#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 -0.42 3.14 4.64 -1.81 0.25 113.55 119.35 3ig4 h SER 3 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3ig4 h SER 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ig4 h SER 3 CO 0.00 0.00 0.29 0.50 -0.87 0.00 0.00 176.83 176.75 3ig4 h LYS 4 N 0.00 0.16 -0.52 4.77 3.64 -1.89 -0.51 116.57 122.21 3ig4 h LYS 4 Ca 0.50 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.80 3ig4 h LYS 4 Cb 2.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 3ig4 h LYS 4 CO -0.01 0.11 0.03 0.35 -2.27 0.00 0.00 179.45 177.66 3ig4 h PHE 5 N 0.16 0.97 0.05 1.91 3.57 -0.90 -2.19 116.94 120.51 3ig4 h PHE 5 Ca 0.20 -0.16 -0.23 0.00 3.53 0.00 0.00 57.97 61.31 3ig4 h PHE 5 Cb 0.57 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3ig4 h PHE 5 CO -0.00 0.89 -1.05 0.74 -2.23 0.00 0.00 178.31 176.66 3ig4 h PHE 6 N 0.77 0.36 -1.00 0.41 0.04 -1.47 -2.50 116.94 113.56 3ig4 h PHE 6 Ca 0.15 -0.23 0.01 0.00 2.80 0.00 0.00 57.97 60.70 3ig4 h PHE 6 Cb 0.48 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 3ig4 h PHE 6 CO 0.04 1.12 0.66 0.00 -0.60 0.00 0.00 178.31 179.52 3ig4 h ALA 7 N 0.80 1.29 -0.21 2.45 0.00 -1.07 -1.04 119.26 121.47 3ig4 h ALA 7 Ca -0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3ig4 h ALA 7 Cb 1.74 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3ig4 h ALA 7 CO 0.16 0.66 -0.52 1.96 0.00 0.00 0.00 179.25 181.52 3ig4 h GLN 8 N 1.35 0.61 -0.53 0.00 4.20 -1.36 -1.57 115.11 117.81 3ig4 h GLN 8 Ca 0.36 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3ig4 h GLN 8 Cb -0.16 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3ig4 h GLN 8 CO -0.08 0.98 0.29 -0.91 -0.67 0.00 0.00 178.83 178.45 3ig4 h ASN 9 N 0.48 0.45 -0.49 1.46 2.35 -1.00 -0.23 115.58 118.60 3ig4 h ASN 9 Ca 0.02 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3ig4 h ASN 9 Cb 1.07 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 3ig4 h ASN 9 CO 0.10 0.31 0.19 0.03 -1.65 0.00 0.00 177.43 176.41 3ig4 h ARG 10 N 0.58 0.79 -0.57 0.81 3.08 -1.03 0.65 114.38 118.69 3ig4 h ARG 10 Ca 0.22 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3ig4 h ARG 10 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ig4 h ARG 10 CO -0.13 0.67 0.16 0.93 -1.07 0.00 0.00 179.97 180.54 3ig4 h GLU 11 N 0.78 0.89 -0.30 0.04 5.08 -0.35 0.08 114.58 120.80 3ig4 h GLU 11 Ca 0.18 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3ig4 h GLU 11 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3ig4 h GLU 11 CO -0.01 0.82 -0.14 0.00 -1.00 0.00 0.00 179.01 178.67 3ig4 h ARG 12 N 0.80 0.63 -0.42 2.33 3.08 -0.80 -3.06 114.38 116.94 3ig4 h ARG 12 Ca 0.18 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 60.02 3ig4 h ARG 12 Cb 0.31 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3ig4 h ARG 12 CO -0.00 0.85 0.09 1.25 -1.07 0.00 0.00 179.97 181.09 3ig4 h LEU 13 N 0.38 0.03 -1.13 3.04 5.85 -0.71 -1.93 115.31 120.83 3ig4 h LEU 13 Ca 0.07 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.03 3ig4 h LEU 13 Cb 0.66 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 3ig4 h LEU 13 CO 0.04 0.05 0.61 0.58 -0.34 0.00 0.00 178.44 179.39 3ig4 h VAL 14 N 0.23 0.75 0.00 1.05 2.07 -0.90 0.81 116.25 120.26 3ig4 h VAL 14 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ig4 h VAL 14 Cb 0.24 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3ig4 h VAL 14 CO -0.25 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.06 3ig4 n ASN 15 N -4.67 0.15 -0.23 0.57 3.02 -0.73 -2.16 115.26 111.22 3ig4 n ASN 15 Ca 0.21 0.53 0.11 0.00 -0.03 0.00 0.00 54.58 55.41 3ig4 n ASN 15 Cb 0.55 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.67 0.00 -3.97 3.41 -2.24 0.27 -4.94 114.28 105.15 3ig4 n THR 16 Ca 0.04 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 3ig4 n THR 16 Cb 0.20 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.72 4.21 0.89 3.22 1.43 -0.92 -5.09 118.68 119.70 3ig4 s LEU 17 Ca 0.15 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 3ig4 s LEU 17 Cb 0.18 -2.45 0.12 0.00 0.03 0.00 0.00 46.19 44.07 3ig4 s LEU 17 CO 0.68 0.28 1.09 -2.16 0.23 0.00 0.00 176.35 176.47 3ig4 s PRO 18 N -1.79 1.33 0.75 1.29 0.04 -1.26 -5.01 135.00 130.35 3ig4 s PRO 18 Ca 0.25 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3ig4 s PRO 18 Cb -0.12 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.65 3ig4 s PRO 18 CO 0.16 -2.23 1.12 0.34 0.04 0.00 0.00 177.00 176.43 3ig4 s ASP 19 N -3.31 5.05 -1.24 6.66 2.15 -1.26 -4.25 116.67 120.47 3ig4 s ASP 19 Ca 0.63 1.06 -0.02 0.00 0.43 0.00 0.00 52.55 54.66 3ig4 s ASP 19 Cb -0.19 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 3ig4 s ASP 19 CO 0.57 -1.59 1.02 -0.62 -0.17 0.00 0.00 175.17 174.38 3ig4 n GLU 20 N -3.16 -6.77 -3.81 4.34 -0.58 0.51 -5.01 120.64 106.16 3ig4 n GLU 20 Ca 0.07 0.83 -0.12 0.00 -0.42 0.00 0.00 57.16 57.52 3ig4 n GLU 20 Cb 0.58 -5.83 -0.11 0.00 -0.57 0.00 0.00 31.44 25.51 3ig4 n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ig4 s SER 21 N -4.16 -0.16 -0.04 1.62 1.04 -0.93 -4.30 113.70 106.77 3ig4 s SER 21 Ca 0.11 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.81 3ig4 s SER 21 Cb -0.05 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3ig4 s SER 21 CO 0.74 -0.21 -0.14 -0.51 0.98 0.00 0.00 173.24 174.09 3ig4 s ILE 22 N -0.50 3.08 -0.04 -1.02 2.07 -0.54 -1.79 121.20 122.46 3ig4 s ILE 22 Ca -0.06 -0.75 0.06 0.00 -1.41 0.00 0.00 60.65 58.49 3ig4 s ILE 22 Cb -0.04 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.32 3ig4 s ILE 22 CO 0.01 0.57 -0.23 -0.89 -1.91 0.00 0.00 174.94 172.49 3ig4 s THR 23 N -0.76 2.30 -0.04 4.00 2.01 -0.35 -0.15 115.64 122.65 3ig4 s THR 23 Ca 0.12 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3ig4 s THR 23 Cb -0.11 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.58 3ig4 s THR 23 CO 0.01 0.58 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 3ig4 s ILE 24 N -0.48 0.86 0.06 1.82 1.01 -0.43 -0.75 121.20 123.29 3ig4 s ILE 24 Ca 0.06 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.46 3ig4 s ILE 24 Cb -0.11 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3ig4 s ILE 24 CO 0.01 0.28 -0.26 -0.76 0.00 0.00 0.00 174.94 174.21 3ig4 s LEU 25 N 0.55 2.20 -0.11 2.97 1.43 0.02 -4.15 118.68 121.59 3ig4 s LEU 25 Ca -0.10 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 3ig4 s LEU 25 Cb -0.13 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3ig4 s LEU 25 CO 0.02 0.24 -0.19 -0.36 0.23 0.00 0.00 176.35 176.28 3ig4 s PHE 26 N -0.85 2.67 0.37 0.29 0.08 -1.26 -0.60 117.98 118.67 3ig4 s PHE 26 Ca 0.12 -0.86 0.08 0.00 0.12 0.00 0.00 56.93 56.38 3ig4 s PHE 26 Cb -0.10 -1.77 0.73 0.00 -0.57 0.00 0.00 43.02 41.32 3ig4 s PHE 26 CO 0.03 -0.32 1.90 0.00 -0.10 0.00 0.00 175.22 176.73 3ig4 h ALA 27 N 6.69 1.47 0.00 5.36 0.00 -1.44 -3.46 119.26 127.88 3ig4 h ALA 27 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ig4 h ALA 27 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ig4 h ALA 27 CO 0.51 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.54 3ig4 n GLY 28 N -0.87 -2.24 3.24 0.00 0.00 -1.26 -4.28 105.19 99.77 3ig4 n GLY 28 Ca -0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3ig4 n GLY 28 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ig4 s GLN 29 N -0.48 1.26 0.14 1.61 0.00 -1.26 -0.61 119.66 120.32 3ig4 s GLN 29 Ca 0.00 -1.67 -0.31 0.00 -0.00 0.00 0.00 55.36 53.38 3ig4 s GLN 29 Cb 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 33.01 33.04 3ig4 s GLN 29 CO 0.00 -0.36 1.30 0.00 0.00 0.00 0.00 175.29 176.23 3ig4 s ALA 30 N -4.04 3.51 0.79 2.60 0.00 -1.26 -4.96 121.76 118.40 3ig4 s ALA 30 Ca 0.39 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3ig4 s ALA 30 Cb 0.07 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3ig4 s ALA 30 CO 0.12 -0.52 1.12 -1.25 0.00 0.00 0.00 175.76 175.23 3ig4 s PRO 31 N 0.55 2.01 1.08 0.00 0.04 -1.26 -4.76 135.00 132.66 3ig4 s PRO 31 Ca 0.59 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 3ig4 s PRO 31 Cb -0.35 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.58 3ig4 s PRO 31 CO 0.33 -1.86 1.07 -1.58 0.04 0.00 0.00 177.00 175.00 3ig4 s HIS 32 N -2.68 1.74 -0.16 0.56 5.65 -1.26 -1.85 115.29 117.29 3ig4 s HIS 32 Ca 0.65 1.01 -0.09 0.00 0.25 0.00 0.00 55.06 56.88 3ig4 s HIS 32 Cb -0.20 -3.21 -0.05 0.00 -1.18 0.00 0.00 32.58 27.95 3ig4 s HIS 32 CO 0.53 -3.37 0.13 0.45 -0.65 0.00 0.00 174.74 171.84 3ig4 s SER 34 N -3.12 6.28 1.28 9.88 0.15 -0.92 -4.71 113.70 122.55 3ig4 s SER 34 Ca 0.67 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3ig4 s SER 34 Cb -0.21 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 3ig4 s SER 34 CO 0.60 0.28 0.00 0.00 1.20 0.00 0.00 173.24 175.33 3ig4 n ALA 35 N 2.84 0.00 1.60 5.45 0.00 -1.26 -0.11 120.51 129.03 3ig4 n ALA 35 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 3ig4 n ALA 35 Cb 0.53 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.53 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 3.23 0.97 -4.82 0.00 5.75 -1.26 -4.89 116.55 115.53 3ig4 n ASP 36 Ca 0.00 -1.48 -0.37 0.00 -0.01 0.00 0.00 54.79 52.93 3ig4 n ASP 36 Cb 0.00 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.92 3.54 0.31 2.12 0.00 0.85 -5.08 121.76 121.57 3ig4 s ALA 37 Ca 0.35 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.44 3ig4 s ALA 37 Cb 0.18 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 3ig4 s ALA 37 CO 0.29 0.39 0.06 -1.01 0.00 0.00 0.00 175.76 175.48 3ig4 s HIS 38 N -1.30 2.67 0.95 0.00 3.76 -1.26 -2.16 115.29 117.95 3ig4 s HIS 38 Ca 0.35 -0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 3ig4 s HIS 38 Cb -0.18 -1.43 0.16 0.00 1.11 0.00 0.00 32.58 32.24 3ig4 s HIS 38 CO 0.20 0.48 1.11 0.71 -0.85 0.00 0.00 174.74 176.39 3ig4 s TYR 39 N -2.41 2.29 0.26 1.40 2.02 -0.77 -4.94 117.35 115.21 3ig4 s TYR 39 Ca 0.35 0.98 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 3ig4 s TYR 39 Cb -0.04 -3.29 -0.11 0.00 -0.40 0.00 0.00 41.96 38.13 3ig4 s TYR 39 CO 0.21 -2.62 1.53 0.15 -1.57 0.00 0.00 175.55 173.24 3ig4 s LYS 40 N -5.07 4.19 0.20 -0.62 1.02 -1.26 -4.74 119.74 113.45 3ig4 s LYS 40 Ca 0.64 2.44 -0.31 0.00 0.02 0.00 0.00 55.97 58.76 3ig4 s LYS 40 Cb -0.17 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.97 3ig4 s LYS 40 CO 0.56 -0.54 1.54 0.12 -0.92 0.00 0.00 175.35 176.11 3ig4 s PHE 41 N 0.09 3.02 -0.26 3.18 5.36 -1.26 -4.90 117.98 123.22 3ig4 s PHE 41 Ca 0.62 0.73 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 3ig4 s PHE 41 Cb -0.45 -3.92 0.06 0.00 -0.34 0.00 0.00 43.02 38.37 3ig4 s PHE 41 CO 0.44 -3.26 -0.11 0.08 -1.46 0.00 0.00 175.22 170.91 3ig4 s VAL 42 N 0.76 2.19 0.24 3.12 1.01 -1.26 -5.08 120.40 121.38 3ig4 s VAL 42 Ca 0.67 -1.61 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3ig4 s VAL 42 Cb -0.44 -2.28 -0.14 0.00 0.00 0.00 0.00 36.38 33.53 3ig4 s VAL 42 CO 0.36 -0.02 1.37 -2.65 0.00 0.00 0.00 175.10 174.17 3ig4 n PRO 43 N 4.44 1.94 -1.71 2.72 -0.02 -1.26 -4.85 135.00 136.26 3ig4 n PRO 43 Ca -0.14 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3ig4 n PRO 43 Cb 0.42 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.23 6.13 0.19 2.55 3.84 -1.26 -4.89 114.94 121.73 3ig4 s ASN 44 Ca 0.68 2.29 -0.12 0.00 0.21 0.00 0.00 52.86 55.92 3ig4 s ASN 44 Cb -0.67 -2.52 0.14 0.00 -0.55 0.00 0.00 41.25 37.65 3ig4 s ASN 44 CO 0.50 -1.36 1.82 0.03 -2.79 0.00 0.00 177.10 175.30 3ig4 h ARG 45 N 12.01 0.67 -0.26 0.43 2.47 -1.93 0.18 114.38 127.96 3ig4 h ARG 45 Ca -0.45 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.25 3ig4 h ARG 45 Cb 1.23 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 3ig4 h ARG 45 CO 0.95 0.45 0.11 -0.91 0.56 0.00 0.00 179.97 181.13 3ig4 h ASN 46 N 0.70 0.16 -0.66 7.04 2.35 -1.98 0.38 115.58 123.56 3ig4 h ASN 46 Ca 0.24 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3ig4 h ASN 46 Cb 0.04 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 3ig4 h ASN 46 CO -0.11 0.13 0.43 0.15 -1.65 0.00 0.00 177.43 176.37 3ig4 h PHE 47 N 0.25 0.81 -0.28 1.19 3.57 -1.66 -1.84 116.94 118.97 3ig4 h PHE 47 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3ig4 h PHE 47 Cb 0.05 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3ig4 h PHE 47 CO -0.11 0.49 0.12 -0.92 -2.23 0.00 0.00 178.31 175.67 3ig4 h TYR 48 N 0.86 0.42 -0.13 0.41 5.03 -0.21 -1.34 116.97 122.03 3ig4 h TYR 48 Ca 0.25 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.57 3ig4 h TYR 48 Cb -0.06 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 3ig4 h TYR 48 CO -0.03 0.41 0.10 -0.92 -1.32 0.00 0.00 178.16 176.39 3ig4 h TYR 49 N 0.31 0.00 0.02 -3.82 3.20 0.29 0.64 116.97 117.61 3ig4 h TYR 49 Ca 0.10 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.64 3ig4 h TYR 49 Cb 0.16 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3ig4 h TYR 49 CO -0.01 0.00 -1.94 0.28 -1.64 0.00 0.00 178.16 174.85 3ig4 n VAL 50 N -4.32 1.58 -0.02 1.81 0.31 -0.74 -4.61 118.33 112.34 3ig4 n VAL 50 Ca 0.00 -0.78 -0.01 0.00 -0.01 0.00 0.00 64.34 63.54 3ig4 n VAL 50 Cb 0.22 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.05 0.27 -1.04 2.52 -2.24 -0.54 -4.64 114.28 105.57 3ig4 n THR 51 Ca -0.24 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 3ig4 n THR 51 Cb 1.07 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.45 0.51 3.65 3.38 0.00 0.22 -4.04 105.19 111.35 3ig4 n GLY 52 Ca -0.07 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.94 5.15 -0.42 -0.61 -1.09 -1.26 -4.85 121.20 116.19 3ig4 s ILE 53 Ca 0.00 0.10 0.15 0.00 -2.23 0.00 0.00 60.65 58.68 3ig4 s ILE 53 Cb 0.00 -3.38 0.51 0.00 -1.58 0.00 0.00 42.46 38.02 3ig4 s ILE 53 CO 0.00 0.39 1.42 -0.90 -1.23 0.00 0.00 174.94 174.62 3ig4 n ASP 54 N 4.04 3.87 -4.95 3.58 5.75 -1.26 -4.51 116.55 123.07 3ig4 n ASP 54 Ca -0.16 -2.74 -0.25 0.00 -0.01 0.00 0.00 54.79 51.63 3ig4 n ASP 54 Cb 0.52 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.34 3.45 0.69 0.11 2.02 -1.26 -4.70 118.70 116.67 3ig4 s GLU 55 Ca 