4.36 0.11 -1.57 121.20 120.53 3ig4 s ILE 366 Ca -0.08 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.46 3ig4 s ILE 366 Cb -0.08 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 3ig4 s ILE 366 CO -0.19 -0.73 0.18 0.42 0.24 0.00 0.00 174.94 174.87 3ig4 s THR 367 N -3.77 4.45 -0.09 8.37 -4.23 -0.64 0.15 115.64 119.88 3ig4 s THR 367 Ca 0.16 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3ig4 s THR 367 Cb 0.06 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.56 3ig4 s THR 367 CO -0.03 -0.30 0.00 -0.63 -0.54 0.00 0.00 174.62 173.12 3ig4 s ILE 368 N -2.06 0.41 -0.41 2.99 -1.09 -0.60 -3.79 121.20 116.64 3ig4 s ILE 368 Ca 0.32 0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.85 3ig4 s ILE 368 Cb -0.08 -0.61 0.27 0.00 -1.58 0.00 0.00 42.46 40.45 3ig4 s ILE 368 CO 0.25 0.20 0.65 -1.84 -1.23 0.00 0.00 174.94 172.96 3ig4 n GLU 369 N 5.13 0.78 -1.12 2.79 0.28 0.14 -1.43 120.64 127.21 3ig4 n GLU 369 Ca -0.07 -2.91 -0.30 0.00 -0.16 0.00 0.00 57.16 53.72 3ig4 n GLU 369 Cb 0.50 -1.33 0.13 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 -0.96 1.44 0.15 3.44 0.04 -1.24 -4.74 135.00 133.14 3ig4 s PRO 370 Ca 0.35 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 3ig4 s PRO 370 Cb 0.22 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 33.00 3ig4 s PRO 370 CO -0.13 -2.17 0.78 0.20 0.04 0.00 0.00 177.00 175.71 3ig4 s GLY 371 N -3.26 -0.36 -0.01 0.56 0.00 -1.26 -2.80 107.32 100.20 3ig4 s GLY 371 Ca 0.63 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.68 3ig4 s GLY 371 CO 0.57 0.10 -0.06 1.08 0.00 0.00 0.00 173.10 174.79 3ig4 s LEU 372 N -2.78 1.95 -0.22 0.66 1.43 -0.45 -4.65 118.68 114.62 3ig4 s LEU 372 Ca 0.07 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3ig4 s LEU 372 Cb -0.02 -0.32 0.07 0.00 0.03 0.00 0.00 46.19 45.94 3ig4 s LEU 372 CO -0.03 0.06 0.03 -0.31 0.23 0.00 0.00 176.35 176.33 3ig4 s TYR 373 N -0.05 1.38 -0.53 0.29 2.02 0.26 -1.33 117.35 119.39 3ig4 s TYR 373 Ca 0.01 -1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 55.53 3ig4 s TYR 373 Cb -0.03 -1.23 0.14 0.00 -0.40 0.00 0.00 41.96 40.44 3ig4 s TYR 373 CO -0.00 -0.68 0.34 0.42 -1.57 0.00 0.00 175.55 174.06 3ig4 s ILE 374 N 1.74 3.57 0.12 2.71 1.01 0.31 -4.46 121.20 126.19 3ig4 s ILE 374 Ca -0.00 -2.55 -0.24 0.00 0.00 0.00 0.00 60.65 57.86 3ig4 s ILE 374 Cb -0.17 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 3ig4 s ILE 374 CO -0.10 -0.80 1.67 -0.08 0.00 0.00 0.00 174.94 175.63 3ig4 h GLU 375 N 7.50 -0.25 0.00 2.79 4.81 -1.92 -0.87 114.58 126.64 3ig4 h GLU 375 Ca -0.07 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ig4 h GLU 375 Cb 1.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3ig4 h GLU 375 CO 0.71 -0.17 0.00 -0.85 -0.73 0.00 0.00 179.01 177.98 3ig4 n GLU 376 N -5.29 0.13 0.00 1.92 0.00 -1.26 -1.13 120.64 115.01 3ig4 n GLU 376 Ca -0.05 0.19 0.05 0.00 0.00 0.00 0.00 57.16 57.35 3ig4 n GLU 376 Cb 0.21 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.18 3ig4 n GLU 376 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ig4 n GLU 377 N -1.35 0.79 -3.79 3.44 1.02 -0.79 -5.00 120.64 114.95 3ig4 n GLU 377 Ca 0.05 -0.98 -0.25 0.00 -0.02 0.00 0.00 57.16 55.96 3ig4 n GLU 377 Cb 0.12 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.37 -3.03 -3.96 1.62 7.64 -0.29 -4.98 113.62 111.00 3ig4 n SER 378 Ca 0.05 -0.79 -0.28 0.00 1.01 0.00 0.00 58.87 58.87 3ig4 n SER 378 Cb 0.24 -4.02 -0.17 0.00 -1.01 0.00 0.00 64.21 59.25 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 -3.49 1.22 -0.09 0.44 1.01 -0.99 -4.04 121.20 115.25 3ig4 s ILE 379 Ca 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3ig4 s ILE 379 Cb -0.16 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3ig4 s ILE 379 CO 0.82 0.40 -0.08 -0.83 0.00 0.00 0.00 174.94 175.25 3ig4 s GLY 380 N 1.50 0.76 -0.04 6.18 0.00 -1.26 -0.53 107.32 113.92 3ig4 s GLY 380 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.32 3ig4 s GLY 380 CO -0.07 0.65 -0.07 -0.42 0.00 0.00 0.00 173.10 173.19 3ig4 s ILE 381 N 1.43 0.68 -0.01 0.90 1.01 -0.44 -4.67 121.20 120.11 3ig4 s ILE 381 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3ig4 s ILE 381 Cb -0.13 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3ig4 s ILE 381 CO -0.05 0.24 0.02 -0.60 0.00 0.00 0.00 174.94 174.56 3ig4 s ARG 382 N 0.65 0.03 -0.06 2.79 3.52 -1.26 -1.34 118.95 123.28 3ig4 s ARG 382 Ca -0.10 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.51 3ig4 s ARG 382 Cb -0.13 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.30 3ig4 s ARG 382 CO 0.01 -0.00 -0.02 0.42 -0.81 0.00 0.00 175.30 174.89 3ig4 s ILE 383 N -0.02 0.47 -0.04 4.11 1.01 -1.12 -3.83 121.20 121.78 3ig4 s ILE 383 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 3ig4 s ILE 383 Cb -0.00 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.94 3ig4 s ILE 383 CO 0.00 0.24 0.02 -0.70 0.00 0.00 0.00 174.94 174.50 3ig4 s GLU 384 N 1.43 0.21 0.28 2.79 2.12 -0.76 -3.62 118.70 121.14 3ig4 s GLU 384 Ca -0.03 0.16 0.08 0.00 0.36 0.00 0.00 54.97 55.54 3ig4 s GLU 384 Cb -0.13 -0.51 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 3ig4 s GLU 384 CO -0.03 -0.20 0.18 -0.51 -0.54 0.00 0.00 175.26 174.16 3ig4 s ASP 385 N 1.40 5.24 -0.33 -1.70 1.01 -0.51 -3.39 116.67 118.37 3ig4 s ASP 385 Ca -0.05 -0.41 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 3ig4 s ASP 385 Cb -0.13 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.64 3ig4 s ASP 385 CO -0.03 -0.12 0.17 -1.81 0.21 0.00 0.00 175.17 173.60 3ig4 s ASP 386 N -3.85 5.62 -0.11 0.27 1.01 -1.26 -1.56 116.67 116.79 3ig4 s ASP 386 Ca 0.35 -0.69 -0.04 0.00 0.71 0.00 0.00 52.55 52.88 3ig4 s ASP 386 Cb -0.07 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 3ig4 s ASP 386 CO 0.24 -0.26 0.02 -0.63 0.21 0.00 0.00 175.17 174.75 3ig4 s ILE 387 N 1.59 4.49 -0.17 0.77 -1.09 0.39 -1.72 121.20 125.47 3ig4 s ILE 387 Ca 0.04 -0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.20 3ig4 s ILE 387 Cb -0.18 -2.93 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 3ig4 s ILE 387 CO 0.06 0.57 0.13 -0.22 -1.23 0.00 0.00 174.94 174.26 3ig4 s LEU 388 N -0.57 4.25 -0.08 2.97 2.96 -0.10 0.05 118.68 128.16 3ig4 s LEU 388 Ca 0.10 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 54.05 3ig4 s LEU 388 Cb -0.12 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3ig4 s LEU 388 CO 0.02 0.26 0.86 -0.69 -1.32 0.00 0.00 176.35 175.47 3ig4 s VAL 389 N -0.11 4.92 0.57 1.68 1.01 -1.26 -0.56 120.40 126.64 3ig4 s VAL 389 Ca 0.10 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.90 3ig4 s VAL 389 Cb -0.11 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.15 3ig4 s VAL 389 CO 0.00 0.13 0.55 0.35 0.00 0.00 0.00 175.10 176.13 3ig4 n THR 390 N 4.19 0.00 -0.28 3.92 -2.24 0.83 -1.57 114.28 119.13 3ig4 n THR 390 Ca 0.04 -2.12 0.16 0.00 -2.27 0.00 0.00 64.05 59.86 3ig4 n THR 390 Cb 0.50 -0.19 0.44 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.54 0.00 -0.78 3.64 -1.96 -3.19 116.57 114.82 3ig4 h LYS 391 Ca -0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3ig4 h LYS 391 Cb 1.