#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv4 s LEU -4 N 0.00 2.01 0.00 -4.53 1.43 -1.26 -4.99 118.68 111.34 3iv4 s LEU -4 Ca 0.00 1.33 0.17 0.00 -1.03 0.00 0.00 54.13 54.60 3iv4 s LEU -4 Cb 0.00 -3.66 0.27 0.00 0.03 0.00 0.00 46.19 42.82 3iv4 s LEU -4 CO 0.00 -2.78 1.18 -1.22 0.23 0.00 0.00 176.35 173.76 3iv4 n TYR -3 N -3.96 0.28 -4.03 0.29 4.02 -1.26 -5.00 117.16 107.49 3iv4 n TYR -3 Ca 0.06 -0.19 -0.31 0.00 -0.01 0.00 0.00 57.90 57.45 3iv4 n TYR -3 Cb 0.56 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.87 3iv4 n TYR -3 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3iv4 n PHE -2 N 1.00 -1.92 -1.91 -0.72 3.01 -1.26 -1.36 117.46 114.30 3iv4 n PHE -2 Ca 0.13 0.83 -0.18 0.00 1.01 0.00 0.00 57.45 59.24 3iv4 n PHE -2 Cb 0.46 -3.55 -0.05 0.00 -0.01 0.00 0.00 39.48 36.34 3iv4 n PHE -2 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3iv4 n GLN -1 N -4.48 -1.60 -3.36 -1.08 1.13 -1.26 -1.73 117.38 105.00 3iv4 n GLN -1 Ca -0.04 0.99 -0.24 0.00 -1.94 0.00 0.00 57.00 55.77 3iv4 n GLN -1 Cb 0.55 -5.46 0.02 0.00 0.11 0.00 0.00 30.24 25.46 3iv4 n GLN -1 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iv4 n GLY 0 N -0.61 -0.50 0.28 1.08 0.00 -0.46 -4.86 105.19 100.12 3iv4 n GLY 0 Ca -0.20 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3iv4 n GLY 0 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3iv4 h VAL 1 N -1.38 0.46 -3.63 1.61 -1.51 -1.53 -3.39 116.25 106.88 3iv4 h VAL 1 Ca -0.50 -0.33 -0.69 0.00 -1.23 0.00 0.00 66.70 63.96 3iv4 h VAL 1 Cb 1.33 1.22 -0.19 0.00 -2.13 0.00 0.00 31.29 31.53 3iv4 h VAL 1 CO 0.57 0.07 -0.39 0.00 -1.23 0.00 0.00 177.57 176.59 3iv4 s ALA 2 N -4.28 3.49 -0.17 5.19 0.00 -1.26 -0.26 121.76 124.48 3iv4 s ALA 2 Ca -0.03 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 3iv4 s ALA 2 Cb 0.13 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3iv4 s ALA 2 CO 0.55 -1.19 0.01 0.42 0.00 0.00 0.00 175.76 175.55 3iv4 s ILE 3 N 1.83 4.34 0.12 0.00 1.01 -0.00 -4.88 121.20 123.62 3iv4 s ILE 3 Ca 0.08 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 3iv4 s ILE 3 Cb -0.18 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 3iv4 s ILE 3 CO 0.11 0.48 1.20 -0.75 0.00 0.00 0.00 174.94 175.98 3iv4 s LYS 4 N 0.34 4.47 -0.12 2.79 2.20 -1.26 -1.07 119.74 127.08 3iv4 s LYS 4 Ca -0.00 1.82 -0.10 0.00 -0.36 0.00 0.00 55.97 57.32 3iv4 s LYS 4 Cb -0.13 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 3iv4 s LYS 4 CO 0.02 -0.16 0.22 -0.51 -0.36 0.00 0.00 175.35 174.55 3iv4 s LEU 5 N 0.41 4.35 0.00 5.43 1.43 0.11 -4.89 118.68 125.51 3iv4 s LEU 5 Ca 0.56 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3iv4 s LEU 5 Cb -0.31 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3iv4 s LEU 5 CO 0.33 0.30 0.59 -1.54 0.23 0.00 0.00 176.35 176.26 3iv4 n SER 6 N 2.51 1.17 -3.58 2.29 3.41 -1.26 -4.63 113.62 113.52 3iv4 