0.39 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.66 3ig4 s GLU 55 Cb 0.30 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.60 3ig4 s GLU 55 CO 0.12 0.48 1.07 -1.25 0.02 0.00 0.00 175.26 175.70 3ig4 s PRO 56 N -3.43 2.86 0.00 0.39 0.04 -1.26 -4.37 135.00 129.23 3ig4 s PRO 56 Ca 0.35 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3ig4 s PRO 56 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3ig4 s PRO 56 CO 0.29 -1.17 0.00 0.09 0.04 0.00 0.00 177.00 176.25 3ig4 n ASN 57 N -2.90 -1.82 -4.90 6.66 3.02 0.22 -4.93 115.26 110.62 3ig4 n ASN 57 Ca 0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.34 3ig4 n ASN 57 Cb 0.53 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.49 4.96 0.02 2.41 1.01 -1.26 -4.73 120.40 120.32 3ig4 s VAL 58 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.24 3ig4 s VAL 58 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3ig4 s VAL 58 CO 0.00 -0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 173.92 3ig4 s ILE 59 N -2.17 1.34 0.53 2.22 1.01 -0.81 -1.10 121.20 122.22 3ig4 s ILE 59 Ca 0.46 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3ig4 s ILE 59 Cb -0.11 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3ig4 s ILE 59 CO 0.30 0.20 0.11 0.33 0.00 0.00 0.00 174.94 175.88 3ig4 n PHE 60 N 2.19 0.77 -3.15 3.97 7.35 0.23 -1.32 117.46 127.49 3ig4 n PHE 60 Ca -0.16 -2.53 0.06 0.00 -0.76 0.00 0.00 57.45 54.05 3ig4 n PHE 60 Cb 0.54 -0.37 -0.02 0.00 0.35 0.00 0.00 39.48 39.98 3ig4 n PHE 60 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3ig4 s LEU 62 N 0.00 -0.08 -0.09 -2.13 0.20 0.07 -0.80 118.68 115.84 3ig4 s LEU 62 Ca 0.08 0.05 -0.13 0.00 0.69 0.00 0.00 54.13 54.82 3ig4 s LEU 62 Cb -0.01 1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 46.77 3ig4 s LEU 62 CO 0.05 -0.01 0.32 -0.54 -0.29 0.00 0.00 176.35 175.87 3ig4 s LYS 63 N 2.93 4.00 -0.37 1.98 1.02 0.63 -1.20 119.74 128.72 3ig4 s LYS 63 Ca -0.09 0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.09 3ig4 s LYS 63 Cb -0.08 -3.31 0.12 0.00 -0.52 0.00 0.00 37.83 34.04 3ig4 s LYS 63 CO -0.07 0.49 0.16 0.21 -0.92 0.00 0.00 175.35 175.22 3ig4 s LYS 64 N -0.33 0.95 -0.07 1.68 2.20 -0.74 -1.23 119.74 122.20 3ig4 s LYS 64 Ca 0.19 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 3ig4 s LYS 64 Cb -0.14 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 3ig4 s LYS 64 CO 0.08 -1.07 -0.05 -0.06 -0.36 0.00 0.00 175.35 173.88 3ig4 s PHE 65 N 1.05 0.98 0.00 4.03 0.08 -1.16 -0.37 117.98 122.59 3ig4 s PHE 65 Ca 0.14 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.83 3ig4 s PHE 65 Cb -0.21 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.36 3ig4 s PHE 65 CO -0.12 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 3ig4 n GLY 66 N 4.55 3.89 0.35 4.36 0.00 -1.26 -0.68 105.19 116.40 3ig4 n GLY 66 Ca -0.16 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 9.24 1.70 -4.84 1.61 3.02 -1.26 -4.93 115.26 119.79 3ig4 n ASN 67 Ca 0.00 -1.34 -0.31 0.00 -0.03 0.00 0.00 54.58 52.90 3ig4 n ASN 67 Cb 0.00 0.61 0.04 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.63 5.63 -0.25 6.41 0.01 0.15 -5.08 113.70 117.93 3ig4 s SER 68 Ca 0.16 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 3ig4 s SER 68 Cb 0.18 -2.41 0.14 0.00 0.21 0.00 0.00 66.02 64.13 3ig4 s SER 68 CO 0.65 -1.27 0.40 -0.69 0.41 0.00 0.00 173.24 172.75 3ig4 s VAL 69 N -3.12 -0.65 -0.23 3.43 1.01 -1.26 -3.00 120.40 116.57 3ig4 s VAL 69 Ca 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3ig4 s VAL 69 Cb -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3ig4 s VAL 69 CO 0.54 -0.12 -0.07 -1.61 0.00 0.00 0.00 175.10 173.84 3ig4 s GLU 70 N 2.58 3.00 -0.13 2.72 2.02 -0.36 -4.96 118.70 123.58 3ig4 s GLU 70 Ca 0.13 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 3ig4 s GLU 70 Cb -0.15 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3ig4 s GLU 70 CO -0.17 -0.32 0.13 -1.21 0.02 0.00 0.00 175.26 173.71 3ig4 s GLU 71 N 1.36 3.50 0.02 1.61 2.02 -1.26 -0.27 118.70 125.67 3ig4 s GLU 71 Ca 0.02 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.88 3ig4 s GLU 71 Cb -0.15 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 3ig4 s GLU 71 CO -0.05 0.72 -0.06 0.99 0.02 0.00 0.00 175.26 176.88 3ig4 s THR 72 N -0.87 0.42 -0.05 3.63 2.01 -1.26 -4.35 115.64 115.16 3ig4 s THR 72 Ca 0.14 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3ig4 s THR 72 Cb -0.12 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3ig4 s THR 72 CO 0.03 -0.13 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.91 3ig4 s LEU 73 N -0.79 2.66 -0.22 4.42 1.43 -0.51 -4.50 118.68 121.16 3ig4 s LEU 73 Ca -0.04 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3ig4 s LEU 73 Cb -0.06 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3ig4 s LEU 73 CO 0.00 0.34 -0.07 -0.36 0.23 0.00 0.00 176.35 176.49 3ig4 s PHE 74 N -0.68 2.95 0.43 0.29 0.40 -0.44 0.25 117.98 121.18 3ig4 s PHE 74 Ca 0.10 -1.15 0.07 0.00 -0.60 0.00 0.00 56.93 55.35 3ig4 s PHE 74 Cb -0.11 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 3ig4 s PHE 74 CO 0.01 -0.62 0.13 0.96 0.70 0.00 0.00 175.22 176.39 3ig4 s ILE 75 N 1.43 2.07 0.31 0.64 -4.36 0.10 -1.93 121.20 119.46 3ig4 s ILE 75 Ca 0.05 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.36 3ig4 s ILE 75 Cb -0.15 -2.87 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 3ig4 s ILE 75 CO -0.05 0.00 1.04 -1.61 0.24 0.00 0.00 174.94 174.57 3ig4 s GLU 76 N -3.87 4.54 0.71 0.37 0.41 -1.26 -0.94 118.70 118.67 3ig4 s GLU 76 Ca 0.36 1.63 -0.12 0.00 -0.41 0.00 0.00 54.97 56.43 3ig4 s GLU 76 Cb 0.05 -3.00 0.02 0.00 -1.78 0.00 0.00 34.13 29.43 3ig4 s GLU 76 CO 0.19 0.18 1.08 0.15 -0.49 0.00 0.00 175.26 176.36 3ig4 s LYS 77 N -1.74 2.71 0.38 1.61 1.02 -1.26 -4.95 119.74 117.52 3ig4 s LYS 77 Ca 0.48 1.10 -0.25 0.00 0.02 0.00 0.00 55.97 57.32 3ig4 s LYS 77 Cb -0.27 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3ig4 s LYS 77 CO 0.34 -1.28 1.04 -1.54 -0.92 0.00 0.00 175.35 172.99 3ig4 s SER 78 N -3.44 6.87 -0.32 2.83 1.04 -1.26 -5.01 113.70 114.40 3ig4 s SER 78 Ca 0.60 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 59.06 3ig4 s SER 78 Cb -0.16 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.48 3ig4 s SER 78 CO 0.52 -0.41 0.09 -0.62 0.98 0.00 0.00 173.24 173.80 3ig4 s ASP 79 N -1.53 4.12 0.65 7.02 -1.08 -1.26 -5.01 116.67 119.58 3ig4 s ASP 79 Ca 0.56 -1.72 0.27 0.00 -0.52 0.00 0.00 52.55 51.14 3ig4 s ASP 79 Cb -0.22 -0.96 1.47 0.00 -1.46 0.00 0.00 42.92 41.74 3ig4 s ASP 79 CO 0.28 -0.41 1.84 -0.65 0.52 0.00 0.00 175.17 176.75 3ig4 h PRO 80 N 8.00 0.00 -0.96 4.34 0.11 -2.01 -2.34 132.00 139.14 3ig4 h PRO 80 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3ig4 h PRO 80 Cb 1.01 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ig4 h PRO 80 CO 0.48 0.00 0.03 0.28 -0.21 0.00 0.00 178.00 178.58 3ig4 n VAL 81 N -3.02 0.71 0.00 3.15 0.31 -1.26 -4.19 118.33 114.03 3ig4 n VAL 81 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3ig4 n VAL 81 Cb 0.49 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.15 0.00 0.00 5.55 1.02 -0.88 -3.85 120.64 122.63 3ig4 n GLU 83 Ca 0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 3ig4 n GLU 83 Cb 0.48 -0.34 0.34 0.00 -0.02 0.00 0.00 31.44 31.90 3ig4 n GLU 83 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ig4 n LYS 84 N -0.09 0.02 -0.11 3.49 5.02 -1.26 -2.45 118.16 122.78 3ig4 n LYS 84 Ca 0.00 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 3ig4 n LYS 84 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3ig4 n LYS 84 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3ig4 n TRP 85 N -1.54 0.00 -0.24 2.13 7.02 -1.25 -4.84 117.44 118.72 3ig4 n TRP 85 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3ig4 n TRP 85 Cb 0.34 -0.86 0.00 0.00 -2.42 0.00 0.00 31.31 28.38 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 -3.46 0.00 0.00 -0.99 0.31 -1.26 -5.14 118.33 107.79 3ig4 n VAL 86 Ca -0.42 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 3ig4 n VAL 86 Cb 0.89 1.24 0.00 0.00 -0.91 0.00 0.00 33.84 35.06 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 0.20 -0.32 3.78 2.92 0.00 -1.02 -4.95 105.19 105.79 3ig4 n GLY 87 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.31 4.15 0.52 1.61 1.02 -1.26 -4.28 119.74 120.19 3ig4 s LYS 88 Ca 0.00 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 57.60 3ig4 s LYS 88 Cb 0.00 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 3ig4 s LYS 88 CO 0.00 -0.17 0.76 0.95 -0.92 0.00 0.00 175.35 175.96 3ig4 s THR 89 N -1.56 3.27 0.35 2.17 -4.23 -1.26 -5.01 115.64 109.36 3ig4 s THR 89 Ca 0.57 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3ig4 s THR 89 Cb -0.25 -3.24 -0.13 0.00 1.34 0.00 0.00 72.50 70.22 3ig4 s THR 89 CO 0.31 -0.18 0.78 0.55 -0.54 0.00 0.00 174.62 175.54 3ig4 n VAL 90 N -2.29 1.99 -3.48 2.29 3.14 -1.26 -4.96 118.33 113.76 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 0.59 -0.73 -0.01 0.00 -1.06 0.00 0.00 33.84 32.63 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 -0.79 6.12 0.26 6.55 1.04 -1.26 -4.84 113.70 120.78 3ig4 s SER 91 Ca 0.62 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 3ig4 s SER 91 Cb -0.67 -1.67 0.52 0.00 0.10 0.00 0.00 66.02 64.30 3ig4 s SER 91 CO 0.58 -0.36 1.67 -1.13 0.98 0.00 0.00 173.24 174.98 3ig4 h ASN 92 N 0.82 -0.06 0.41 7.02 -0.73 -1.93 -0.82 115.58 120.30 3ig4 h ASN 92 Ca -0.49 0.17 -0.24 0.00 1.87 0.00 0.00 56.30 57.61 3ig4 h ASN 92 Cb 1.24 0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.08 3ig4 h ASN 92 CO 0.58 -0.09 -1.03 -0.33 -0.37 0.00 0.00 177.43 176.18 3ig4 h GLU 93 N 0.22 0.38 -0.49 6.67 5.08 -1.98 -3.07 114.58 121.39 3ig4 h GLU 93 Ca 0.45 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3ig4 h GLU 93 Cb 0.81 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3ig4 h GLU 93 CO -0.58 1.14 0.16 0.93 -1.00 0.00 0.00 179.01 179.66 3ig4 h GLU 94 N 0.19 0.76 -0.42 2.33 5.08 -1.78 -1.50 114.58 119.24 3ig4 h GLU 94 Ca -0.10 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3ig4 h GLU 94 Cb 1.69 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 3ig4 h GLU 94 CO 0.18 0.72 0.19 0.00 -1.00 0.00 0.00 179.01 179.10 3ig4 h ALA 95 N 1.01 0.52 -0.34 3.43 0.00 -1.21 0.27 119.26 122.94 3ig4 h ALA 95 Ca 0.16 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ig4 h ALA 95 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ig4 h ALA 95 CO -0.01 -0.18 0.16 1.49 0.00 0.00 0.00 179.25 180.72 3ig4 h GLU 96 N 0.39 0.33 -0.69 0.00 4.81 -1.41 -0.83 114.58 117.17 3ig4 h GLU 96 Ca 0.19 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3ig4 h GLU 96 Cb 0.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3ig4 h GLU 96 CO -0.15 0.22 0.41 -0.22 -0.73 0.00 0.00 179.01 178.54 3ig4 h LYS 97 N 0.34 0.95 -0.02 1.92 3.11 -0.54 -1.15 116.57 121.17 3ig4 h LYS 97 Ca 0.14 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 3ig4 h LYS 97 Cb 0.06 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.09 3ig4 h LYS 97 CO -0.10 0.68 -0.11 0.82 -2.81 0.00 0.00 179.45 177.92 3ig4 h ILE 98 N 0.95 1.50 0.00 2.00 2.04 -0.73 -3.37 117.51 119.89 3ig4 h ILE 98 Ca 0.25 -1.63 -0.18 0.00 1.00 0.00 0.00 64.86 64.30 3ig4 h ILE 98 Cb -0.02 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3ig4 h ILE 98 CO -0.05 0.44 -1.07 0.77 0.00 0.00 0.00 178.15 178.24 3ig4 h SER 99 N -0.49 0.00 0.00 1.72 4.64 -1.16 -3.31 113.55 114.95 3ig4 h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ig4 h SER 99 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3ig4 h SER 99 CO 0.02 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 3ig4 n GLY 100 N 1.36 0.72 3.68 -0.77 0.00 -0.44 -4.32 105.19 105.42 3ig4 n GLY 100 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3ig4 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 101 N -2.87 5.00 -0.03 -0.61 1.01 -1.25 -4.99 121.20 117.46 3ig4 s ILE 101 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 3ig4 s ILE 101 Cb 0.00 -4.02 -0.21 0.00 0.01 0.00 0.00 42.46 38.23 3ig4 s ILE 101 CO 0.00 0.14 1.12 0.50 0.00 0.00 0.00 174.94 176.70 3ig4 h LYS 102 N 7.17 0.19 -5.67 2.79 3.64 -1.89 -3.40 116.57 119.39 3ig4 h LYS 102 Ca -0.34 -0.16 -0.63 0.00 -1.27 0.00 0.00 60.65 58.24 3ig4 h LYS 102 Cb 1.16 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 3ig4 h LYS 102 CO 0.78 0.83 0.34 0.21 -2.27 0.00 0.00 179.45 179.35 3ig4 s LYS 103 N -3.49 3.34 -0.18 1.90 2.20 -1.26 -4.97 119.74 117.28 3ig4 s LYS 103 Ca -0.16 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 3ig4 s LYS 103 Cb 0.02 -3.98 0.02 0.00 -1.51 0.00 0.00 37.83 32.38 3ig4 s LYS 103 CO 0.74 -1.20 -0.17 0.08 -0.36 0.00 0.00 175.35 174.43 3ig4 s VAL 104 N 3.31 1.93 0.01 4.02 1.01 -1.26 -1.42 120.40 128.00 3ig4 s VAL 104 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3ig4 s VAL 104 Cb -0.13 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3ig4 s VAL 104 CO 0.20 0.46 0.00 2.30 0.00 0.00 0.00 175.10 178.07 3ig4 n ILE 105 N 4.65 0.00 -4.10 2.22 -5.35 0.14 -4.97 119.36 111.95 3ig4 n ILE 105 Ca -0.19 -0.07 -0.29 0.00 -0.27 0.00 0.00 62.75 61.92 3ig4 n ILE 105 Cb 0.49 0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.33 3.06 0.42 4.28 2.02 -1.26 0.02 117.35 124.55 3ig4 s TYR 106 Ca 0.00 -0.00 0.10 0.00 -0.37 0.00 0.00 57.07 56.80 3ig4 s TYR 106 Cb 0.00 -1.55 0.94 0.00 -0.40 0.00 0.00 41.96 40.96 3ig4 s TYR 106 CO 0.00 0.50 2.03 -0.07 -1.57 0.00 0.00 175.55 176.44 3ig4 h LEU 107 N 3.21 0.41 0.00 -1.29 3.38 -1.32 -1.49 115.31 118.22 3ig4 h LEU 107 Ca -0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ig4 h LEU 107 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ig4 h LEU 107 CO 0.62 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.53 3ig4 n ASP 108 N -4.48 0.00 -0.31 -0.43 5.68 -1.26 -0.37 116.55 115.38 3ig4 n ASP 108 Ca 0.06 -0.25 0.03 0.00 -0.50 0.00 0.00 54.79 54.12 3ig4 n ASP 108 Cb 0.19 -0.04 0.06 