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3ig4 h LYS 391 CO 0.50 0.36 -0.12 -0.40 -2.27 0.00 0.00 179.45 177.52 3ig4 n ASP 392 N -4.58 0.02 0.00 4.20 5.75 -1.26 -4.75 116.55 115.93 3ig4 n ASP 392 Ca 0.20 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3ig4 n ASP 392 Cb 0.62 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 -0.01 1.42 3.16 6.12 0.00 -1.20 -4.85 105.19 109.83 3ig4 n GLY 393 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.40 0.49 -0.08 1.61 -3.43 -1.23 -0.12 115.29 113.92 3ig4 s HIS 394 Ca 0.00 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.31 3ig4 s HIS 394 Cb 0.00 -0.29 0.02 0.00 -1.43 0.00 0.00 32.58 30.88 3ig4 s HIS 394 CO 0.00 -0.49 -0.07 -2.00 -2.00 0.00 0.00 174.74 170.19 3ig4 s GLU 395 N -3.94 1.30 -0.83 -0.38 2.12 0.27 -4.80 118.70 112.44 3ig4 s GLU 395 Ca 0.11 -0.20 -0.26 0.00 0.36 0.00 0.00 54.97 54.98 3ig4 s GLU 395 Cb 0.07 -1.32 0.03 0.00 0.26 0.00 0.00 34.13 33.17 3ig4 s GLU 395 CO -0.07 -0.18 1.36 1.21 -0.54 0.00 0.00 175.26 177.04 3ig4 s ASN 396 N 1.38 6.24 0.66 -1.70 3.84 -1.26 -0.92 114.94 123.18 3ig4 s ASN 396 Ca -0.02 -0.76 0.38 0.00 0.21 0.00 0.00 52.86 52.67 3ig4 s ASN 396 Cb -0.14 -2.56 2.09 0.00 -0.55 0.00 0.00 41.25 40.09 3ig4 s ASN 396 CO -0.04 -1.75 2.18 -0.07 -2.79 0.00 0.00 177.10 174.62 3ig4 h LEU 397 N 13.09 0.00 -3.10 3.21 3.38 -1.70 -2.42 115.31 127.77 3ig4 h LEU 397 Ca -0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3ig4 h LEU 397 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3ig4 h LEU 397 CO 1.33 0.00 -0.44 -1.54 0.09 0.00 0.00 178.44 177.88 3ig4 n SER 398 N -2.98 2.02 0.23 -0.43 3.41 -1.25 -4.77 113.62 109.85 3ig4 n SER 398 Ca -0.03 -3.88 0.06 0.00 -0.26 0.00 0.00 58.87 54.76 3ig4 n SER 398 Cb 0.19 -0.54 0.53 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.80 -2.79 116.57 119.48 3ig4 h LYS 399 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3ig4 h LYS 399 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3ig4 h LYS 399 CO 0.11 0.18 0.00 -0.44 -2.00 0.00 0.00 179.45 177.31 3ig4 h ASP 400 N 0.00 0.00 -3.01 7.07 3.32 -1.86 -3.41 116.42 118.53 3ig4 h ASP 400 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3ig4 h ASP 400 Cb 0.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3ig4 h ASP 400 CO 0.02 0.00 0.94 -0.63 -1.72 0.00 0.00 179.24 177.85 3ig4 s ILE 401 N -3.57 4.21 0.14 0.35 1.01 -1.05 -4.98 121.20 117.31 3ig4 s ILE 401 Ca 0.00 1.42 -0.31 0.00 0.00 0.00 0.00 60.65 61.77 3ig4 s ILE 401 Cb 0.09 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 3ig4 s ILE 401 CO 0.37 -0.29 1.42 0.27 0.00 0.00 0.00 174.94 176.70 3ig4 s ILE 402 N 3.92 3.14 -0.00 2.92 -4.36 -1.26 -4.92 121.20 120.64 3ig4 s ILE 402 Ca 0.56 0.83 0.01 0.00 -0.26 0.00 0.00 60.65 61.79 3ig4 s ILE 402 Cb -0.19 -3.53 -0.02 0.00 1.25 0.00 0.00 42.46 39.96 3ig4 s ILE 402 CO 0.18 0.07 0.02 0.54 0.24 0.00 0.00 174.94 176.00 3ig4 n ARG 403 N 3.76 0.81 -2.31 0.37 5.12 -1.26 -4.85 116.66 118.30 3ig4 n ARG 403 Ca 0.11 -0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.63 3ig4 n ARG 403 Cb 0.42 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.08 4.23 0.30 5.56 0.41 -1.26 -4.85 118.70 121.01 3ig4 s GLU 404 Ca -0.00 1.89 0.06 0.00 -0.41 0.00 0.00 54.97 56.50 3ig4 s GLU 404 Cb 0.01 -2.84 0.76 0.00 -1.78 0.00 0.00 34.13 30.27 3ig4 s GLU 404 CO 0.05 -0.18 1.74 0.28 -0.49 0.00 0.00 175.26 176.66 3ig4 h VAL 405 N 2.60 0.59 -0.11 2.63 2.07 -1.99 0.01 116.25 122.06 3ig4 h VAL 