n SER 6 Ca -0.17 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.10 3iv4 n SER 6 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3iv4 n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iv4 s SER 7 N -0.23 -0.32 0.24 4.04 1.04 -1.26 -5.00 113.70 112.22 3iv4 s SER 7 Ca 0.00 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 3iv4 s SER 7 Cb 0.00 0.50 0.30 0.00 0.10 0.00 0.00 66.02 66.92 3iv4 s SER 7 CO 0.00 -0.88 1.88 0.40 0.98 0.00 0.00 173.24 175.62 3iv4 h ILE 8 N 2.28 1.13 -0.44 -1.02 2.04 -1.93 -1.89 117.51 117.68 3iv4 h ILE 8 Ca -0.34 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.22 3iv4 h ILE 8 Cb 1.27 -0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3iv4 h ILE 8 CO 0.45 0.20 0.02 0.44 0.00 0.00 0.00 178.15 179.26 3iv4 h ASP 9 N 1.12 -0.14 -0.49 1.72 3.32 -1.99 -0.80 116.42 119.15 3iv4 h ASP 9 Ca 0.37 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 3iv4 h ASP 9 Cb 0.04 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3iv4 h ASP 9 CO -0.13 -0.03 0.17 1.56 -1.72 0.00 0.00 179.24 179.08 3iv4 h GLN 10 N 0.14 0.75 0.04 3.56 4.20 -1.89 -0.89 115.11 121.02 3iv4 h GLN 10 Ca 0.22 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3iv4 h GLN 10 Cb 0.31 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3iv4 h GLN 10 CO -0.35 0.70 -0.08 0.35 -0.67 0.00 0.00 178.83 178.78 3iv4 h PHE 11 N 0.66 -0.21 -0.55 2.96 3.57 -0.93 -0.93 116.94 121.51 3iv4 h PHE 11 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3iv4 h PHE 11 Cb 0.25 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3iv4 h PHE 11 CO 0.01 -0.13 0.25 0.93 -2.23 0.00 0.00 178.31 177.14 3iv4 h GLU 12 N -0.16 0.77 0.12 1.11 4.39 -1.09 -2.43 114.58 117.28 3iv4 h GLU 12 Ca 0.02 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3iv4 h GLU 12 Cb 0.18 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3iv4 h GLU 12 CO -0.05 0.61 -0.06 0.37 -1.16 0.00 0.00 179.01 178.72 3iv4 h GLN 13 N 0.77 -0.15 0.00 2.33 4.15 -0.67 -2.53 115.11 119.01 3iv4 h GLN 13 Ca 0.19 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 3iv4 h GLN 13 Cb 0.10 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3iv4 h GLN 13 CO -0.02 -0.09 -0.48 -0.39 -1.93 0.00 0.00 178.83 175.91 3iv4 h VAL 14 N -0.16 1.08 0.00 2.39 -1.51 -0.94 0.35 116.25 117.46 3iv4 h VAL 14 Ca -0.02 -1.83 -0.03 0.00 -1.23 0.00 0.00 66.70 63.60 3iv4 h VAL 14 Cb 0.13 2.07 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3iv4 h VAL 14 CO 0.03 0.47 -0.14 0.16 -1.23 0.00 0.00 177.57 176.86 3iv4 h ILE 15 N 0.00 0.24 0.08 7.19 3.07 -1.44 -2.40 117.51 124.25 3iv4 h ILE 15 Ca -0.00 -1.27 -0.15 0.00 1.55 0.00 0.00 64.86 64.98 3iv4 h ILE 15 Cb 1.03 2.06 0.02 0.00 -0.27 0.00 0.00 36.82 39.65 3iv4 h ILE 15 CO 0.06 0.13 -0.62 -0.08 -1.05 0.00 0.00 178.15 176.60 3iv4 h GLU 16 N 0.00 0.28 0.00 0.16 4.57 -1.06 -3.17 114.58 115.37 3iv4 