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.04 2.20 -0.14 -1.12 3.41 -0.56 -4.71 113.62 111.66 3ig4 n SER 109 Ca 0.07 -1.78 -0.10 0.00 -0.26 0.00 0.00 58.87 56.80 3ig4 n SER 109 Cb 0.04 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3ig4 n SER 109 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ig4 h PHE 110 N 1.10 0.74 -0.46 7.33 3.57 -0.80 -2.27 116.94 126.14 3ig4 h PHE 110 Ca 0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3ig4 h PHE 110 Cb 0.51 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3ig4 h PHE 110 CO 0.09 0.73 0.21 0.93 -2.23 0.00 0.00 178.31 178.04 3ig4 h GLU 111 N 0.53 0.67 -0.72 1.11 5.08 -1.84 -2.48 114.58 116.92 3ig4 h GLU 111 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3ig4 h GLU 111 Cb 0.41 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3ig4 h GLU 111 CO 0.01 0.58 0.23 -0.22 -1.00 0.00 0.00 179.01 178.62 3ig4 h LYS 112 N 0.60 1.11 -1.94 2.33 3.64 -1.88 -2.16 116.57 118.26 3ig4 h LYS 112 Ca 0.16 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3ig4 h LYS 112 Cb 0.14 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ig4 h LYS 112 CO -0.02 0.94 0.00 2.41 -2.27 0.00 0.00 179.45 180.51 3ig4 n THR 113 N -4.26 0.00 0.00 1.00 -1.04 -0.86 -2.07 114.28 107.05 3ig4 n THR 113 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3ig4 n THR 113 Cb 0.22 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 0.98 0.00 -0.02 8.00 7.64 -0.82 -1.50 113.62 127.90 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 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.14 -0.48 6.43 -0.26 -1.71 -0.46 115.58 119.24 3ig4 h ASN 116 Ca 0.00 -0.15 0.09 0.00 -0.56 0.00 0.00 56.30 55.68 3ig4 h ASN 116 Cb 0.00 -0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.14 3ig4 h ASN 116 CO 0.00 0.25 -0.05 0.40 -1.06 0.00 0.00 177.43 176.97 3ig4 h ILE 117 N 0.02 0.58 0.00 2.81 5.03 -1.55 -0.44 117.51 123.96 3ig4 h ILE 117 Ca 0.04 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 3ig4 h ILE 117 Cb 0.15 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 3ig4 h ILE 117 CO -0.00 0.01 -0.89 -0.26 -0.68 0.00 0.00 178.15 176.33 3ig4 h PHE 118 N 0.06 0.00 0.00 1.37 0.04 -1.80 -3.12 116.94 113.49 3ig4 h PHE 118 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3ig4 h PHE 118 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3ig4 h PHE 118 CO -0.35 0.00 -0.07 0.34 -0.60 0.00 0.00 178.31 177.63 3ig4 n PHE 119 N -2.54 0.00 -0.12 -0.55 7.35 -0.19 -4.27 117.46 117.13 3ig4 n PHE 119 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3ig4 n PHE 119 Cb 0.52 -0.03 0.27 0.00 0.35 0.00 0.00 39.48 40.59 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 -0.07 1.18 -0.16 -2.13 2.02 -1.26 -2.69 112.91 109.80 3ig4 h THR 120 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3ig4 h THR 120 Cb 0.07 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3ig4 h THR 120 CO 0.00 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 175.48 3ig4 n GLU 121 N -4.38 2.29 -3.95 6.66 1.02 -0.34 -4.98 120.64 116.97 3ig4 n GLU 121 Ca 0.05 -1.91 -0.29 0.00 -0.02 0.00 0.00 57.16 54.99 3ig4 n GLU 121 Cb 0.11 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.23 -2.93 -4.74 1.62 5.03 -1.02 -4.91 115.26 109.54 3ig4 n ASN 122 Ca 0.16 -0.88 -0.41 0.00 0.87 0.00 0.00 54.58 54.32 3ig4 n ASN 122 Cb 0.56 -3.50 -0.04 0.00 -1.02 0.00 0.00 39.78 35.79 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 -3.50 3.73 -0.05 2.41 1.01 -1.18 -4.94 120.40 117.89 3ig4 s VAL 123 Ca 0.43 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3ig4 s VAL 123 Cb -0.22 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 3ig4 s VAL 123 CO 0.86 0.23 0.04 0.29 0.00 0.00 0.00 175.10 176.52 3ig4 n LYS 124 N 2.60 6.01 -3.82 2.72 5.02 -1.26 -4.85 118.16 124.58 3ig4 n LYS 124 Ca 0.04 -0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 3ig4 n LYS 124 Cb 0.45 -0.60 -0.16 0.00 -0.02 0.00 0.00 35.03 34.71 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 -1.19 1.57 -0.07 2.13 2.46 -1.26 0.14 115.29 119.06 3ig4 s HIS 125 Ca 0.00 -1.21 0.01 0.00 0.47 0.00 0.00 55.06 54.34 3ig4 s HIS 125 Cb 0.01 -1.25 -0.03 0.00 -0.13 0.00 0.00 32.58 31.18 3ig4 s HIS 125 CO 0.04 -0.67 -0.09 -1.17 -2.47 0.00 0.00 174.74 170.38 3ig4 s LEU 126 N 1.67 3.05 -0.12 8.88 2.96 0.60 -1.46 118.68 134.27 3ig4 s LEU 126 Ca -0.03 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3ig4 s LEU 126 Cb -0.18 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3ig4 s LEU 126 CO -0.07 0.34 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.88 3ig4 s TYR 127 N -0.66 2.84 0.25 5.38 2.02 0.79 -0.06 117.35 127.91 3ig4 s TYR 127 Ca 0.10 -0.45 0.09 0.00 -0.37 0.00 0.00 57.07 56.44 3ig4 s TYR 127 Cb -0.11 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3ig4 s TYR 127 CO 0.02 -0.07 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.27 3ig4 s LEU 128 N 0.09 2.56 -0.88 -1.29 1.43 -0.66 -1.31 118.68 118.62 3ig4 s LEU 128 Ca -0.04 -1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 51.79 3ig4 s LEU 128 Cb -0.14 -0.81 0.11 0.00 0.03 0.00 0.00 46.19 45.38 3ig4 s LEU 128 CO 0.04 -0.15 1.11 -0.62 0.23 0.00 0.00 176.35 176.96 3ig4 s ASP 129 N -3.42 6.53 -1.12 2.29 -1.08 -1.26 -0.19 116.67 118.42 3ig4 s ASP 129 Ca 0.27 -1.80 -0.05 0.00 -0.52 0.00 0.00 52.55 50.45 3ig4 s ASP 129 Cb -0.01 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.32 3ig4 s ASP 129 CO 0.11 -1.17 1.59 0.18 0.52 0.00 0.00 175.17 176.40 3ig4 n LEU 130 N 6.94 6.56 -4.62 -1.34 4.77 -1.26 -4.90 117.00 123.14 3ig4 n LEU 130 Ca 0.19 -5.12 -0.43 0.00 -0.03 0.00 0.00 56.01 50.62 3ig4 n LEU 130 Cb 0.48 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 3ig4 n LEU 130 CO 0.54 1.67 1.03 -0.70 -1.33 0.00 0.00 177.39 178.60 3ig4 s GLU 131 N -2.30 3.89 -0.30 3.23 2.12 -1.26 -4.91 118.70 119.17 3ig4 s GLU 131 Ca 0.33 0.93 -0.02 0.00 0.36 0.00 0.00 54.97 56.57 3ig4 s GLU 131 Cb 0.07 -3.84 0.10 0.00 0.26 0.00 0.00 34.13 30.72 3ig4 s GLU 131 CO 0.08 -1.14 0.11 0.00 -0.54 0.00 0.00 175.26 173.76 3ig4 h ARG 133 N 8.20 0.00 -4.90 0.00 3.08 -2.03 -3.45 114.38 115.29 3ig4 h ARG 133 Ca -0.16 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.33 3ig4 h ARG 133 Cb 1.02 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.74 3ig4 h ARG 133 CO 0.45 0.00 -0.84 -1.21 -1.07 0.00 0.00 179.97 177.31 3ig4 s GLU 134 N -3.26 2.07 0.26 0.04 0.41 -1.26 -5.02 118.70 111.94 3ig4 s GLU 134 Ca 0.03 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.97 3ig4 s GLU 134 Cb 0.12 -1.67 0.32 0.00 -1.78 0.00 0.00 34.13 31.12 3ig4 s GLU 134 CO 0.76 0.11 1.92 2.35 -0.49 0.00 0.00 175.26 179.91 3ig4 h TRP 135 N 6.76 1.23 -0.75 1.61 2.91 -2.05 -2.10 115.95 123.57 3ig4 h TRP 135 Ca -0.28 0.03 -0.37 0.00 1.13 0.00 0.00 58.89 59.40 3ig4 h TRP 135 Cb 1.20 -0.41 -0.22 0.00 -0.51 0.00 0.00 29.16 29.22 3ig4 h TRP 135 CO 0.47 0.73 0.36 1.63 -1.03 0.00 0.00 178.44 180.61 3ig4 n LYS 136 N -4.42 2.28 -0.56 2.65 5.02 -1.26 -5.00 118.16 116.86 3ig4 n LYS 136 Ca 0.13 -3.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.05 3ig4 n LYS 136 Cb 0.07 -2.06 0.22 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.03 -1.86 3.94 0.72 0.00 -0.79 -5.02 105.19 101.15 3ig4 n GLY 137 Ca 0.48 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.41 5.32 0.29 2.61 -1.32 -1.26 -5.05 115.64 113.83 3ig4 s THR 138 Ca 0.65 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 3ig4 s THR 138 Cb -0.22 -3.70 -0.12 0.00 -1.51 0.00 0.00 72.50 66.94 3ig4 s THR 138 CO 0.64 -0.03 1.52 1.21 -2.21 0.00 0.00 174.62 175.75 3ig4 n GLU 139 N -0.33 2.50 -4.25 7.08 2.13 -1.26 -5.01 120.64 121.50 3ig4 n GLU 139 Ca -0.07 0.89 -0.24 0.00 0.66 0.00 0.00 57.16 58.40 3ig4 n GLU 139 Cb 0.53 -2.62 -0.08 0.00 0.27 0.00 0.00 31.44 29.54 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 -0.21 2.85 0.29 6.31 -4.23 -1.26 -4.96 115.64 114.42 3ig4 s THR 140 Ca 0.63 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 3ig4 s THR 140 Cb -0.53 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 70.73 3ig4 s THR 140 CO 0.51 -0.22 1.75 0.50 -0.54 0.00 0.00 174.62 176.63 3ig4 h LYS 141 N 1.73 0.62 0.10 3.99 1.63 -1.98 0.13 116.57 122.80 3ig4 h LYS 141 Ca -0.43 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 3ig4 h LYS 141 Cb 1.25 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3ig4 h LYS 141 CO 0.65 0.41 -0.05 1.15 -3.45 0.00 0.00 179.45 178.16 3ig4 h THR 142 N 0.64 1.11 -0.88 1.00 2.02 -1.96 -0.76 112.91 114.09 3ig4 h THR 142 Ca 0.54 -0.97 0.09 0.00 0.77 0.00 0.00 66.41 66.84 3ig4 h THR 142 Cb 0.86 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.91 3ig4 h THR 142 CO -0.41 0.23 0.53 -0.07 0.37 0.00 0.00 175.52 176.17 3ig4 h LEU 143 N -0.60 0.78 -0.64 2.58 3.38 -1.82 0.16 115.31 119.15 3ig4 h LEU 143 Ca -0.01 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ig4 h LEU 143 Cb 0.48 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3ig4 h LEU 143 CO 0.02 0.46 0.34 0.00 0.09 0.00 0.00 178.44 179.36 3ig4 h ALA 144 N 1.46 0.85 -0.03 1.53 0.00 -0.67 0.80 119.26 123.20 3ig4 h ALA 144 Ca 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ig4 h ALA 144 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ig4 h ALA 144 CO -0.23 0.01 0.01 0.35 0.00 0.00 0.00 179.25 179.40 3ig4 h PHE 145 N 0.64 0.04 -0.54 0.00 3.04 0.57 -0.46 116.94 120.22 3ig4 h PHE 145 Ca 0.29 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.31 3ig4 h PHE 145 Cb 0.20 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.64 3ig4 h PHE 145 CO -0.09 0.10 0.22 0.00 -2.02 0.00 0.00 178.31 176.53 3ig4 h ALA 146 N 0.93 0.68 -0.63 2.41 0.00 -0.42 0.04 119.26 122.27 3ig4 h ALA 146 Ca 0.01 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ig4 h ALA 146 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3ig4 h ALA 146 CO -0.00 -0.16 0.27 -0.22 0.00 0.00 0.00 179.25 179.14 3ig4 h LYS 147 N 0.43 0.46 -0.66 0.00 3.64 -0.37 -0.14 116.57 119.92 3ig4 h LYS 147 Ca 0.25 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3ig4 h LYS 147 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3ig4 h LYS 147 CO -0.23 0.30 0.21 1.25 -2.27 0.00 0.00 179.45 178.71 3ig4 h HIS 148 N 0.47 1.07 -0.60 1.91 2.76 0.10 -1.26 115.15 119.60 3ig4 h HIS 148 Ca 0.32 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 3ig4 h HIS 148 Cb 0.37 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3ig4 h HIS 148 CO -0.15 0.86 0.17 0.28 -1.30 0.00 0.00 177.93 177.80 3ig4 h VAL 149 N 0.97 1.23 -0.80 5.26 2.07 -0.34 -1.08 116.25 123.55 3ig4 h VAL 149 Ca 0.21 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3ig4 h VAL 149 Cb 0.30 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3ig4 h VAL 149 CO -0.01 0.31 0.38 -0.09 0.02 0.00 0.00 177.57 178.18 3ig4 h ARG 150 N 0.88 1.16 -0.10 1.57 2.43 -0.44 0.24 114.38 120.12 3ig4 h ARG 150 Ca 0.19 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 3ig4 h ARG 150 Cb 0.28 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3ig4 h ARG 150 CO -0.01 0.90 -0.59 1.49 -1.51 0.00 0.00 179.97 180.26 3ig4 h GLU 151 N 1.13 0.58 0.03 0.20 4.57 -0.82 -2.91 114.58 117.37 3ig4 h GLU 151 Ca 0.27 -0.49 -0.26 0.00 -1.18 0.00 0.00 59.36 57.71 3ig4 h GLU 151 Cb 0.13 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3ig4 h GLU 151 CO -0.03 1.11 -1.31 1.96 -1.18 0.00 0.00 179.01 179.55 3ig4 h GLN 152 N 0.21 0.07 -2.12 1.92 1.08 -1.17 -3.40 115.11 111.70 3ig4 h GLN 152 Ca -0.04 -0.11 -0.56 0.00 -1.45 0.00 0.00 58.65 56.48 3ig4 h GLN 152 Cb 1.24 0.04 -0.41 0.00 -0.05 0.00 0.00 27.48 28.30 3ig4 h GLN 152 CO 0.12 0.90 -0.88 0.66 -0.95 0.00 0.00 178.83 178.68 3ig4 n TYR 153 N -3.30 1.91 0.25 2.96 4.01 0.84 -4.96 117.16 118.87 3ig4 n TYR 153 Ca -0.08 -3.89 0.18 0.00 -0.16 0.00 0.00 57.90 53.95 3ig4 n TYR 153 Cb 1.00 -0.46 0.87 0.00 -0.31 0.00 0.00 39.34 40.44 3ig4 n TYR 153 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ig4 h PRO 154 N 3.55 0.00 -0.00 -0.72 0.13 -1.64 -0.18 132.00 133.14 3ig4 h PRO 154 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ig4 h PRO 154 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3ig4 h PRO 154 CO 0.66 0.00 -0.23 -2.39 -0.23 0.00 0.00 178.00 175.81 3ig4 n HIS 155 N -3.37 0.00 -2.66 1.56 1.44 -1.26 -4.85 115.22 106.08 3ig4 n HIS 155 Ca 0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.30 3ig4 n HIS 155 Cb 0.36 -0.25 -0.03 0.00 0.12 0.00 0.00 29.99 30.19 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 -2.73 4.73 -0.13 0.61 1.01 -0.08 -4.95 120.40 118.86 3ig4 s VAL 156 Ca 0.20 1.