405 Ca -0.48 -0.20 -0.21 0.00 0.82 0.00 0.00 66.70 66.62 3ig4 h VAL 405 Cb 1.23 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3ig4 h VAL 405 CO 0.64 0.11 -0.78 -0.33 0.02 0.00 0.00 177.57 177.23 3ig4 h GLU 406 N 0.59 0.62 -0.79 1.57 3.07 -1.99 -1.83 114.58 115.83 3ig4 h GLU 406 Ca 0.58 -0.52 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3ig4 h GLU 406 Cb 1.02 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 3ig4 h GLU 406 CO -0.45 1.14 0.39 0.93 -1.40 0.00 0.00 179.01 179.63 3ig4 h GLU 407 N 0.42 1.12 0.13 2.33 5.08 -1.54 0.11 114.58 122.24 3ig4 h GLU 407 Ca -0.05 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ig4 h GLU 407 Cb 1.39 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ig4 h GLU 407 CO 0.15 0.86 -0.06 0.82 -1.00 0.00 0.00 179.01 179.78 3ig4 h ILE 408 N 1.11 1.03 -0.98 3.13 2.04 -1.03 0.59 117.51 123.39 3ig4 h ILE 408 Ca 0.27 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3ig4 h ILE 408 Cb 0.09 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3ig4 h ILE 408 CO -0.04 0.18 0.64 -0.33 0.00 0.00 0.00 178.15 178.60 3ig4 h GLU 409 N -0.56 1.12 -0.22 2.37 5.08 -1.22 -2.27 114.58 118.88 3ig4 h GLU 409 Ca -0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3ig4 h GLU 409 Cb 0.44 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ig4 h GLU 409 CO 0.03 0.74 0.02 1.49 -1.00 0.00 0.00 179.01 180.29 3ig4 h GLU 410 N 1.16 0.38 -0.23 2.33 4.57 -0.74 -2.32 114.58 119.74 3ig4 h GLU 410 Ca 0.42 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3ig4 h GLU 410 Cb 0.16 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3ig4 h GLU 410 CO -0.16 0.55 0.00 0.34 -1.18 0.00 0.00 179.01 178.56 3ig4 n PHE 411 N -4.69 0.00 0.00 0.92 7.35 0.19 -0.99 117.46 120.25 3ig4 n PHE 411 Ca -0.04 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3ig4 n PHE 411 Cb 0.22 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.03 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 0.53 0.00 -0.23 -4.13 0.63 -0.87 -1.11 116.66 111.47 3ig4 n ARG 413 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3ig4 n ARG 413 Cb 0.01 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.00 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 1.08 0.00 -0.14 5.08 -1.34 -3.36 114.58 115.90 3ig4 h GLU 414 Ca 0.00 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 3ig4 h GLU 414 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3ig4 h GLU 414 CO 0.00 0.96 -1.57 0.09 -1.00 0.00 0.00 179.01 177.49 3ig4 n ASN 415 N -4.24 2.43 -4.58 1.42 4.13 -0.27 -4.94 115.26 109.21 3ig4 n ASN 415 Ca 0.05 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.88 3ig4 n ASN 415 Cb 0.25 1.32 -0.03 0.00 -1.54 0.00 0.00 39.78 39.78 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 -3.55 6.51 0.20 6.41 3.84 -1.26 -4.84 114.94 122.25 3ig4 s ASN 416 Ca -0.04 0.18 -0.02 0.00 0.21 0.00 0.00 52.86 53.18 3ig4 s ASN 416 Cb 0.06 -2.51 0.42 0.00 -0.55 0.00 0.00 41.25 38.67 3ig4 s ASN 416 CO 0.46 -1.26 1.04 0.52 -2.79 0.00 0.00 177.10 175.07 3ig4 n VAL 417 N 6.61 -0.28 -2.67 -5.21 0.31 -1.25 -2.79 118.33 113.06 3ig4 n VAL 417 Ca 0.08 1.50 -0.33 0.00 -0.01 0.00 0.00 64.34 65.58 3ig4 n VAL 417 Cb 0.49 -2.13 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 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 -4.98 5.78 0.00 4.52 2.04 -1.26 -5.20 115.26 116.17 3ig4 n ASN 418 Ca 0.13 -3.71 0.00 0.00 -0.44 0.00 0.00 54.58 50.56 3ig4 n ASN 418 Cb 0.43 -0.80 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34