h GLU 16 Ca -0.00 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.69 3iv4 h GLU 16 Cb 1.05 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3iv4 h GLU 16 CO 0.02 1.15 -0.39 0.93 -1.18 0.00 0.00 179.01 179.54 3iv4 h GLU 17 N -0.38 0.00 -5.27 1.92 5.08 -0.95 -3.43 114.58 111.54 3iv4 h GLU 17 Ca -0.10 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.60 3iv4 h GLU 17 Cb 1.42 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.38 3iv4 h GLU 17 CO 0.12 0.39 -0.79 -0.80 -1.00 0.00 0.00 179.01 176.92 3iv4 s ASN 18 N -6.37 3.77 0.23 1.42 0.01 -0.91 -5.01 114.94 108.08 3iv4 s ASN 18 Ca 0.03 -0.41 -0.05 0.00 -0.71 0.00 0.00 52.86 51.71 3iv4 s ASN 18 Cb 0.09 -1.57 0.24 0.00 0.41 0.00 0.00 41.25 40.41 3iv4 s ASN 18 CO 0.70 0.13 1.77 0.50 -1.51 0.00 0.00 177.10 178.70 3iv4 h LYS 19 N 6.94 1.03 -4.66 -0.60 3.64 -1.85 -3.41 116.57 117.65 3iv4 h LYS 19 Ca -0.27 -0.22 -0.61 0.00 -1.27 0.00 0.00 60.65 58.27 3iv4 h LYS 19 Cb 1.21 -0.15 -0.36 0.00 -0.41 0.00 0.00 32.23 32.52 3iv4 h LYS 19 CO 0.55 0.90 -0.83 0.71 -2.27 0.00 0.00 179.45 178.51 3iv4 s TYR 20 N -5.31 2.31 -0.14 1.91 2.02 -1.26 0.01 117.35 116.90 3iv4 s TYR 20 Ca -0.11 -1.39 -0.09 0.00 -0.37 0.00 0.00 57.07 55.11 3iv4 s TYR 20 Cb 0.15 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 40.12 3iv4 s TYR 20 CO 0.83 -0.71 0.34 0.54 -1.57 0.00 0.00 175.55 174.98 3iv4 s VAL 21 N 1.44 -0.02 -0.09 0.71 0.11 -0.30 -5.01 120.40 117.24 3iv4 s VAL 21 Ca 0.03 0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 3iv4 s VAL 21 Cb -0.14 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3iv4 s VAL 21 CO -0.10 0.04 0.22 -0.36 -3.33 0.00 0.00 175.10 171.57 3iv4 s PHE 22 N 1.06 3.64 -0.04 1.54 0.08 -1.26 -0.72 117.98 122.28 3iv4 s PHE 22 Ca -0.07 0.67 0.02 0.00 0.12 0.00 0.00 56.93 57.66 3iv4 s PHE 22 Cb -0.08 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3iv4 s PHE 22 CO -0.08 0.71 -0.08 0.08 -0.10 0.00 0.00 175.22 175.75 3iv4 s VAL 23 N -1.03 0.74 -0.15 -0.44 1.01 -0.31 -1.52 120.40 118.70 3iv4 s VAL 23 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3iv4 s VAL 23 Cb -0.13 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3iv4 s VAL 23 CO 0.07 0.26 -0.15 -0.22 0.00 0.00 0.00 175.10 175.06 3iv4 s LEU 24 N 0.67 2.51 -0.16 3.92 2.96 0.10 -0.68 118.68 128.01 3iv4 s LEU 24 Ca -0.11 -0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 3iv4 s LEU 24 Cb -0.13 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3iv4 s LEU 24 CO 0.01 0.09 0.98 -0.54 -1.32 0.00 0.00 176.35 175.57 3iv4 s LYS 25 N 0.79 4.34 -0.03 1.98 1.02 0.67 -1.21 119.74 127.29 3iv4 s LYS 25 Ca -0.06 1.30 0.05 0.00 0.02 0.00 0.00 55.97 57.29 3iv4 s LYS 25 Cb -0.15 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 3iv4 s LYS 25 CO 0.00 -0.42 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.25 3iv4 s HIS 26 N 2.42 1.79 -0.41 