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 3ig4 s VAL 156 Cb 0.19 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3ig4 s VAL 156 CO 0.56 0.14 0.70 -0.89 0.00 0.00 0.00 175.10 175.61 3ig4 s THR 157 N 1.09 5.01 -0.21 3.92 2.01 0.36 -4.92 115.64 122.90 3ig4 s THR 157 Ca 0.53 1.39 -0.09 0.00 0.31 0.00 0.00 61.69 63.82 3ig4 s THR 157 Cb -0.22 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 3ig4 s THR 157 CO 0.28 0.17 0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 3ig4 s ILE 158 N 1.37 5.21 0.30 1.82 1.01 -1.26 -0.29 121.20 129.37 3ig4 s ILE 158 Ca 0.35 0.12 0.11 0.00 0.00 0.00 0.00 60.65 61.23 3ig4 s ILE 158 Cb -0.17 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3ig4 s ILE 158 CO 0.14 0.42 -0.12 -0.83 0.00 0.00 0.00 174.94 174.55 3ig4 s GLY 159 N 0.59 1.97 -0.27 6.18 0.00 0.92 -4.97 107.32 111.74 3ig4 s GLY 159 Ca 0.07 -1.93 -0.09 0.00 0.00 0.00 0.00 44.72 42.77 3ig4 s GLY 159 CO 0.00 -1.95 0.13 0.21 0.00 0.00 0.00 173.10 171.49 3ig4 s ASN 160 N -3.58 5.57 0.00 1.64 2.47 -1.26 -1.66 114.94 118.12 3ig4 s ASN 160 Ca 0.31 -0.12 0.24 0.00 0.42 0.00 0.00 52.86 53.71 3ig4 s ASN 160 Cb -0.02 -2.02 0.33 0.00 -1.45 0.00 0.00 41.25 38.09 3ig4 s ASN 160 CO 0.16 -0.05 1.30 0.55 -3.72 0.00 0.00 177.10 175.34 3ig4 n VAL 161 N 4.99 0.00 -0.16 -5.21 3.14 0.73 -4.38 118.33 117.45 3ig4 n VAL 161 Ca -0.15 -0.13 -0.04 0.00 -2.96 0.00 0.00 64.34 61.06 3ig4 n VAL 161 Cb 0.52 0.73 0.03 0.00 -1.06 0.00 0.00 33.84 34.05 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 1.21 -0.47 -0.67 1.45 3.20 -1.91 -1.87 116.97 117.92 3ig4 h TYR 162 Ca 0.00 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3ig4 h TYR 162 Cb 0.58 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 3ig4 h TYR 162 CO 0.00 -0.28 0.20 -1.35 -1.64 0.00 0.00 178.16 175.09 3ig4 h PRO 163 N -0.08 1.05 -0.21 1.82 0.11 -1.96 -1.41 132.00 131.31 3ig4 h PRO 163 Ca 0.23 -0.23 0.05 0.00 0.11 0.00 0.00 66.00 66.16 3ig4 h PRO 163 Cb 0.44 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.33 3ig4 h PRO 163 CO -0.55 0.92 -0.42 -0.91 -0.21 0.00 0.00 178.00 176.83 3ig4 h ASN 164 N 0.98 -1.33 0.00 -2.05 -0.26 -1.62 -1.77 115.58 109.53 3ig4 h ASN 164 Ca 0.21 0.19 -0.10 0.00 -0.56 0.00 0.00 56.30 56.04 3ig4 h ASN 164 Cb 0.31 0.56 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 3ig4 h ASN 164 CO -0.00 -0.41 -0.29 0.40 -1.06 0.00 0.00 177.43 176.06 3ig4 h ILE 165 N -0.44 1.27 -0.68 2.81 2.04 -1.00 -2.78 117.51 118.72 3ig4 h ILE 165 Ca 0.09 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 3ig4 h ILE 165 Cb 0.61 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3ig4 h ILE 165 CO -0.45 0.42 0.31 0.00 0.00 0.00 0.00 178.15 178.43 3ig4 h GLU 167 N 0.96 0.00 -0.16 0.00 4.57 -1.06 -1.55 114.58 117.34 3ig4 h GLU 167 Ca 0.23 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.20 3ig4 h GLU 167 Cb 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3ig4 h GLU 167 CO -0.03 0.21 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.20 3ig4 h LEU 168 N 0.00 0.90 -0.83 1.64 4.07 -1.30 -3.11 115.31 116.67 3ig4 h LEU 168 Ca -0.00 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3ig4 h LEU 168 Cb 0.41 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3ig4 h LEU 168 CO 0.03 1.36 0.00 0.03 -1.08 0.00 0.00 178.44 178.78 3ig4 h ARG 169 N 0.53 0.00 0.00 1.13 3.08 -0.54 -2.61 114.38 115.97 3ig4 h ARG 169 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3ig4 h ARG 169 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3ig4 h ARG 169 CO 0.15 0.00 -0.21 0.28 -1.07 0.00 0.00 179.97 179.12 3ig4 h VAL 170 N 0.00 1.00 -3.60 2.04 2.07 -1.32 -3.39 116.25 113.05 3ig4 h VAL 170 Ca 0.00 -0.76 -0.70 0.00 0.82 0.00 0.00 66.70 66.06 3ig4 h VAL 170 Cb 0.37 1.43 -0.28 0.00 -1.52 0.00 0.00 31.29 31.28 3ig4 h VAL 170 CO 0.00 0.21 -0.56 -0.36 0.02 0.00 0.00 177.57 176.88 3ig4 s PHE 171 N -4.40 3.29 0.29 1.57 0.08 -0.99 -4.43 117.98 113.39 3ig4 s PHE 171 Ca -0.03 -1.45 -0.18 0.00 0.12 0.00 0.00 56.93 55.38 3ig4 s PHE 171 Cb 0.15 -2.51 -0.09 0.00 -0.57 0.00 0.00 43.02 40.00 3ig4 s PHE 171 CO 0.67 -0.76 0.76 0.15 -0.10 0.00 0.00 175.22 175.94 3ig4 s LYS 172 N 1.41 4.18 0.75 0.44 -0.14 0.73 -5.01 119.74 122.10 3ig4 s LYS 172 Ca 0.00 0.85 -0.04 0.00 -1.36 0.00 0.00 55.97 55.42 3ig4 s LYS 172 Cb -0.20 -2.64 0.13 0.00 -1.68 0.00 0.00 37.83 33.44 3ig4 s LYS 172 CO 0.03 0.26 1.04 0.95 -0.76 0.00 0.00 175.35 176.86 3ig4 s THR 173 N -1.77 2.16 0.13 2.17 -4.23 -1.26 -4.76 115.64 108.08 3ig4 s THR 173 Ca 0.50 -0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 60.37 3ig4 s THR 173 Cb -0.14 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 3ig4 s THR 173 CO 0.19 0.00 1.67 0.44 -0.54 0.00 0.00 174.62 176.38 3ig4 h ASP 174 N -0.68 0.56 0.12 3.99 3.32 -1.99 -2.03 116.42 119.71 3ig4 h ASP 174 Ca -0.39 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 3ig4 h ASP 174 Cb 1.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3ig4 h ASP 174 CO 0.42 0.59 -0.14 1.05 -1.72 0.00 0.00 179.24 179.44 3ig4 h GLU 175 N 0.50 0.05 -0.22 3.56 9.09 -2.00 -1.22 114.58 124.34 3ig4 h GLU 175 Ca 0.13 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.50 3ig4 h GLU 175 Cb 0.21 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 3ig4 h GLU 175 CO -0.01 0.19 -0.00 0.93 0.05 0.00 0.00 179.01 180.16 3ig4 h GLU 176 N 0.04 0.40 0.00 1.06 5.08 -1.84 -3.02 114.58 116.30 3ig4 h GLU 176 Ca 0.01 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3ig4 h GLU 176 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ig4 h GLU 176 CO 0.02 0.59 -0.21 0.82 -1.00 0.00 0.00 179.01 179.22 3ig4 h ILE 177 N 0.16 0.98 -0.35 3.13 2.04 -0.65 -2.09 117.51 120.74 3ig4 h ILE 177 Ca 0.06 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 65.04 3ig4 h ILE 177 Cb 0.41 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3ig4 h ILE 177 CO 0.01 0.21 -0.27 -0.33 0.00 0.00 0.00 178.15 177.77 3ig4 h GLU 178 N 0.00 0.73 -0.22 2.37 4.39 -1.13 -1.12 114.58 119.59 3ig4 h GLU 178 Ca -0.00 -0.31 -0.16 0.00 0.34 0.00 0.00 59.36 59.22 3ig4 h GLU 178 Cb 0.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3ig4 h GLU 178 CO 0.03 0.92 -0.50 0.82 -1.16 0.00 0.00 179.01 179.12 3ig4 h ILE 179 N 0.63 1.31 -0.60 3.13 2.04 -1.28 -1.98 117.51 120.75 3ig4 h ILE 179 Ca 0.08 -1.71 0.07 0.00 1.00 0.00 0.00 64.86 64.30 3ig4 h ILE 179 Cb 0.78 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 3ig4 h ILE 179 CO 0.06 0.54 0.28 0.40 0.00 0.00 0.00 178.15 179.43 3ig4 h ILE 180 N 0.44 0.87 -0.67 -0.67 2.04 -1.37 -1.15 117.51 116.98 3ig4 h ILE 180 Ca -0.00 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.78 3ig4 h ILE 180 Cb 1.11 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3ig4 h ILE 180 CO 0.11 0.09 0.31 0.11 0.00 0.00 0.00 178.15 178.77 3ig4 h LYS 181 N 0.50 0.52 -0.38 2.37 1.57 -0.95 -0.55 116.57 119.65 3ig4 h LYS 181 Ca 0.29 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3ig4 h LYS 181 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3ig4 h LYS 181 CO -0.24 0.34 0.11 0.93 -0.57 0.00 0.00 179.45 180.02 3ig4 h GLU 182 N 0.53 0.59 -0.58 3.15 5.08 -0.60 -0.57 114.58 122.19 3ig4 h GLU 182 Ca 0.33 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3ig4 h GLU 182 Cb 0.37 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3ig4 h GLU 182 CO -0.28 0.61 0.25 0.00 -1.00 0.00 0.00 179.01 178.59 3ig4 h ALA 183 N 0.95 0.75 -0.63 3.43 0.00 -0.55 -1.26 119.26 121.95 3ig4 h ALA 183 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3ig4 h ALA 183 Cb 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ig4 h ALA 183 CO -0.00 -0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.22 3ig4 h ILE 184 N 0.47 1.23 -0.50 0.00 2.04 -0.88 -2.13 117.51 117.74 3ig4 h ILE 184 Ca 0.28 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3ig4 h ILE 184 Cb 0.27 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3ig4 h ILE 184 CO -0.24 0.27 0.14 0.00 0.00 0.00 0.00 178.15 178.32 3ig4 h ALA 185 N 1.12 0.59 -0.19 1.87 0.00 0.03 0.15 119.26 122.83 3ig4 h ALA 185 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ig4 h ALA 185 Cb 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ig4 h ALA 185 CO -0.02 -0.27 -0.13 0.28 0.00 0.00 0.00 179.25 179.11 3ig4 h VAL 186 N 0.29 1.32 -0.69 0.00 2.07 -1.30 -2.12 116.25 115.82 3ig4 h VAL 186 Ca 0.25 -1.23 0.13 0.00 0.82 0.00 0.00 66.70 66.67 3ig4 h VAL 186 Cb 0.30 1.72 -0.13 0.00 -1.52 0.00 0.00 31.29 31.66 3ig4 h VAL 186 CO -0.29 0.37 -0.23 0.74 0.02 0.00 0.00 177.57 178.18 3ig4 h THR 187 N 0.10 0.24 -0.14 2.57 2.02 -0.91 0.43 112.91 117.22 3ig4 h THR 187 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 3ig4 h THR 187 Cb 0.64 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 3ig4 h THR 187 CO 0.03 0.00 -0.24 0.50 0.37 0.00 0.00 175.52 176.18 3ig4 h LYS 188 N -0.05 -0.29 -0.92 6.66 3.64 -0.41 0.27 116.57 125.47 3ig4 h LYS 188 Ca 0.31 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.84 3ig4 h LYS 188 Cb 0.54 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 3ig4 h LYS 188 CO -0.73 -0.20 0.55 -0.44 -2.27 0.00 0.00 179.45 176.36 3ig4 h ASP 189 N -0.30 0.76 0.33 4.20 3.32 -0.52 0.12 116.42 124.34 3ig4 h ASP 189 Ca 0.10 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3ig4 h ASP 189 Cb 0.46 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ig4 h ASP 189 CO -0.31 0.38 -0.25 1.23 -1.72 0.00 0.00 179.24 178.57 3ig4 h GLY 190 N 0.84 -0.61 0.57 2.75 0.00 0.18 -1.01 103.07 105.78 3ig4 h GLY 190 Ca 0.47 0.28 0.04 0.00 0.00 0.00 0.00 47.33 48.13 3ig4 h GLY 190 CO -0.29 -0.24 -0.08 -2.22 0.00 0.00 0.00 176.54 173.70 3ig4 h ILE 191 N -0.59 0.74 -0.85 2.60 2.04 0.66 -1.20 117.51 120.91 3ig4 h ILE 191 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 3ig4 h ILE 191 Cb 0.51 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 3ig4 h ILE 191 CO -0.00 0.00 0.45 1.88 0.00 0.00 0.00 178.15 180.48 3ig4 h TYR 192 N -0.07 0.80 -0.21 1.37 -1.99 -0.61 0.14 116.97 116.40 3ig4 h TYR 192 Ca 0.09 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 3ig4 h TYR 192 Cb 0.20 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3ig4 h TYR 192 CO -0.23 0.22 -0.02 -0.97 -0.00 0.00 0.00 178.16 177.16 3ig4 h ASN 193 N 0.66 0.29 -0.24 3.88 -0.00 -0.02 -0.72 115.58 119.42 3ig4 h ASN 193 Ca 0.46 -0.04 -0.08 0.00 -0.00 0.00 0.00 56.30 56.63 3ig4 h ASN 193 Cb 0.61 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.85 3ig4 h ASN 193 CO -0.34 0.36 -0.17 0.58 -0.00 0.00 0.00 177.43 177.87 3ig4 h VAL 194 N 0.31 1.31 -0.09 2.57 2.07 0.01 -2.96 116.25 119.46 3ig4 h VAL 194 Ca 0.07 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ig4 h VAL 194 Cb 0.25 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ig4 h VAL 194 CO 0.01 0.40 0.04 -0.07 0.02 0.00 0.00 177.57 177.97 3ig4 h LEU 195 N 0.26 0.10 0.00 2.57 3.38 0.05 -1.15 115.31 120.52 3ig4 h LEU 195 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ig4 h LEU 195 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ig4 h LEU 195 CO 0.05 0.09 -0.52 0.07 0.09 0.00 0.00 178.44 178.22 3ig4 h LYS 196 N 0.12 0.00 0.00 1.13 2.10 -1.09 -3.35 116.57 115.47 3ig4 h LYS 196 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3ig4 h LYS 196 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3ig4 h LYS 196 CO -0.00 0.00 -0.63 0.72 -2.00 0.00 0.00 179.45 177.54 3ig4 n HIS 197 N -2.17 0.00 -2.17 0.07 8.25 -0.86 -3.43 115.22 114.91 3ig4 n HIS 197 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 3ig4 n HIS 197 Cb 0.44 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.12 3.49 0.29 -1.41 0.00 -0.49 -5.01 121.76 116.50 3ig4 s ALA 198 Ca 0.03 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 3ig4 s ALA 198 Cb 0.08 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3ig4 s ALA 198 CO 0.46 -0.57 0.62 -1.59 0.00 0.00 0.00 175.76 174.68 3ig4 s LYS 199 N -1.67 1.79 0.66 0.00 -2.85 -1.26 -4.87 119.74 111.54 3ig4 s LYS 199 Ca 0.49 -1.24 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 3ig4 s LYS 199 Cb -0.39 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 3ig4 s LYS 199 CO 0.51 -0.79 1.05 0.00 0.10 0.00 0.00 175.35 176.21 3ig4 s ALA 200 N -3.60 2.90 -0.60 0.59 0.00 -1.26 -4.90 121.76 114.88 3ig4 s ALA 200 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 3ig4 s ALA 200 Cb -0.03 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3ig4 s ALA 200 CO 0.10 -0.96 0.65 -0.25 0.00 0.00 0.00 175.76 175.30 3ig4 n ASP 201 N -2.94 -7.71 -0.07 0.00 8.00 0.95 -4.96 116.55 109.81 3ig4 n ASP 201 Ca 0.07 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 3ig4 n ASP 201 Cb 0.54 -5.13 -0.05 0.00 -0.02 0.00 0.00 41.12 36.45 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 -1.13 0.31 0.26 -1.24 1.02 -0.38 -4.94 120.64 114.55 3ig4 n GLU 204 Ca 0.04 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 3ig4 n GLU 204 Cb 0.49 -1.02 0.71 0.00 -0.02 0.00 0.00 31.44 31.61 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 -0.53 0.00 -0.71 -0.32 -0.00 -1.72 0.34 116.97 114.04 3ig4 h TYR 205 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.35 3ig4 h TYR 205 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.01 3ig4 h TYR 205 CO -0.05 0.11 0.41 0.93 -0.00 0.00 0.00 178.16 179.56 3ig4 h GLU 206 N 0.00 0.97 -0.12 0.10 5.08 -1.96 0.20 114.58 118.84 3ig4 h GLU 206 Ca -0.00 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.05 3ig4 h GLU 206 Cb 0.27 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3ig4 h GLU 206 CO 0.01 0.69 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.83 3ig4 h LEU 207 N 0.98 0.87 -0.93 1.33 3.38 -1.38 -3.00 115.31 116.56 3ig4 h LEU 207 Ca 0.25 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3ig4 h LEU 207 Cb -0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3ig4 h LEU 207 CO -0.05 1.38 0.59 -0.08 0.09 0.00 0.00 178.44 180.37 3ig4 h GLU 208 N 0.48 1.05 -0.93 1.13 4.81 -0.66 -1.54 114.58 118.92 3ig4 h GLU 208 Ca -0.06 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.26 3ig4 h GLU 208 Cb 1.44 -0.24 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 3ig4 h GLU 208 CO 0.16 0.69 0.53 0.00 -0.73 0.00 0.00 179.01 179.67 3ig4 h ALA 209 N 1.42 1.45 -0.54 2.92 0.00 -0.50 -0.41 119.26 123.60 3ig4 h ALA 209 Ca 0.40 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 3ig4 h ALA 209 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ig4 h ALA 209 CO -0.17 -0.00 -0.01 1.96 0.00 0.00 0.00 179.25 181.04 3ig4 h GLN 210 N 0.75 0.96 0.21 0.00 1.08 -1.24 -0.03 115.11 116.83 3ig4 h GLN 210 Ca 0.50 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3ig4 h GLN 210 Cb 0.68 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3ig4 h GLN 210 CO -0.34 0.97 -0.10 0.35 -0.95 0.00 0.00 178.83 178.76 3ig4 h PHE 211 N 0.83 -0.26 -0.62 2.96 3.57 -1.02 -2.55 116.94 119.86 3ig4 h PHE 211 Ca 0.15 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.76 3ig4 h PHE 211 Cb 0.54 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3ig4 h PHE 211 CO 0.04 -0.01 0.17 -0.44 -2.23 0.00 0.00 178.31 175.84 3ig4 h ASP 212 N -0.48 0.09 -0.15 0.41 3.32 -1.02 -2.02 116.42 116.58 3ig4 h ASP 212 Ca -0.03 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3ig4 h ASP 212 Cb 0.36 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 3ig4 h ASP 212 CO 0.05 0.05 -0.18 0.15 -1.72 0.00 0.00 179.24 177.59 3ig4 h PHE 213 N 0.32 -0.46 -0.50 4.55 3.57 -0.87 -0.44 116.94 123.11 3ig4 h PHE 213 Ca 0.32 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.93 3ig4 h PHE 213 Cb 0.46 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 3ig4 h PHE 213 CO -0.22 -0.25 0.15 1.15 -2.23 0.00 0.00 178.31 176.91 3ig4 h THR 214 N -0.21 0.78 0.36 4.41 2.02 -0.95 -0.31 112.91 119.01 3ig4 h THR 214 Ca 0.10 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3ig4 h THR 214 Cb 0.37 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3ig4 h THR 214 CO -0.27 0.06 -0.17 -0.07 0.37 0.00 0.00 175.52 175.43 3ig4 h LEU 215 N 0.31 -0.41 -0.86 2.58 4.07 -1.09 -2.88 115.31 117.03 3ig4 h LEU 215 Ca 0.25 -0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.19 3ig4 h LEU 215 Cb 0.30 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.08 3ig4 h LEU 215 CO -0.28 -0.17 0.54 0.50 -1.08 0.00 0.00 178.44 177.95 3ig4 h LYS 216 N -0.65 0.96 0.00 1.13 1.63 -0.74 -0.59 116.57 118.31 3ig4 h LYS 216 Ca -0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3ig4 h LYS 216 Cb 0.47 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3ig4 h LYS 216 CO 0.08 0.63 0.00 0.77 -3.45 0.00 0.00 179.45 177.49 3ig4 h SER 217 N 0.99 0.00 -0.50 4.20 0.02 -1.05 -1.73 113.55 115.47 3ig4 h SER 217 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3ig4 h SER 217 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3ig4 h SER 217 CO -0.16 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.33 3ig4 n SER 218 N -3.05 2.85 0.00 3.07 7.64 -0.26 -4.92 113.62 118.94 3ig4 n SER 218 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3ig4 n SER 218 Cb 0.27 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.36 1.43 3.64 0.23 0.00 -0.65 -5.02 105.19 106.17 3ig4 n GLY 219 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.34 3.23 0.05 -0.61 1.09 -1.03 -4.89 121.20 116.69 3ig4 s ILE 220 Ca 0.00 0.26 0.07 0.00 -1.10 0.00 0.00 60.65 59.88 3ig4 s ILE 220 Cb 0.00 -3.22 -0.23 0.00 -1.06 0.00 0.00 42.46 37.95 3ig4 s ILE 220 CO 0.00 -0.08 1.01 0.11 -0.10 0.00 0.00 174.94 175.88 3ig4 h LYS 221 N 11.81 0.05 -5.09 2.79 1.57 -1.89 -3.37 116.57 122.44 3ig4 h LYS 221 Ca -0.42 -0.09 -0.34 0.00 -1.87 0.00 0.00 60.65 57.93 3ig4 h LYS 221 Cb 1.21 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 33.39 3ig4 h LYS 221 CO 0.96 0.87 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.97 3ig4 s HIS 222 N -2.66 1.21 0.49 -1.35 3.76 -1.26 -5.09 115.29 110.40 3ig4 s HIS 222 Ca -0.03 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 3ig4 s HIS 222 Cb 0.09 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 3ig4 s HIS 222 CO 0.83 0.06 0.76 -1.01 -0.85 0.00 0.00 174.74 174.53 3ig4 s HIS 223 N -2.75 3.30 0.15 1.40 3.76 -1.26 -2.23 115.29 117.66 3ig4 s HIS 223 Ca 0.11 0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 3ig4 s HIS 223 Cb -0.01 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 3ig4 s HIS 223 CO 0.01 -0.47 1.50 0.00 -0.85 0.00 0.00 174.74 174.93 3ig4 h ALA 224 N 0.20 0.62 -2.89 -1.40 0.00 -0.58 -3.41 119.26 111.80 3ig4 h ALA 224 Ca -0.46 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.06 3ig4 h ALA 224 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3ig4 h ALA 224 CO 0.59 0.68 0.30 -0.59 0.00 0.00 0.00 179.25 180.23 3ig4 s PHE 225 N -4.43 -0.04 -0.10 0.00 -0.71 -1.26 -4.76 117.98 106.67 3ig4 s PHE 225 Ca -0.11 -0.48 -0.29 0.00 -1.04 0.00 0.00 56.93 55.00 3ig4 s PHE 225 Cb 0.11 0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 42.63 3ig4 s PHE 225 CO 0.88 -1.30 1.71 -0.80 -1.34 0.00 0.00 175.22 174.37 3ig4 s ASN 226 N -3.02 6.48 0.16 1.98 0.02 -1.26 -4.73 114.94 114.57 3ig4 s ASN 226 Ca 0.14 2.08 -0.34 0.00 -1.02 0.00 0.00 52.86 53.72 3ig4 s ASN 226 Cb -0.05 -2.53 -0.15 0.00 0.02 0.00 0.00 41.25 38.54 3ig4 s ASN 226 CO 0.08 -1.11 1.41 0.41 0.02 0.00 0.00 177.10 177.91 3ig4 n THR 227 N 5.91 0.36 -3.62 1.60 -1.04 -1.26 -4.93 114.28 111.30 3ig4 n THR 227 Ca 0.19 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.73 3ig4 n THR 227 Cb 0.43 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.39 5.04 -0.51 12.58 1.01 0.41 -4.80 121.20 135.33 3ig4 s ILE 228 Ca 0.77 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.44 3ig4 s ILE 228 Cb -0.78 -3.44 0.15 0.00 0.01 0.00 0.00 42.46 38.41 3ig4 s ILE 228 CO 0.45 0.21 0.34 -0.22 0.00 0.00 0.00 174.94 175.72 3ig4 s LEU 229 N 1.71 2.98 -0.18 2.97 0.20 -1.26 -1.29 118.68 123.80 3ig4 s LEU 229 Ca 0.06 -3.09 -0.02 0.00 0.69 0.00 0.00 54.13 51.78 3ig4 s LEU 229 Cb -0.16 -1.06 -0.01 0.00 -0.43 0.00 0.00 46.19 44.53 3ig4 s LEU 229 CO 0.09 -0.19 -0.08 0.00 -0.29 0.00 0.00 176.35 175.88 3ig4 s ALA 230 N -0.23 2.76 0.28 5.97 0.00 -0.63 -4.65 121.76 125.25 3ig4 s ALA 230 Ca 0.23 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.24 3ig4 s ALA 230 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3ig4 s ALA 230 CO -0.10 -0.12 0.20 -1.54 0.00 0.00 0.00 175.76 174.20 3ig4 s SER 231 N 0.95 5.30 0.00 0.00 1.04 -1.26 -0.49 113.70 119.25 3ig4 s SER 231 Ca -0.01 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3ig4 s SER 231 Cb -0.15 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.78 3ig4 s SER 231 CO 0.00 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.70 3ig4 n GLY 232 N -1.19 2.05 0.29 7.32 0.00 -0.73 -0.70 105.19 112.23 3ig4 n GLY 232 Ca -0.06 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 0.13 -0.15 1.61 3.64 -1.93 -2.60 116.57 117.28 3ig4 h LYS 233 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ig4 h LYS 233 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3ig4 h LYS 233 CO 0.00 0.09 0.07 -0.91 -2.27 0.00 0.00 179.45 176.43 3ig4 h ASN 234 N 0.14 0.18 0.00 4.20 -0.26 -1.25 -1.22 115.58 117.36 3ig4 h ASN 234 Ca 0.09 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3ig4 h ASN 234 Cb 0.19 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3ig4 h ASN 234 CO -0.01 0.16 0.08 0.00 -1.06 0.00 0.00 177.43 176.59 3ig4 n ALA 235 N -2.51 0.87 0.17 -0.83 0.00 -0.98 -0.92 120.51 116.31 3ig4 n ALA 235 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3ig4 n ALA 235 Cb 0.10 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 0.27 -3.39 0.00 2.02 -1.43 -3.42 112.91 106.96 3ig4 h THR 236 Ca 0.00 -1.40 -0.60 0.00 0.77 0.00 0.00 66.41 65.17 3ig4 h THR 236 Cb 0.15 2.05 -0.10 0.00 -1.74 0.00 0.00 68.15 68.52 3ig4 h THR 236 CO 0.00 0.16 0.34 -0.69 0.37 0.00 0.00 175.52 175.70 3ig4 s VAL 237 N -3.14 4.88 0.16 3.16 1.01 -0.10 -4.97 120.40 121.40 3ig4 s VAL 237 Ca 0.05 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 3ig4 s VAL 237 Cb 0.07 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3ig4 s VAL 237 CO 0.72 -0.09 1.75 -0.07 0.00 0.00 0.00 175.10 177.41 3ig4 h LEU 238 N 9.17 0.15 -3.41 3.92 4.07 -1.86 -2.53 115.31 124.80 3ig4 h LEU 238 Ca -0.25 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.55 3ig4 h LEU 238 Cb 1.10 0.03 -0.13 0.00 1.08 0.00 0.00 40.66 42.75 3ig4 h LEU 238 CO 0.84 0.12 -0.01 1.41 -1.08 0.00 0.00 178.44 179.72 3ig4 n HIS 239 N -5.01 1.28 -1.61 1.13 8.25 -1.26 -5.03 115.22 112.96 3ig4 n HIS 239 Ca 0.03 -1.62 -0.61 0.00 -0.26 0.00 0.00 57.72 55.25 3ig4 n HIS 239 Cb 0.15 -0.54 -0.09 0.00 1.12 0.00 0.00 29.99 30.63 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 -1.11 1.74 0.00 4.41 9.36 -0.96 -4.84 117.16 125.75 3ig4 n TYR 240 Ca 0.36 0.78 0.00 0.00 3.32 0.00 0.00 57.90 62.36 3ig4 n TYR 240 Cb 1.10 -2.35 0.00 0.00 -0.63 0.00 0.00 39.34 37.46 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 5.55 5.24 -0.29 2.98 1.02 -1.26 -4.31 120.64 129.57 3ig4 n GLU 241 Ca 0.35 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.58 3ig4 n GLU 241 Cb 0.04 -0.49 0.25 0.00 -0.02 0.00 0.00 31.44 31.21 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 0.31 -6.08 1.62 3.32 -1.92 -3.45 116.42 110.22 3ig4 h ASP 242 Ca 0.00 0.13 -0.44 0.00 0.02 0.00 0.00 57.03 56.74 3ig4 h ASP 242 Cb 0.00 0.11 -0.15 0.00 0.22 0.00 0.00 39.33 39.51 3ig4 h ASP 242 CO 0.00 0.06 -0.66 0.59 -1.72 0.00 0.00 179.24 177.50 3ig4 n ASN 243 N -5.02 -3.36 -1.21 6.45 3.02 -1.26 -4.82 115.26 109.06 3ig4 n ASN 243 Ca 0.18 -0.65 0.04 0.00 -0.03 0.00 0.00 54.58 54.12 3ig4 n ASN 243 Cb 0.53 -2.77 0.09 0.00 -0.61 0.00 0.00 39.78 37.02 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 -2.42 1.30 -4.75 6.41 5.68 -1.26 -2.18 116.55 119.33 3ig4 n ASP 244 Ca 0.04 -2.69 -0.23 0.00 -0.50 0.00 0.00 54.79 51.40 3ig4 n ASP 244 Cb 0.51 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 3ig4 n ASP 244 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ig4 s ALA 245 N -1.26 3.41 0.18 2.12 0.00 -1.26 -4.90 121.76 120.06 3ig4 s ALA 245 Ca 0.35 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 3ig4 s ALA 245 Cb 0.38 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 3ig4 s ALA 245 CO -0.13 0.29 0.83 -1.14 0.00 0.00 0.00 175.76 175.62 3ig4 s GLN 246 N -3.65 4.66 -0.47 0.00 0.74 -1.26 -1.24 119.66 118.44 3ig4 s GLN 246 Ca 0.32 1.27 -0.27 0.00 0.05 0.00 0.00 55.36 56.73 3ig4 s GLN 246 Cb -0.08 -3.28 0.03 0.00 1.10 0.00 0.00 33.01 30.78 3ig4 s GLN 246 CO 0.23 0.53 1.01 0.42 -0.55 0.00 0.00 175.29 176.92 3ig4 s ILE 247 N -1.06 4.37 0.41 -2.34 1.01 -1.26 -4.91 121.20 117.42 3ig4 s ILE 247 Ca 0.38 0.93 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 3ig4 s ILE 247 Cb -0.24 -4.50 -0.09 0.00 0.01 0.00 0.00 42.46 37.64 3ig4 s ILE 247 CO 0.28 -0.90 1.06 -1.10 0.00 0.00 0.00 174.94 174.28 3ig4 s GLN 248 N 4.03 4.09 0.21 2.79 -1.52 -1.26 -0.04 119.66 127.96 3ig4 s GLN 248 Ca 0.41 1.54 -0.32 0.00 -1.95 0.00 0.00 55.36 55.04 3ig4 s GLN 248 Cb -0.09 -2.50 -0.12 0.00 -0.22 0.00 0.00 33.01 30.08 3ig4 s GLN 248 CO 0.28 -0.21 1.68 1.21 -0.25 0.00 0.00 175.29 178.01 3ig4 s ASN 249 N -1.56 6.41 0.00 5.90 3.04 -1.26 -1.31 114.94 126.16 3ig4 s ASN 249 Ca 0.59 2.84 0.00 0.00 0.04 0.00 0.00 52.86 56.33 3ig4 s ASN 249 Cb -0.23 -2.60 0.00 0.00 -1.54 0.00 0.00 41.25 36.88 3ig4 s ASN 249 CO 0.28 -0.94 0.00 0.61 -3.04 0.00 0.00 177.10 174.01 3ig4 n GLY 250 N 3.75 2.09 3.73 1.21 0.00 -1.26 -5.06 105.19 109.66 3ig4 n GLY 250 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.65 4.36 -0.01 1.61 1.01 -0.43 -4.90 116.67 116.67 3ig4 s ASP 251 Ca 0.00 2.42 -0.01 0.00 0.71 0.00 0.00 52.55 55.66 3ig4 s ASP 251 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3ig4 s ASP 251 CO 0.00 -2.16 0.13 -0.22 0.21 0.00 0.00 175.17 173.13 3ig4 s LEU 252 N -4.90 4.11 -0.20 1.23 2.96 -1.26 -2.12 118.68 118.50 3ig4 s LEU 252 Ca 0.76 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.90 3ig4 s LEU 252 Cb -0.31 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 43.96 3ig4 s LEU 252 CO 0.43 0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.90 3ig4 s VAL 253 N -1.26 2.59 -0.29 1.68 1.01 0.25 -1.77 120.40 122.62 3ig4 s VAL 253 Ca 0.25 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3ig4 s VAL 253 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ig4 s VAL 253 CO 0.16 0.46 0.25 -0.22 0.00 0.00 0.00 175.10 175.76 3ig4 s LEU 254 N 1.36 4.10 -0.18 3.92 0.20 0.36 -1.47 118.68 126.97 3ig4 s LEU 254 Ca 0.05 0.01 -0.08 0.00 0.69 0.00 0.00 54.13 54.79 3ig4 s LEU 254 Cb -0.14 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 3ig4 s LEU 254 CO -0.09 -0.12 0.09 -0.76 -0.29 0.00 0.00 176.35 175.18 3ig4 s LEU 255 N 1.85 3.97 -0.19 -0.68 1.43 0.50 -1.61 118.68 123.96 3ig4 s LEU 255 Ca 0.09 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3ig4 s LEU 255 Cb -0.16 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.11 3ig4 s LEU 255 CO 0.11 0.19 0.04 -0.62 0.23 0.00 0.00 176.35 176.30 3ig4 s ASP 256 N 0.27 2.91 0.27 2.29 -1.08 -0.42 0.48 116.67 121.39 3ig4 s ASP 256 Ca 0.05 -0.82 -0.21 0.00 -0.52 0.00 0.00 52.55 51.05 3ig4 s ASP 256 Cb -0.12 -0.59 0.04 0.00 -1.46 0.00 0.00 42.92 40.79 3ig4 s ASP 256 CO -0.00 -0.31 0.81 -1.48 0.52 0.00 0.00 175.17 174.70 3ig4 s LEU 257 N 1.86 -0.17 -0.29 -1.34 0.05 -0.41 -0.44 118.68 117.95 3ig4 s LEU 257 Ca -0.01 -0.69 -0.26 0.00 0.05 0.00 0.00 54.13 53.23 3ig4 s LEU 257 Cb -0.17 2.59 0.17 0.00 -2.05 0.00 0.00 46.19 46.73 3ig4 s LEU 257 CO -0.08 -1.31 1.31 -0.83 -0.55 0.00 0.00 176.35 174.89 3ig4 s GLY 258 N -2.99 0.17 0.63 -3.48 0.00 -1.26 -1.32 107.32 99.07 3ig4 s GLY 258 Ca 0.13 3.17 -0.08 0.00 0.00 0.00 0.00 44.72 47.94 3ig4 s GLY 258 CO 0.07 1.78 0.97 0.00 0.00 0.00 0.00 173.10 175.92 3ig4 s ALA 259 N -0.09 3.16 -0.09 3.20 0.00 -1.26 0.01 121.76 126.68 3ig4 s ALA 259 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3ig4 s ALA 259 Cb -0.04 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.35 3ig4 s ALA 259 CO -0.12 -0.93 -0.10 -1.14 0.00 0.00 0.00 175.76 173.47 3ig4 s GLN 260 N -5.13 1.64 -0.15 0.00 0.74 -0.95 -1.57 119.66 114.25 3ig4 s GLN 260 Ca 0.55 -0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.61 3ig4 s GLN 260 Cb -0.11 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.49 3ig4 s GLN 260 CO 0.47 -0.11 -0.11 0.21 -0.55 0.00 0.00 175.29 175.21 3ig4 s LYS 261 N 1.13 3.39 -1.55 1.67 2.47 0.16 -4.44 119.74 122.56 3ig4 s LYS 261 Ca -0.06 -0.67 -0.07 0.00 -1.56 0.00 0.00 55.97 53.61 3ig4 s LYS 261 Cb -0.14 -2.72 0.07 0.00 -1.46 0.00 0.00 37.83 33.58 3ig4 s LYS 261 CO -0.02 0.13 0.18 -0.25 0.16 0.00 0.00 175.35 175.55 3ig4 n ASP 262 N 3.79 0.05 0.00 1.43 8.00 -1.26 0.10 116.55 128.65 3ig4 n ASP 262 Ca -0.18 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3ig4 n ASP 262 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 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 -4.17 0.00 -3.42 1.24 4.01 -1.26 -5.00 117.16 108.56 3ig4 n TYR 263 Ca -0.17 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.24 3ig4 n TYR 263 Cb 0.58 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.06 3.50 -0.09 -0.72 1.51 0.11 -4.47 117.35 114.14 3ig4 s TYR 264 Ca 0.00 0.92 0.02 0.00 -1.01 0.00 0.00 57.07 57.00 3ig4 s TYR 264 Cb 0.00 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 3ig4 s TYR 264 CO 0.00 