3.18 5.65 -0.18 -2.00 115.29 125.74 3iv4 s HIS 26 Ca 0.45 -0.43 -0.13 0.00 0.25 0.00 0.00 55.06 55.20 3iv4 s HIS 26 Cb -0.17 -1.18 0.04 0.00 -1.18 0.00 0.00 32.58 30.10 3iv4 s HIS 26 CO 0.13 -0.10 0.28 0.45 -0.65 0.00 0.00 174.74 174.84 3iv4 s SER 27 N -0.22 5.90 0.57 9.88 0.15 -1.26 -0.81 113.70 127.90 3iv4 s SER 27 Ca 0.02 -1.14 -0.21 0.00 0.70 0.00 0.00 55.95 55.32 3iv4 s SER 27 Cb -0.10 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 3iv4 s SER 27 CO 0.01 -0.49 1.28 -0.62 1.20 0.00 0.00 173.24 174.62 3iv4 n GLU 28 N 5.07 1.47 -2.22 5.44 1.02 -1.26 -3.38 120.64 126.78 3iv4 n GLU 28 Ca -0.11 0.55 -0.07 0.00 -0.02 0.00 0.00 57.16 57.50 3iv4 n GLU 28 Cb 0.45 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3iv4 n GLU 28 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3iv4 n THR 29 N -1.26 -0.41 -3.70 2.62 -1.04 -1.26 -5.01 114.28 104.22 3iv4 n THR 29 Ca 0.12 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.98 3iv4 n THR 29 Cb 0.45 -1.45 -0.15 0.00 -1.82 0.00 0.00 70.33 67.37 3iv4 n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iv4 h PRO 31 N 7.79 0.52 -0.51 0.00 0.11 -1.95 0.75 132.00 138.71 3iv4 h PRO 31 Ca -0.28 -0.24 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3iv4 h PRO 31 Cb 1.13 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3iv4 h PRO 31 CO 0.28 0.80 0.08 0.82 -0.21 0.00 0.00 178.00 179.77 3iv4 h ILE 32 N 0.44 1.25 -0.50 4.15 2.04 -1.97 -0.67 117.51 122.24 3iv4 h ILE 32 Ca 0.05 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3iv4 h ILE 32 Cb 0.83 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3iv4 h ILE 32 CO 0.07 0.34 0.07 -1.28 0.00 0.00 0.00 178.15 177.35 3iv4 h SER 33 N 0.73 0.81 -0.95 1.72 0.87 -1.74 -1.93 113.55 113.06 3iv4 h SER 33 Ca 0.16 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3iv4 h SER 33 Cb 0.40 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3iv4 h SER 33 CO 0.01 0.87 0.63 0.00 -0.53 0.00 0.00 176.83 177.81 3iv4 h ALA 34 N 0.97 1.34 -0.43 6.23 0.00 -0.63 0.13 119.26 126.87 3iv4 h ALA 34 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iv4 h ALA 34 Cb 0.42 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3iv4 h ALA 34 CO 0.01 0.60 0.26 -0.91 0.00 0.00 0.00 179.25 179.21 3iv4 h ASN 35 N 1.26 0.52 -0.67 0.00 2.35 -0.90 -0.63 115.58 117.52 3iv4 h ASN 35 Ca 0.35 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 3iv4 h ASN 35 Cb -0.11 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3iv4 h ASN 35 CO -0.08 0.43 0.34 0.00 -1.65 0.00 0.00 177.43 176.46 3iv4 h ALA 36 N 1.12 0.86 -0.67 -0.83 0.00 -0.75 -1.47 119.26 117.51 3iv4 h ALA 36 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iv4 h ALA 36 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iv4 h ALA 36 CO -0.03 0.40 0.37 -0.92 0.00 0.00 0.00 179.25 179.07 3iv4 h TYR 37 N 0.92 0.92 -0.39 0.00 3.20 -0.55 