0.35 -0.14 -0.80 -1.11 0.00 0.00 175.55 173.85 3ig4 s ASN 265 N -2.09 4.03 0.20 2.29 0.01 -0.66 -0.67 114.94 118.05 3ig4 s ASN 265 Ca 0.43 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 3ig4 s ASN 265 Cb -0.13 -1.20 -0.04 0.00 0.41 0.00 0.00 41.25 40.30 3ig4 s ASN 265 CO 0.20 0.27 0.38 0.00 -1.51 0.00 0.00 177.10 176.43 3ig4 s ALA 266 N -0.25 3.85 -0.27 0.60 0.00 -0.61 -4.56 121.76 120.53 3ig4 s ALA 266 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 3ig4 s ALA 266 Cb -0.13 -1.95 0.14 0.00 0.00 0.00 0.00 23.12 21.18 3ig4 s ALA 266 CO 0.03 0.43 0.35 0.34 0.00 0.00 0.00 175.76 176.91 3ig4 s ASP 267 N -3.23 0.85 -0.03 0.00 2.15 -1.26 -4.27 116.67 110.88 3ig4 s ASP 267 Ca 0.38 -0.35 0.05 0.00 0.43 0.00 0.00 52.55 53.06 3ig4 s ASP 267 Cb -0.11 0.86 -0.01 0.00 -0.30 0.00 0.00 42.92 43.36 3ig4 s ASP 267 CO 0.29 -0.35 -0.17 -0.63 -0.17 0.00 0.00 175.17 174.14 3ig4 s ILE 268 N 2.47 1.37 -0.08 4.11 -1.09 -0.44 -4.57 121.20 122.97 3ig4 s ILE 268 Ca 0.10 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 3ig4 s ILE 268 Cb -0.14 -1.16 -0.02 0.00 -1.58 0.00 0.00 42.46 39.56 3ig4 s ILE 268 CO -0.26 0.39 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.25 3ig4 s SER 269 N -0.16 3.94 -0.07 3.58 0.01 -1.23 -1.29 113.70 118.49 3ig4 s SER 269 Ca 0.01 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 3ig4 s SER 269 Cb -0.09 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 65.05 3ig4 s SER 269 CO 0.01 0.27 0.17 -0.47 0.41 0.00 0.00 173.24 173.63 3ig4 s TYR 270 N -0.31 -0.19 -0.04 2.43 6.14 0.18 -1.40 117.35 124.16 3ig4 s TYR 270 Ca 0.02 0.49 0.03 0.00 0.64 0.00 0.00 57.07 58.25 3ig4 s TYR 270 Cb -0.13 0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.29 3ig4 s TYR 270 CO 0.03 -0.12 -0.13 0.99 0.64 0.00 0.00 175.55 176.96 3ig4 s THR 271 N 0.38 1.15 0.20 4.34 2.01 -1.25 0.19 115.64 122.65 3ig4 s THR 271 Ca -0.02 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 3ig4 s THR 271 Cb -0.04 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3ig4 s THR 271 CO -0.02 0.34 0.31 0.72 -0.69 0.00 0.00 174.62 175.28 3ig4 s PHE 272 N 0.21 0.60 -0.11 4.92 -0.12 -0.54 -4.97 117.98 117.97 3ig4 s PHE 272 Ca -0.06 -0.93 -0.22 0.00 -0.05 0.00 0.00 56.93 55.68 3ig4 s PHE 272 Cb -0.11 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3ig4 s PHE 272 CO 0.02 -0.79 0.66 -1.25 -0.05 0.00 0.00 175.22 173.81 3ig4 s PRO 273 N -4.04 4.37 0.18 1.99 0.04 -1.26 0.87 135.00 137.14 3ig4 s PRO 273 Ca 0.25 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 3ig4 s PRO 273 Cb 0.03 -3.48 0.15 0.00 0.04 0.00 0.00 34.50 31.24 3ig4 s PRO 273 CO 0.06 -0.00 1.72 0.00 0.04 0.00 0.00 177.00 178.83 3ig4 h ALA 274 N 6.92 0.51 -0.10 8.56 0.00 -1.76 -1.89 119.26 131.50 3ig4 h ALA 274 Ca -0.38 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ig4 h ALA 274 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ig4 h ALA 274 CO 0.76 -0.30 0.00 0.27 0.00 0.00 0.00 179.25 179.98 3ig4 n ASN 275 N -5.09 0.71 0.00 0.00 0.23 -1.26 -4.13 115.26 105.71 3ig4 n ASN 275 Ca 0.04 -1.76 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 3ig4 n ASN 275 Cb 0.21 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.83 0.74 2.74 4.83 0.00 -0.71 -4.99 105.19 108.63 3ig4 n GLY 276 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.71 0.13 0.19 2.61 2.01 -1.26 -4.60 115.64 112.01 3ig4 s THR 277 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3ig4 s THR 277 Cb 0.00 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 72.11 3ig4 s THR 277 CO 0.00 0.20 1.32 -0.36 -0.69 0.00 0.00 174.62 175.08 3ig4 s PHE 278 N 1.82 3.25 0.64 4.92 0.08 -1.26 -4.84 117.98 122.60 3ig4 s PHE 278 Ca 0.01 1.20 -0.12 0.00 0.12 0.00 0.00 56.93 58.15 3ig4 s PHE 278 Cb -0.12 -3.61 -0.02 0.00 -0.57 0.00 0.00 43.02 38.69 3ig4 s PHE 278 CO -0.03 -1.92 1.04 -1.54 -0.10 0.00 0.00 175.22 172.67 3ig4 s SER 279 N 0.38 5.81 0.15 1.36 1.04 -1.26 -4.78 113.70 116.40 3ig4 s SER 279 Ca 0.57 1.57 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 3ig4 s SER 279 Cb -0.37 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.21 3ig4 s SER 279 CO 0.38 -1.15 1.56 0.28 0.98 0.00 0.00 173.24 175.28 3ig4 h SER 280 N -0.31 -1.74 -0.45 7.02 0.02 -1.99 0.56 113.55 116.66 3ig4 h SER 280 Ca -0.44 0.25 0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3ig4 h SER 280 Cb 1.20 0.74 -0.07 0.00 0.14 0.00 0.00 62.40 64.42 3ig4 h SER 280 CO 0.59 -0.37 0.04 -0.09 -1.14 0.00 0.00 176.83 175.86 3ig4 h ARG 281 N -0.31 0.15 -0.53 3.45 9.65 -2.00 -1.16 114.38 123.63 3ig4 h ARG 281 Ca 0.12 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3ig4 h ARG 281 Cb 0.57 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 3ig4 h ARG 281 CO -0.65 0.10 0.23 1.96 2.80 0.00 0.00 179.97 184.42 3ig4 h GLN 282 N 0.16 0.77 -0.98 0.20 4.20 -1.65 -1.96 115.11 115.84 3ig4 h GLN 282 Ca 0.23 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 58.91 3ig4 h GLN 282 Cb 0.31 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 3ig4 h GLN 282 CO -0.34 0.66 0.62 -0.22 -0.67 0.00 0.00 178.83 178.88 3ig4 h LYS 283 N 0.71 0.99 0.46 1.46 3.64 0.82 -0.09 116.57 124.56 3ig4 h LYS 283 Ca 0.18 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3ig4 h LYS 283 Cb 0.16 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3ig4 h LYS 283 CO -0.02 0.66 -0.22 1.96 -2.27 0.00 0.00 179.45 179.56 3ig4 h GLN 284 N 1.02 -0.60 -0.98 1.90 4.20 -0.53 -2.40 115.11 117.72 3ig4 h GLN 284 Ca 0.47 0.04 0.15 0.00 0.06 0.00 0.00 58.65 59.37 3ig4 h GLN 284 Cb 0.39 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.21 3ig4 h GLN 284 CO -0.24 -0.40 0.60 0.82 -0.67 0.00 0.00 178.83 178.94 3ig4 h ILE 285 N -0.62 0.82 0.39 2.54 1.08 -1.20 -1.90 117.51 118.61 3ig4 h ILE 285 Ca -0.06 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3ig4 h ILE 285 Cb 0.48 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 3ig4 h ILE 285 CO 0.10 0.16 -0.31 0.22 -0.69 0.00 0.00 178.15 177.63 3ig4 h TYR 286 N 0.86 -0.84 -0.97 1.37 5.03 -0.99 -2.20 116.97 119.22 3ig4 h TYR 286 Ca 0.52 0.00 0.20 0.00 2.58 0.00 0.00 58.73 62.03 3ig4 h TYR 286 Cb 0.66 0.32 -0.09 0.00 1.55 0.00 0.00 36.73 39.17 3ig4 h TYR 286 CO -0.02 -0.43 0.61 -0.91 -1.32 0.00 0.00 178.16 176.10 3ig4 h ASN 287 N -0.67 0.63 -0.13 -2.11 2.35 -0.91 0.37 115.58 115.10 3ig4 h ASN 287 Ca -0.05 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3ig4 h ASN 287 Cb 0.56 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3ig4 h ASN 287 CO 0.01 0.23 -0.14 0.40 -1.65 0.00 0.00 177.43 176.28 3ig4 h ILE 288 N 0.62 0.62 -0.58 2.81 2.04 -1.14 0.33 117.51 122.21 3ig4 h ILE 288 Ca 0.54 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.37 3ig4 h ILE 288 Cb 1.03 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3ig4 h ILE 288 CO -0.29 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.68 3ig4 h VAL 289 N -0.17 1.22 -0.39 1.67 2.07 0.08 -2.39 116.25 118.35 3ig4 h VAL 289 Ca 0.09 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3ig4 h VAL 289 Cb 0.31 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ig4 h VAL 289 CO -0.23 0.26 0.13 0.25 0.02 0.00 0.00 177.57 178.00 3ig4 h LEU 290 N 0.80 0.14 0.08 2.57 5.85 0.07 -1.86 115.31 122.95 3ig4 h LEU 290 Ca 0.20 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3ig4 h LEU 290 Cb 0.18 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3ig4 h LEU 290 CO -0.02 0.12 -0.29 0.78 -0.34 0.00 0.00 178.44 178.69 3ig4 h ASN 291 N 0.29 -0.84 -1.07 1.25 2.35 -0.03 0.56 115.58 118.10 3ig4 h ASN 291 Ca 0.18 0.10 0.29 0.00 -0.55 0.00 0.00 56.30 56.32 3ig4 h ASN 291 Cb 0.16 0.33 -0.09 0.00 0.05 0.00 0.00 38.32 38.76 3ig4 h ASN 291 CO -0.18 -0.37 0.70 0.00 -1.65 0.00 0.00 177.43 175.92 3ig4 h ALA 292 N 0.25 2.34 0.65 -0.83 0.00 -1.08 0.25 119.26 120.84 3ig4 h ALA 292 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ig4 h ALA 292 Cb 0.53 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ig4 h ALA 292 CO -0.20 -0.76 -0.31 1.25 0.00 0.00 0.00 179.25 179.23 3ig4 h LEU 293 N 0.33 -0.74 -0.29 0.00 5.85 -0.10 -0.80 115.31 119.56 3ig4 h LEU 293 Ca 0.61 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.30 3ig4 h LEU 293 Cb 1.65 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 3ig4 h LEU 293 CO -0.28 -0.40 0.11 0.11 -0.34 0.00 0.00 178.44 177.64 3ig4 h LYS 294 N -1.09 0.44 -0.03 1.25 1.57 -0.13 0.88 116.57 119.46 3ig4 h LYS 294 Ca -0.09 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3ig4 h LYS 294 Cb 0.71 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 3ig4 h LYS 294 CO 0.15 0.46 -0.27 0.93 -0.57 0.00 0.00 179.45 180.15 3ig4 h GLU 295 N 0.32 -0.38 -0.27 3.15 4.39 -0.64 0.23 114.58 121.39 3ig4 h GLU 295 Ca 0.10 0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 3ig4 h GLU 295 Cb 0.19 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3ig4 h GLU 295 CO -0.01 -0.25 -0.37 1.15 -1.16 0.00 0.00 179.01 178.37 3ig4 h THR 296 N -0.39 1.29 -0.70 1.13 2.02 -1.00 -2.24 112.91 113.02 3ig4 h THR 296 Ca 0.07 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 3ig4 h THR 296 Cb 0.49 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3ig4 h THR 296 CO -0.26 0.48 0.41 0.74 0.37 0.00 0.00 175.52 177.26 3ig4 h THR 297 N 0.50 1.21 -0.53 3.16 2.02 -0.54 -3.19 112.91 115.55 3ig4 h THR 297 Ca 0.05 -0.48 0.11 0.00 0.77 0.00 0.00 66.41 66.85 3ig4 h THR 297 Cb 0.87 0.26 -0.11 0.00 -1.74 0.00 0.00 68.15 67.43 3ig4 h THR 297 CO 0.07 0.22 -0.20 -0.08 0.37 0.00 0.00 175.52 175.90 3ig4 h GLU 298 N 0.95 -0.08 0.00 6.66 4.57 0.10 -2.24 114.58 124.55 3ig4 h GLU 298 Ca 0.25 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3ig4 h GLU 298 Cb -0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3ig4 h GLU 298 CO -0.04 -0.05 0.00 0.44 -1.18 0.00 0.00 179.01 178.18 3ig4 n ILE 299 N -5.41 0.00 -2.47 2.32 -5.35 -1.19 -4.83 119.36 102.43 3ig4 n ILE 299 Ca 0.05 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.10 3ig4 n ILE 299 Cb 0.32 -0.39 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 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 -2.00 4.29 -0.18 7.28 1.01 -0.85 -4.93 121.20 125.83 3ig4 s ILE 300 Ca 0.19 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 3ig4 s ILE 300 Cb 0.09 -4.04 0.14 0.00 0.01 0.00 0.00 42.46 38.66 3ig4 s ILE 300 CO 0.15 -0.02 1.11 -1.59 0.00 0.00 0.00 174.94 174.59 3ig4 s LYS 301 N 2.33 0.44 0.37 2.79 -2.85 -1.26 -3.61 119.74 117.95 3ig4 s LYS 301 Ca 0.55 0.04 -0.25 0.00 -1.00 0.00 0.00 55.97 55.31 3ig4 s LYS 301 Cb -0.24 0.21 -0.12 0.00 -2.06 0.00 0.00 37.83 35.62 3ig4 s LYS 301 CO 0.21 -0.15 0.94 -2.30 0.10 0.00 0.00 175.35 174.14 3ig4 n PRO 302 N 0.48 1.22 0.00 1.78 -0.02 -1.26 -1.71 135.00 135.49 3ig4 n PRO 302 Ca -0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3ig4 n PRO 302 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.29 3.04 3.71 -1.23 0.00 -0.86 -4.96 105.19 106.18 3ig4 n GLY 303 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.37 0.24 0.99 2.96 -0.70 -4.74 118.68 121.81 3ig4 s LEU 304 Ca 0.00 2.23 -0.30 0.00 -0.22 0.00 0.00 54.13 55.84 3ig4 s LEU 304 Cb 0.00 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 3ig4 s LEU 304 CO 0.00 -0.61 1.38 -0.54 -1.32 0.00 0.00 176.35 175.26 3ig4 s LYS 305 N 1.17 4.32 0.18 1.98 1.02 -1.26 -0.43 119.74 126.72 3ig4 s LYS 305 Ca 0.63 2.21 -0.13 0.00 0.02 0.00 0.00 55.97 58.69 3ig4 s LYS 305 Cb -0.35 -3.13 0.16 0.00 -0.52 0.00 0.00 37.83 33.99 3ig4 s LYS 305 CO 0.30 -0.33 1.73 0.35 -0.92 0.00 0.00 175.35 176.47 3ig4 h PHE 306 N 4.95 0.21 -0.29 3.18 3.57 -0.77 -0.52 116.94 127.27 3ig4 h PHE 306 Ca -0.46 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.15 3ig4 h PHE 306 Cb 1.22 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3ig4 h PHE 306 CO 0.60 0.04 0.59 0.00 -2.23 0.00 0.00 178.31 177.31 3ig4 h ALA 307 N 1.34 1.93 -0.05 2.41 0.00 -1.89 -1.36 119.26 121.63 3ig4 h ALA 307 Ca 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3ig4 h ALA 307 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ig4 h ALA 307 CO -0.28 -0.74 -0.49 0.00 0.00 0.00 0.00 179.25 177.74 3ig4 h ALA 308 N 1.08 1.08 0.29 0.00 0.00 -1.46 -3.04 119.26 117.22 3ig4 h ALA 308 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ig4 h ALA 308 Cb 1.