0.51 116.97 121.59 3iv4 h TYR 37 Ca 0.23 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3iv4 h TYR 37 Cb 0.08 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3iv4 h TYR 37 CO -0.00 0.66 0.24 0.22 -1.64 0.00 0.00 178.16 177.63 3iv4 h ASP 38 N 0.92 0.39 -0.77 -2.11 -0.00 -0.88 0.56 116.42 114.54 3iv4 h ASP 38 Ca 0.24 0.00 0.03 0.00 -0.00 0.00 0.00 57.03 57.29 3iv4 h ASP 38 Cb 0.04 -0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.24 3iv4 h ASP 38 CO -0.04 0.28 0.49 1.56 -0.00 0.00 0.00 179.24 181.53 3iv4 h GLN 39 N 0.48 0.94 0.12 0.28 1.08 -0.89 -0.45 115.11 116.66 3iv4 h GLN 39 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3iv4 h GLN 39 Cb -0.01 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 3iv4 h GLN 39 CO -0.06 0.62 -0.06 0.35 -0.95 0.00 0.00 178.83 178.73 3iv4 h PHE 40 N 0.97 -0.15 -0.04 2.96 3.57 -0.49 -0.10 116.94 123.66 3iv4 h PHE 40 Ca 0.30 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3iv4 h PHE 40 Cb -0.02 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3iv4 h PHE 40 CO -0.03 -0.07 -0.23 -0.91 -2.23 0.00 0.00 178.31 174.84 3iv4 h ASN 41 N -0.19 -0.70 -0.72 0.41 2.35 -0.69 -1.05 115.58 114.99 3iv4 h ASN 41 Ca -0.02 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 3iv4 h ASN 41 Cb 0.15 0.30 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 3iv4 h ASN 41 CO 0.03 -0.30 0.42 0.11 -1.65 0.00 0.00 177.43 176.04 3iv4 h LYS 42 N -0.35 0.77 0.10 0.81 1.57 -0.78 0.89 116.57 119.59 3iv4 h LYS 42 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3iv4 h LYS 42 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3iv4 h LYS 42 CO -0.24 0.51 -0.05 0.35 -0.57 0.00 0.00 179.45 179.45 3iv4 h PHE 43 N 0.79 -0.13 -0.65 -1.35 3.57 -0.82 -1.71 116.94 116.64 3iv4 h PHE 43 Ca 0.31 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3iv4 h PHE 43 Cb 0.14 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3iv4 h PHE 43 CO -0.06 0.09 0.27 -0.07 -2.23 0.00 0.00 178.31 176.31 3iv4 h LEU 44 N -0.33 0.89 -0.56 0.59 3.38 -0.68 -1.10 115.31 117.50 3iv4 h LEU 44 Ca -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3iv4 h LEU 44 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3iv4 h LEU 44 CO 0.02 0.82 0.34 0.22 0.09 0.00 0.00 178.44 179.93 3iv4 h TYR 45 N 0.92 0.73 -0.29 1.13 3.20 -0.84 -0.25 116.97 121.56 3iv4 h TYR 45 Ca 0.22 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 3iv4 h TYR 45 Cb 0.20 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3iv4 h TYR 45 CO 0.01 0.49 -0.09 1.49 -1.64 0.00 0.00 178.16 178.42 3iv4 h GLU 46 N 0.75 0.47 -0.01 1.82 4.57 -1.03 -2.26 114.58 118.90 3iv4 h GLU 46 Ca 0.20 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3iv4 h GLU 46 Cb -0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3iv4 h GLU 46 CO -0.04 0.57 -0.07 0.54 -1.18 0.00 0.00 179.01 178.83 3iv4 n ARG 47 N -4.23 