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ig4 h ALA 308 CO -0.00 0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 179.50 3ig4 h LEU 309 N 0.11 -0.86 -1.09 0.00 3.38 -1.39 -0.73 115.31 114.73 3ig4 h LEU 309 Ca 0.00 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3ig4 h LEU 309 Cb 0.91 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3ig4 h LEU 309 CO 0.07 -0.44 -0.17 -1.13 0.09 0.00 0.00 178.44 176.86 3ig4 h ASN 310 N -0.65 0.43 0.04 -0.43 -0.00 -1.73 -1.09 115.58 112.15 3ig4 h ASN 310 Ca -0.01 -0.12 0.02 0.00 -0.00 0.00 0.00 56.30 56.19 3ig4 h ASN 310 Cb 0.60 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.77 3ig4 h ASN 310 CO -0.08 0.62 -0.17 -0.33 -0.00 0.00 0.00 177.43 177.47 3ig4 h GLU 311 N 0.40 -0.30 -0.47 6.67 5.08 -1.34 -0.60 114.58 124.03 3ig4 h GLU 311 Ca 0.07 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3ig4 h GLU 311 Cb 0.54 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3ig4 h GLU 311 CO 0.03 -0.20 0.25 1.25 -1.00 0.00 0.00 179.01 179.35 3ig4 h HIS 312 N -0.31 0.65 -0.17 4.33 2.76 -0.79 -1.16 115.15 120.46 3ig4 h HIS 312 Ca 0.04 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3ig4 h HIS 312 Cb 0.35 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 3ig4 h HIS 312 CO -0.20 0.49 -0.16 0.00 -1.30 0.00 0.00 177.93 176.76 3ig4 h ALA 313 N 1.10 -0.05 -0.61 5.26 0.00 -0.98 0.19 119.26 124.18 3ig4 h ALA 313 Ca 0.16 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3ig4 h ALA 313 Cb 0.06 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3ig4 h ALA 313 CO -0.03 -0.60 0.33 0.87 0.00 0.00 0.00 179.25 179.83 3ig4 h LYS 314 N -0.18 0.61 -0.04 0.00 1.57 -0.86 0.60 116.57 118.28 3ig4 h LYS 314 Ca 0.11 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ig4 h LYS 314 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ig4 h LYS 314 CO -0.28 0.41 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.76 3ig4 h LYS 315 N 0.63 -0.04 -0.24 3.15 3.64 -0.22 -0.30 116.57 123.19 3ig4 h LYS 315 Ca 0.27 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.49 3ig4 h LYS 315 Cb 0.15 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3ig4 h LYS 315 CO -0.17 -0.03 -0.49 0.28 -2.27 0.00 0.00 179.45 176.78 3ig4 h VAL 316 N -0.04 1.30 0.06 2.00 2.07 -0.31 -2.19 116.25 119.14 3ig4 h VAL 316 Ca 0.03 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 3ig4 h VAL 316 Cb 0.08 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ig4 h VAL 316 CO -0.06 0.54 -0.03 -0.07 0.02 0.00 0.00 177.57 177.97 3ig4 h LEU 317 N 0.52 -0.07 -0.69 2.57 3.38 -0.79 -2.17 115.31 118.06 3ig4 h LEU 317 Ca 0.02 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.03 3ig4 h LEU 317 Cb 1.04 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 3ig4 h LEU 317 CO 0.10 0.06 0.16 0.00 0.09 0.00 0.00 178.44 178.85 3ig4 h ALA 318 N 0.74 0.86 -0.82 1.53 0.00 -0.97 0.12 119.26 120.72 3ig4 h ALA 318 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ig4 h ALA 318 Cb 0.17 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3ig4 h ALA 318 CO 0.01 -0.32 0.49 0.93 0.00 0.00 0.00 179.25 180.36 3ig4 h GLU 319 N 0.27 1.11 -0.55 0.00 5.08 -1.20 0.75 114.58 120.05 3ig4 h GLU 319 Ca 0.38 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 3ig4 h GLU 319 Cb 0.61 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3ig4 h GLU 319 CO -0.47 0.79 -0.09 0.78 -1.00 0.00 0.00 179.01 179.02 3ig4 h GLY 320 N 1.12 1.11 1.19 -3.84 0.00 -0.65 -2.17 103.07 99.83 3ig4 h GLY 320 Ca 0.29 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3ig4 h GLY 320 CO -0.05 0.80 -0.06 0.00 0.00 0.00 0.00 176.54 177.23 3ig4 h LYS 322 N 0.87 -0.71 -1.28 0.00 1.57 -0.79 0.91 116.57 117.13 3ig4 h LYS 322 Ca 0.15 0.05 0.37 0.00 -1.87 0.00 0.00 60.65 59.35 3ig4 h LYS 322 Cb 0.59 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.98 3ig4 h LYS 322 CO 0.04 -0.47 0.88 0.00 -0.57 0.00 0.00 179.45 179.32 3ig4 h ALA 323 N -1.58 2.90 0.00 3.86 0.00 -1.40 0.62 119.26 123.65 3ig4 h ALA 323 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ig4 h ALA 323 Cb 0.57 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ig4 h ALA 323 CO 0.12 -1.35 -0.72 0.28 0.00 0.00 0.00 179.25 177.58 3ig4 h VAL 324 N 0.12 0.15 0.00 0.00 2.07 -1.41 -3.48 116.25 113.71 3ig4 h VAL 324 Ca 0.68 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ig4 h VAL 324 Cb 2.33 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 3ig4 h VAL 324 CO -0.18 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.11 3ig4 n GLY 325 N 1.19 0.73 0.30 2.17 0.00 0.22 -4.96 105.19 104.83 3ig4 n GLY 325 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.71 -8.58 0.99 5.85 -1.05 -3.45 115.31 109.77 3ig4 h LEU 326 Ca 0.00 -0.12 -0.25 0.00 0.84 0.00 0.00 57.88 58.35 3ig4 h LEU 326 Cb 0.00 -0.18 -0.15 0.00 0.37 0.00 0.00 40.66 40.70 3ig4 h LEU 326 CO 0.00 0.70 -0.64 0.27 -0.34 0.00 0.00 178.44 178.43 3ig4 s ILE 327 N -5.18 0.33 -0.21 4.05 -4.36 -1.04 -5.01 121.20 109.79 3ig4 s ILE 327 Ca -0.09 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.22 3ig4 s ILE 327 Cb 0.16 -2.21 -0.09 0.00 1.25 0.00 0.00 42.46 41.57 3ig4 s ILE 327 CO 0.79 -0.35 -0.29 1.67 0.24 0.00 0.00 174.94 177.01 3ig4 n GLN 328 N -0.21 0.46 -4.41 0.37 -0.06 -1.26 -4.18 117.38 108.09 3ig4 n GLN 328 Ca -0.04 0.20 -0.26 0.00 -2.00 0.00 0.00 57.00 54.90 3ig4 n GLN 328 Cb 0.64 -1.28 -0.12 0.00 -4.06 0.00 0.00 30.24 25.42 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 -2.47 1.48 0.52 3.69 2.02 -1.26 -4.97 118.70 117.72 3ig4 s GLU 329 Ca -0.30 -1.51 0.26 0.00 0.02 0.00 0.00 54.97 53.44 3ig4 s GLU 329 Cb 0.10 -1.77 1.37 0.00 0.10 0.00 0.00 34.13 33.93 3ig4 s GLU 329 CO 0.38 0.38 1.95 -0.44 0.02 0.00 0.00 175.26 177.55 3ig4 h ASP 330 N 3.21 0.06 -0.19 -0.19 5.19 -1.96 -1.60 116.42 120.94 3ig4 h ASP 330 Ca -0.46 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 3ig4 h ASP 330 Cb 1.21 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 3ig4 h ASP 330 CO 0.48 0.03 0.08 -0.08 -3.12 0.00 0.00 179.24 176.64 3ig4 h GLU 331 N 0.06 0.34 0.00 3.56 4.81 -2.02 -2.52 114.58 118.82 3ig4 h GLU 331 Ca 0.33 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3ig4 h GLU 331 Cb 1.21 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ig4 h GLU 331 CO -0.02 0.30 -0.05 0.93 -0.73 0.00 0.00 179.01 179.44 3ig4 h GLU 332 N 0.34 0.00 -0.70 1.92 5.08 -1.72 -3.27 114.58 116.23 3ig4 h GLU 332 Ca 0.09 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 3ig4 h GLU 332 Cb 0.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.24 3ig4 h GLU 332 CO -0.01 0.05 0.14 1.25 -1.00 0.00 0.00 179.01 179.44 3ig4 h LEU 333 N 0.00 -0.04 -0.40 1.33 5.85 -1.60 -1.03 115.31 119.41 3ig4 h LEU 333 Ca -0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ig4 h LEU 333 Cb 0.40 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3ig4 h LEU 333 CO 0.01 -0.05 0.23 -1.54 -0.34 0.00 0.00 178.44 176.75 3ig4 n SER 334 N -5.18 0.16 0.20 1.25 3.41 -1.24 0.11 113.62 112.33 3ig4 n SER 334 Ca 0.13 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 3ig4 n SER 334 Cb 0.42 -0.40 0.23 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.46 -3.36 116.57 119.72 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 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3ig4 h LYS 335 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3ig4 n TYR 336 N -2.93 0.00 -3.42 1.91 4.01 0.30 -4.93 117.16 112.10 3ig4 n TYR 336 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 3ig4 n TYR 336 Cb 0.50 0.00 -0.10 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 -0.71 -0.42 -0.31 -0.72 5.04 -0.75 -0.54 117.35 118.94 3ig4 s TYR 337 Ca 0.00 -0.05 0.12 0.00 -2.44 0.00 0.00 57.07 54.71 3ig4 s TYR 337 Cb 0.00 -0.42 0.47 0.00 0.35 0.00 0.00 41.96 42.35 3ig4 s TYR 337 CO 0.00 -0.84 1.13 2.48 -1.34 0.00 0.00 175.55 176.98 3ig4 n TYR 338 N 5.31 2.27 -4.04 4.97 4.11 -1.26 -4.28 117.16 124.25 3ig4 n TYR 338 Ca -0.03 -2.41 -0.11 0.00 -0.00 0.00 0.00 57.90 55.34 3ig4 n TYR 338 Cb 0.47 -0.27 -0.05 0.00 -0.00 0.00 0.00 39.34 39.49 3ig4 n TYR 338 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.86 173.48 3ig4 s HIS 339 N -3.60 0.68 0.77 -3.48 -3.43 -1.26 -5.16 115.29 99.82 3ig4 s HIS 339 Ca 0.41 -1.00 -0.11 0.00 -0.80 0.00 0.00 55.06 53.56 3ig4 s HIS 339 Cb 0.39 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 31.64 3ig4 s HIS 339 CO -0.02 -1.04 1.09 0.20 -2.00 0.00 0.00 174.74 172.97 3ig4 s GLY 340 N -3.11 1.67 0.01 -1.38 0.00 -1.26 -4.98 107.32 98.27 3ig4 s GLY 340 Ca 0.27 0.24 0.22 0.00 0.00 0.00 0.00 44.72 45.45 3ig4 s GLY 340 CO 0.14 0.59 0.99 1.55 0.00 0.00 0.00 173.10 176.36 3ig4 n VAL 341 N -3.51 0.04 -3.80 1.40 3.14 -1.26 -4.88 118.33 109.46 3ig4 n VAL 341 Ca 0.09 -0.10 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 3ig4 n VAL 341 Cb 0.53 0.60 -0.09 0.00 -1.06 0.00 0.00 33.84 33.82 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 -3.34 -0.11 0.02 6.55 0.15 -1.26 -0.68 113.70 115.03 3ig4 s SER 342 Ca 0.06 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.48 3ig4 s SER 342 Cb 0.16 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3ig4 s SER 342 CO 0.83 -0.43 0.45 -1.38 1.20 0.00 0.00 173.24 173.90 3ig4 s HIS 343 N -1.43 -0.33 0.78 3.44 -3.43 -1.24 -4.92 115.29 108.16 3ig4 s HIS 343 Ca -0.13 0.40 -0.14 0.00 -0.80 0.00 0.00 55.06 54.39 3ig4 s HIS 343 Cb -0.06 0.24 0.07 0.00 -1.43 0.00 0.00 32.58 31.40 3ig4 s HIS 343 CO 0.03 -0.55 1.21 1.19 -2.00 0.00 0.00 174.74 174.62 3ig4 n PHE 344 N 0.71 1.37 -4.15 0.38 3.72 -1.26 -1.20 117.46 117.03 3ig4 n PHE 344 Ca -0.19 0.41 -0.15 0.00 -0.05 0.00 0.00 57.45 57.47 3ig4 n PHE 344 Cb 0.59 -2.13 -0.13 0.00 -0.94 0.00 0.00 39.48 36.86 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 -5.39 2.13 0.00 4.37 2.96 -0.96 -1.66 118.68 120.13 3ig4 s LEU 345 Ca 0.75 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 3ig4 s LEU 345 Cb -0.31 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.12 3ig4 s LEU 345 CO 0.49 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 176.08 3ig4 n GLY 346 N 2.24 -0.48 0.11 7.98 0.00 -1.26 -4.63 105.19 109.14 3ig4 n GLY 346 Ca -0.17 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3ig4 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ig4 n LEU 347 N 0.00 0.54 -4.12 0.99 4.77 -1.26 -1.65 117.00 116.26 3ig4 n LEU 347 Ca 0.00 0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 3ig4 n LEU 347 Cb 0.00 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 3ig4 n LEU 347 CO 0.00 -0.55 -0.47 -1.81 -1.33 0.00 0.00 177.39 173.24 3ig4 s ASP 348 N -4.00 1.66 0.11 -1.43 1.01 -1.26 -4.80 116.67 107.96 3ig4 s ASP 348 Ca 0.04 -0.35 -0.18 0.00 0.71 0.00 0.00 52.55 52.77 3ig4 s ASP 348 Cb 0.09 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.82 3ig4 s ASP 348 CO 0.35 0.11 1.67 0.74 0.21 0.00 0.00 175.17 178.25 3ig4 h THR 349 N 4.66 1.16 -2.74 -1.27 2.02 -1.86 -2.16 112.91 112.72 3ig4 h THR 349 Ca -0.36 -0.47 -0.77 0.00 0.77 0.00 0.00 66.41 65.58 3ig4 h THR 349 Cb 1.17 0.95 -0.22 0.00 -1.74 0.00 0.00 68.15 68.31 3ig4 h THR 349 CO 0.47 0.16 1.00 1.41 0.37 0.00 0.00 175.52 178.93 3ig4 n HIS 350 N -4.78 4.81 -0.63 3.16 8.25 -1.26 -4.42 115.22 120.35 3ig4 n HIS 350 Ca -0.02 -3.51 -0.31 0.00 -0.26 0.00 0.00 57.72 53.63 3ig4 n HIS 350 Cb 0.11 -1.92 0.19 0.00 1.12 0.00 0.00 29.99 29.50 3ig4 n HIS 350 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ig4 n ASP 351 N 4.03 -0.87 -4.67 0.41 2.03 -0.66 -4.96 116.55 111.86 3ig4 n ASP 351 Ca 0.31 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.52 3ig4 n ASP 351 Cb 0.40 -1.33 0.15 0.00 -0.72 0.00 0.00 41.12 39.62 3ig4 n ASP 351 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ig4 s VAL 352 N -2.50 1.97 0.00 5.18 -7.23 -1.26 -4.65 120.40 111.91 3ig4 s VAL 352 Ca 0.65 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 3ig4 s VAL 352 Cb -0.23 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.01 3ig4 s VAL 352 CO 0.62 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 3ig4 n GLY 353 N -2.03 3.55 3.79 2.32 0.00 -1.26 -4.71 105.19 106.85 3ig4 n GLY 353 Ca 0.07 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.21 3.66 -0.15 2.61 -4.23 -1.26 -4.97 115.64 110.10 3ig4 s THR 354 Ca 0.00 1.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.73 3ig4 s THR 354 Cb 0.00 -3.50 -0.17 0.00 1.34 0.00 0.00 72.50 70.18 3ig4 s THR 354 CO 0.00 -0.15 0.00 -1.22 -0.54 0.00 0.00 174.62 172.72 3ig4 n TYR 355 N -0.70 0.00 -1.70 3.99 4.02 -1.26 -4.76 117.16 116.74 3ig4 n TYR 355 Ca 0.08 0.00 -0.55 0.00 -0.01 0.00 0.00 57.90 57.42 3ig4 n TYR 355 Cb 0.51 -0.71 -0.07 0.00 -0.02 0.00 0.00 39.34 39.05 3ig4 n TYR 355 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3ig4 n LYS 356 N -2.64 1.39 -1.46 -0.72 3.00 -1.26 -0.75 118.16 115.71 3ig4 n LYS 356 Ca -0.26 0.51 -0.16 0.00 -0.00 0.00 0.00 58.31 58.40 3ig4 n LYS 356 Cb 0.95 -2.24 -0.07 0.00 0.00 0.00 0.00 35.03 33.67 3ig4 n LYS 356 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ig4 n ASP 357 N 5.80 -5.18 -4.73 3.14 8.00 -1.26 -4.92 116.55 117.40 3ig4 n ASP 357 Ca 0.26 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.74 3ig4 n ASP 357 Cb 0.17 -4.09 -0.03 0.00 -0.02 0.00 0.00 41.12 37.15 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 -3.32 4.36 -0.08 -1.24 6.06 0.07 -4.93 118.95 119.88 3ig4 s ARG 358 Ca 0.00 2.05 0.01 0.00 -2.50 0.00 0.00 55.73 55.29 3ig4 s ARG 358 Cb 0.00 -3.22 -0.02 0.00 0.06 0.00 0.00 34.95 31.77 3ig4 s ARG 358 CO 0.00 -0.32 -0.11 0.14 -2.50 0.00 0.00 175.30 172.51 3ig4 s VAL 359 N 0.50 3.34 0.73 7.11 -7.23 -1.26 0.00 120.40 123.60 3ig4 s VAL 359 Ca 0.60 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 60.01 3ig4 s VAL 359 Cb -0.36 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.26 3ig4 s VAL 359 CO 0.35 0.57 1.24 -0.76 -0.31 0.00 0.00 175.10 176.20 3ig4 s LEU 360 N -0.44 3.34 -0.01 1.32 1.02 0.43 -4.85 118.68 119.49 3ig4 s LEU 360 Ca 0.06 2.48 -0.24 0.00 0.02 0.00 0.00 54.13 56.44 3ig4 s LEU 360 Cb -0.12 -4.60 0.05 0.00 0.02 0.00 0.00 46.19 41.54 3ig4 s LEU 360 CO 0.02 -2.37 0.53 -1.61 0.02 0.00 0.00 176.35 172.95 3ig4 s GLU 361 N -3.80 0.95 0.07 1.70 2.02 -1.26 -2.02 118.70 116.36 3ig4 s GLU 361 Ca 0.77 -0.01 -0.37 0.00 0.02 0.00 0.00 54.97 55.38 3ig4 s GLU 361 Cb -0.33 0.44 -0.18 0.00 0.10 0.00 0.00 34.13 34.16 3ig4 s GLU 361 CO 0.46 -0.30 1.20 -1.91 0.02 0.00 0.00 175.26 174.72 3ig4 n GLU 362 N 0.85 0.70 0.00 1.61 2.13 -1.25 -4.77 120.64 119.91 3ig4 n GLU 362 Ca -0.19 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3ig4 n GLU 362 Cb 0.58 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.48 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 2.08 0.68 3.64 8.31 0.00 -0.57 -4.92 105.19 114.42 3ig4 n GLY 363 Ca 0.19 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.64 0.00 0.13 1.61 1.01 -1.26 -0.19 120.40 121.06 3ig4 s VAL 365 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3ig4 s VAL 365 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3ig4 s VAL 365 CO 0.00 0.00 0.18 0.27 0.00 0.00 0.00 175.10 175.55 3ig4 s ILE 366 N 1.29 0.10 0.22 2.22 -4.36 0.02 -2.26 121.20 118.42 3ig4 s ILE 366 Ca -0.07 -1.54 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3ig4 s ILE 366 Cb -0.05 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3ig4 s ILE 366 CO -0.15 -0.45 0.10 0.42 0.24 0.00 0.00 174.94 175.09 3ig4 s THR 367 N -3.97 4.07 -0.14 8.37 -4.23 -0.34 0.11 115.64 119.50 3ig4 s THR 367 Ca 0.17 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3ig4 s THR 367 Cb 0.05 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.80 3ig4 s THR 367 CO -0.02 -0.26 0.00 -0.63 -0.54 0.00 0.00 174.62 173.18 3ig4 s ILE 368 N -2.01 0.56 -0.39 2.99 -1.09 -0.60 -3.60 121.20 117.05 3ig4 s ILE 368 Ca 0.31 -0.28 0.09 0.00 -2.23 0.00 0.00 60.65 58.54 3ig4 s ILE 368 Cb -0.08 -0.86 0.29 0.00 -1.58 0.00 0.00 42.46 40.22 3ig4 s ILE 368 CO 0.22 0.05 0.66 -1.84 -1.23 0.00 0.00 174.94 172.80 3ig4 n GLU 369 N 5.06 0.82 -2.12 2.79 0.28 0.14 -1.71 120.64 125.91 3ig4 n GLU 369 Ca -0.09 -3.09 -0.37 0.00 -0.16 0.00 0.00 57.16 53.46 3ig4 n GLU 369 Cb 0.49 -1.40 0.01 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.40 3.38 0.15 3.44 0.04 -1.22 -4.75 135.00 134.63 3ig4 s PRO 370 Ca 0.36 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 3ig4 s PRO 370 Cb 0.24 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3ig4 s PRO 370 CO -0.11 -0.88 0.25 0.20 0.04 0.00 0.00 177.00 176.50 3ig4 s GLY 371 N -1.43 0.41 -0.05 0.56 0.00 -1.26 -2.32 107.32 103.23 3ig4 s GLY 371 Ca 0.70 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 44.60 3ig4 s GLY 371 CO 0.35 -0.85 -0.09 1.08 0.00 0.00 0.00 173.10 173.59 3ig4 s LEU 372 N -2.95 1.61 -0.24 0.66 1.43 0.75 -4.65 118.68 115.28 3ig4 s LEU 372 Ca 0.15 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3ig4 s LEU 372 Cb 0.04 -0.65 0.07 0.00 0.03 0.00 0.00 46.19 45.67 3ig4 s LEU 372 CO -0.03 0.02 -0.02 -0.31 0.23 0.00 0.00 176.35 176.24 3ig4 s TYR 373 N 0.57 2.28 -0.64 0.29 2.02 0.30 -0.94 117.35 121.24 3ig4 s TYR 373 Ca -0.10 -1.74 -0.04 0.00 -0.37 0.00 0.00 57.07 54.81 3ig4 s TYR 373 Cb -0.13 -1.62 0.16 0.00 -0.40 0.00 0.00 41.96 39.97 3ig4 s TYR 373 CO 0.02 -0.78 0.47 0.42 -1.57 0.00 0.00 175.55 174.11 3ig4 s ILE 374 N 1.43 3.94 0.14 2.71 1.01 0.23 -4.42 121.20 126.24 3ig4 s ILE 374 Ca -0.03 -2.83 -0.23 0.00 0.00 0.00 0.00 60.65 57.55 3ig4 s ILE 374 Cb -0.19 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3ig4 s ILE 374 CO -0.08 -0.89 1.64 -0.08 0.00 0.00 0.00 174.94 175.53 3ig4 h GLU 375 N 7.20 -0.27 0.00 2.79 4.81 -1.92 -1.95 114.58 125.24 3ig4 h GLU 375 Ca -0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ig4 h GLU 375 Cb 0.97 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 3ig4 h GLU 375 CO 0.72 -0.18 -0.01 1.05 -0.73 0.00 0.00 179.01 179.87 3ig4 h GLU 376 N -0.28 0.00 -0.03 1.92 9.09 -1.96 -1.04 114.58 122.28 3ig4 h GLU 376 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 3ig4 h GLU 376 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3ig4 h GLU 376 CO -0.30 0.01 -0.02 0.39 0.05 0.00 0.00 179.01 179.14 3ig4 n GLU 377 N -3.17 2.09 -3.78 1.06 1.02 -0.79 -4.98 120.64 112.09 3ig4 n GLU 377 Ca -0.02 -1.80 -0.25 0.00 -0.02 0.00 0.00 57.16 55.06 3ig4 n GLU 377 Cb 0.11 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 3ig4 n GLU 377 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ig4 n SER 378 N 1.21 -3.23 -3.99 1.62 7.64 -0.40 -4.97 113.62 111.50 3ig4 n SER 378 Ca 0.13 -0.77 -0.29 0.00 1.01 0.00 0.00 58.87 58.94 3ig4 n SER 378 Cb 0.56 -4.09 -0.17 0.00 -1.01 0.00 0.00 64.21 59.50 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 -3.47 1.43 -0.11 0.44 1.01 -1.06 -3.78 121.20 115.65 3ig4 s ILE 379 Ca 0.34 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3ig4 s ILE 379 Cb -0.17 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3ig4 s ILE 379 CO 0.81 0.43 -0.16 -0.83 0.00 0.00 0.00 174.94 175.20 3ig4 s GLY 380 N 1.51 1.06 -0.04 6.18 0.00 -1.26 -0.60 107.32 114.17 3ig4 s GLY 380 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.01 3ig4 s GLY 380 CO -0.09 0.20 -0.02 -0.42 0.00 0.00 0.00 173.10 172.76 3ig4 s ILE 381 N 0.95 0.39 -0.01 0.90 1.01 -0.11 -4.67 121.20 119.65 3ig4 s ILE 381 Ca -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3ig4 s ILE 381 Cb -0.15 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.87 3ig4 s ILE 381 CO -0.01 0.20 -0.02 -0.60 0.00 0.00 0.00 174.94 174.50 3ig4 s ARG 382 N 1.03 0.30 -0.10 2.79 3.52 -1.26 -0.18 118.95 125.05 3ig4 s ARG 382 Ca -0.10 -0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 3ig4 s ARG 382 Cb -0.14 -0.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.93 3ig4 s ARG 382 CO -0.01 0.01 -0.10 0.42 -0.81 0.00 0.00 175.30 174.81 3ig4 s ILE 383 N 0.26 1.12 -0.04 4.11 1.01 -0.98 -3.64 121.20 123.03 3ig4 s ILE 383 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3ig4 s ILE 383 Cb -0.05 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.36 3ig4 s ILE 383 CO -0.01 0.37 -0.04 -0.70 0.00 0.00 0.00 174.94 174.56 3ig4 s GLU 384 N 1.24 0.79 0.26 2.79 2.12 -0.49 -3.45 118.70 121.96 3ig4 s GLU 384 Ca -0.03 -0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.31 3ig4 s GLU 384 Cb -0.14 -0.82 -0.05 0.00 0.26 0.00 0.00 34.13 33.39 3ig4 s GLU 384 CO -0.03 -0.09 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.99 3ig4 s ASP 385 N 0.95 4.14 -0.42 -1.70 1.01 -0.69 -3.51 116.67 116.45 3ig4 s ASP 385 Ca -0.11 -0.77 -0.09 0.00 0.71 0.00 0.00 52.55 52.29 3ig4 s ASP 385 Cb -0.14 -0.62 0.08 0.00 1.01 0.00 0.00 42.92 43.25 3ig4 s ASP 385 CO -0.00 0.03 0.27 -1.81 0.21 0.00 0.00 175.17 173.87 3ig4 s ASP 386 N -3.46 5.65 -0.08 0.27 1.01 -1.26 -1.55 116.67 117.25 3ig4 s ASP 386 Ca 0.30 -1.54 -0.11 0.00 0.71 0.00 0.00 52.55 51.90 3ig4 s ASP 386 Cb -0.06 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 3ig4 s ASP 386 CO 0.17 -0.55 0.28 -0.63 0.21 0.00 0.00 175.17 174.65 3ig4 s ILE 387 N 1.42 5.27 -0.16 0.77 1.09 0.12 -1.20 121.20 128.51 3ig4 s ILE 387 Ca 0.03 0.53 -0.08 0.00 -1.10 0.00 0.00 60.65 60.03 3ig4 s ILE 387 Cb -0.23 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 3ig4 s ILE 387 CO 0.02 0.56 0.11 -0.22 -0.10 0.00 0.00 174.94 175.31 3ig4 s LEU 388 N -0.74 4.15 -0.19 2.97 2.96 -0.29 -0.80 118.68 126.73 3ig4 s LEU 388 Ca 0.19 0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 54.12 3ig4 s LEU 388 Cb -0.14 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 3ig4 s LEU 388 CO 0.08 0.27 0.82 -0.69 -1.32 0.00 0.00 176.35 175.51 3ig4 s VAL 389 N -0.19 4.88 0.00 1.68 1.01 -1.26 -0.43 120.40 126.08 3ig4 s VAL 389 Ca 0.10 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3ig4 s VAL 389 Cb -0.12 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3ig4 s VAL 389 CO 0.01 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.47 3ig4 n THR 390 N 4.84 0.00 0.16 3.92 -2.24 -0.52 -1.50 114.28 118.94 3ig4 n THR 390 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 3ig4 n THR 390 Cb 0.49 -1.01 0.17 0.00 -2.10 0.00 0.00 70.33 67.88 3ig4 n THR 390 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ig4 h LYS 391 N 0.00 0.00 0.00 -0.78 1.57 -1.96 -3.35 116.57 112.05 3ig4 h LYS 391 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ig4 h LYS 391 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3ig4 h LYS 391 CO 0.00 0.47 -0.01 -0.40 -0.57 0.00 0.00 179.45 178.95 3ig4 n ASP 392 N -3.39 0.88 0.00 0.86 5.75 -1.26 -4.74 116.55 114.66 3ig4 n ASP 392 Ca 0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3ig4 n ASP 392 Cb 0.63 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 -0.23 0.16 3.29 6.12 0.00 -1.26 -4.87 105.19 108.41 3ig4 n GLY 393 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 2.45 0.56 -0.09 1.61 -3.43 -1.24 -1.44 115.29 113.71 3ig4 s HIS 394 Ca 0.00 -0.92 -0.02 0.00 -0.80 0.00 0.00 55.06 53.32 3ig4 s HIS 394 Cb 0.00 -0.19 0.04 0.00 -1.43 0.00 0.00 32.58 31.00 3ig4 s HIS 394 CO 0.00 -0.67 0.02 -2.00 -2.00 0.00 0.00 174.74 170.09 3ig4 s GLU 395 N -4.00 0.49 -0.61 -0.38 2.12 0.43 -4.79 118.70 111.96 3ig4 s GLU 395 Ca 0.21 0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.31 3ig4 s GLU 395 Cb 0.04 -1.16 0.01 0.00 0.26 0.00 0.00 34.13 33.29 3ig4 s GLU 395 CO 0.02 -0.39 1.51 1.21 -0.54 0.00 0.00 175.26 177.07 3ig4 s ASN 396 N 1.99 5.90 0.53 -1.70 3.84 -1.26 -1.14 114.94 123.11 3ig4 s ASN 396 Ca 0.04 0.14 0.24 0.00 0.21 0.00 0.00 52.86 53.49 3ig4 s ASN 396 Cb -0.13 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.50 3ig4 s ASN 396 CO -0.06 -1.92 2.14 -0.07 -2.79 0.00 0.00 177.10 174.40 3ig4 h LEU 397 N 13.97 0.00 -4.02 3.21 3.38 -1.51 -2.78 115.31 127.56 3ig4 h LEU 397 Ca -0.27 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.09 3ig4 h LEU 397 Cb 1.10 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.48 3ig4 h LEU 397 CO 1.21 0.07 -0.18 -1.54 0.09 0.00 0.00 178.44 178.09 3ig4 n SER 398 N -3.99 5.89 0.18 -0.43 3.41 -1.25 -4.70 113.62 112.74 3ig4 n SER 398 Ca -0.03 -3.76 0.06 0.00 -0.26 0.00 0.00 58.87 54.88 3ig4 n SER 398 Cb 0.16 -0.59 0.26 0.00 -0.26 0.00 0.00 64.21 63.78 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 2.25 0.00 0.00 4.33 2.10 -1.86 -3.16 116.57 120.22 3ig4 h LYS 399 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3ig4 h LYS 399 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3ig4 h LYS 399 CO 1.06 0.36 0.00 -0.44 -2.00 0.00 0.00 179.45 178.43 3ig4 h ASP 400 N 0.00 0.00 -3.21 7.07 3.32 -1.87 -3.41 116.42 118.32 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 1.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 3ig4 h ASP 400 CO 0.05 0.00 0.90 -0.63 -1.72 0.00 0.00 179.24 177.83 3ig4 s ILE 401 N -3.57 4.36 0.27 0.35 1.01 -1.20 -4.98 121.20 117.44 3ig4 s ILE 401 Ca 0.01 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 3ig4 s ILE 401 Cb 0.09 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 3ig4 s ILE 401 CO 0.40 -0.44 1.43 0.27 0.00 0.00 0.00 174.94 176.60 3ig4 s ILE 402 N 3.89 2.58 0.00 2.92 -4.36 -1.26 -4.93 121.20 120.05 3ig4 s ILE 402 Ca 0.50 0.51 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 3ig4 s ILE 402 Cb -0.15 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.24 3ig4 s ILE 402 CO 0.18 0.09 0.00 0.54 0.24 0.00 0.00 174.94 175.99 3ig4 n ARG 403 N 1.94 3.01 -1.78 0.37 5.12 -1.26 -4.86 116.66 119.20 3ig4 n ARG 403 Ca 0.05 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.57 3ig4 n ARG 403 Cb 0.40 -0.89 0.01 0.00 -1.16 0.00 0.00 32.46 30.82 3ig4 n ARG 403 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ig4 s GLU 404 N -1.77 3.82 0.26 5.56 0.41 -1.26 -4.83 118.70 120.88 3ig4 s GLU 404 Ca 0.00 2.50 -0.02 0.00 -0.41 0.00 0.00 54.97 57.04 3ig4 s GLU 404 Cb 0.00 -2.76 0.51 0.00 -1.78 0.00 0.00 34.13 30.10 3ig4 s GLU 404 CO 0.00 -0.74 1.76 0.28 -0.49 0.00 0.00 175.26 176.07 3ig4 h VAL 405 N 2.53 0.73 -0.55 2.63 2.07 -1.99 -0.65 116.25 121.02 3ig4 h VAL 405 Ca -0.51 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ig4 h VAL 405 Cb 1.26 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ig4 h VAL 405 CO 0.62 0.11 0.22 -0.33 0.02 0.00 0.00 177.57 178.21 3ig4 h GLU 406 N 0.60 0.83 -0.52 1.57 3.07 -1.99 -1.85 114.58 116.29 3ig4 h GLU 406 Ca 0.45 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 3ig4 h GLU 406 Cb 0.63 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 3ig4 h GLU 406 CO -0.36 0.72 0.19 0.93 -1.40 0.00 0.00 179.01 179.10 3ig4 h GLU 407 N 0.75 0.79 0.72 2.33 5.08 -1.56 -0.27 114.58 122.42 3ig4 h GLU 407 Ca 0.18 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3ig4 h GLU 407 Cb 0.21 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ig4 h GLU 407 CO -0.01 0.70 -0.34 0.82 -1.00 0.00 0.00 179.01 179.17 3ig4 h ILE 408 N 0.70 0.17 -0.96 3.13 2.04 -1.11 0.43 117.51 121.91 3ig4 h ILE 408 Ca 0.17 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.96 3ig4 h ILE 408 Cb 0.22 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 3ig4 h ILE 408 CO -0.01 0.02 0.61 -0.33 0.00 0.00 0.00 178.15 178.43 3ig4 h GLU 409 N -1.14 0.83 -0.19 2.37 5.08 -1.29 -1.14 114.58 119.10 3ig4 h GLU 409 Ca -0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3ig4 h GLU 409 Cb 0.76 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ig4 h GLU 409 CO 0.16 0.55 -0.02 1.49 -1.00 0.00 0.00 179.01 180.19 3ig4 h GLU 410 N 0.85 0.34 -0.31 2.33 4.57 -0.99 -2.32 114.58 119.05 3ig4 h GLU 410 Ca 0.49 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3ig4 h GLU 410 Cb 0.64 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ig4 h GLU 410 CO -0.26 0.57 0.00 0.34 -1.18 0.00 0.00 179.01 178.49 3ig4 n PHE 411 N -4.68 0.00 0.00 0.92 7.35 0.13 -1.66 117.46 119.52 3ig4 n PHE 411 Ca -0.05 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3ig4 n PHE 411 Cb 0.25 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.06 3ig4 n PHE 411 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3ig4 n ARG 413 N 0.56 0.00 0.26 -4.13 0.63 -0.87 -1.26 116.66 111.85 3ig4 n ARG 413 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3ig4 n ARG 413 Cb 0.01 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.62 3ig4 n ARG 413 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3ig4 h GLU 414 N 0.00 0.00 0.00 -0.14 5.08 -1.60 -3.35 114.58 114.57 3ig4 h GLU 414 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ig4 h GLU 414 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ig4 h GLU 414 CO 0.00 0.08 -0.98 0.09 -1.00 0.00 0.00 179.01 177.20 3ig4 n ASN 415 N -4.07 4.90 -4.61 1.42 4.13 -0.39 -4.99 115.26 111.65 3ig4 n ASN 415 Ca -0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 3ig4 n ASN 415 Cb 0.16 0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 39.10 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 -2.48 6.75 0.33 6.41 3.84 -1.26 -4.82 114.94 123.70 3ig4 s ASN 416 Ca 0.00 0.69 0.08 0.00 0.21 0.00 0.00 52.86 53.84 3ig4 s ASN 416 Cb 0.00 -2.51 0.95 0.00 -0.55 0.00 0.00 41.25 39.13 3ig4 s ASN 416 CO 0.00 -0.98 1.57 0.58 -2.79 0.00 0.00 177.10 175.48 3ig4 h VAL 417 N 5.91 0.01 -1.75 -5.21 2.07 -1.91 -3.02 116.25 112.36 3ig4 h VAL 417 Ca -0.22 -0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.63 3ig4 h VAL 417 Cb 1.07 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 30.49 3ig4 h VAL 417 CO 1.04 0.00 0.06 -0.46 0.02 0.00 0.00 177.57 178.23 3ig4 n ASN 418 N -5.41 5.94 0.00 0.57 2.04 -1.26 -5.21 115.26 111.93 3ig4 n ASN 418 Ca 0.28 -3.77 0.00 0.00 -0.44 0.00 0.00 54.58 50.65 3ig4 n ASN 418 Cb 0.93 -0.73 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34