0.95 -3.30 1.92 5.12 -0.44 -5.11 116.66 111.57 3iv4 n ARG 47 Ca 0.01 -0.34 -0.10 0.00 -1.93 0.00 0.00 57.85 55.49 3iv4 n ARG 47 Cb 0.29 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.11 3iv4 n ARG 47 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3iv4 n ASP 48 N -0.72 -6.82 -4.26 0.55 8.00 -0.15 -5.05 116.55 108.10 3iv4 n ASP 48 Ca 0.17 -0.41 -0.26 0.00 0.71 0.00 0.00 54.79 55.00 3iv4 n ASP 48 Cb 0.26 -4.30 -0.14 0.00 -0.02 0.00 0.00 41.12 36.92 3iv4 n ASP 48 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3iv4 s ASP 50 N -3.07 2.52 0.34 -2.24 1.01 -1.26 -5.05 116.67 108.92 3iv4 s ASP 50 Ca 0.08 -0.52 0.06 0.00 0.71 0.00 0.00 52.55 52.88 3iv4 s ASP 50 Cb -0.02 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.67 3iv4 s ASP 50 CO 0.79 0.17 0.21 0.61 0.21 0.00 0.00 175.17 177.17 3iv4 n GLY 51 N 1.88 3.10 3.17 0.21 0.00 0.64 -4.72 105.19 109.48 3iv4 n GLY 51 Ca -0.17 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 3iv4 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iv4 s TYR 52 N -3.16 1.11 0.12 1.61 2.02 -0.57 -0.82 117.35 117.65 3iv4 s TYR 52 Ca 0.30 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3iv4 s TYR 52 Cb 0.01 -0.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.94 3iv4 s TYR 52 CO 0.21 0.03 0.15 1.52 -1.57 0.00 0.00 175.55 175.89 3iv4 s TYR 53 N -1.88 0.52 0.04 2.71 -0.85 -0.23 -0.72 117.35 116.94 3iv4 s TYR 53 Ca 0.01 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.66 3iv4 s TYR 53 Cb -0.06 -0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.01 3iv4 s TYR 53 CO 0.01 -0.57 -0.08 -0.48 -1.52 0.00 0.00 175.55 172.91 3iv4 s LEU 54 N -2.97 2.24 -0.43 -3.49 2.34 -0.35 0.04 118.68 116.06 3iv4 s LEU 54 Ca 0.16 -0.53 -0.22 0.00 0.06 0.00 0.00 54.13 53.60 3iv4 s LEU 54 Cb 0.06 -0.18 0.02 0.00 -0.56 0.00 0.00 46.19 45.53 3iv4 s LEU 54 CO -0.03 -0.19 0.71 -0.63 -1.06 0.00 0.00 176.35 175.15 3iv4 s ILE 55 N -1.31 4.76 0.34 1.48 -1.09 -1.26 -1.01 121.20 123.11 3iv4 s ILE 55 Ca -0.09 0.35 0.18 0.00 -2.23 0.00 0.00 60.65 58.86 3iv4 s ILE 55 Cb -0.10 -4.24 0.16 0.00 -1.58 0.00 0.00 42.46 36.71 3iv4 s ILE 55 CO 0.00 -0.60 1.88 -0.37 -1.23 0.00 0.00 174.94 174.62 3iv4 h VAL 56 N 5.89 0.98 0.00 2.92 -1.51 -1.30 -1.43 116.25 121.80 3iv4 h VAL 56 Ca -0.25 -1.09 -0.03 0.00 -1.23 0.00 0.00 66.70 64.10 3iv4 h VAL 56 Cb 1.09 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 3iv4 h VAL 56 CO 0.91 0.29 -0.14 1.56 -1.23 0.00 0.00 177.57 178.96 3iv4 h GLN 57 N 0.00 0.00 0.00 5.19 7.50 -1.93 -3.26 115.11 122.61 3iv4 h GLN 57 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3iv4 h GLN 57 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.13 3iv4 h GLN 57 CO 0.04 0.14 -1.63 1.04 -1.50 0.00 0.00 178.83 176.91 3iv4 n GLN 58 N -3.74 0.61 -3.13 1.46 1.13 -0.62 -4.69 117.38 108.39 3iv4 n GLN 58 Ca -0.02 -0.13 -0.21 0.00 -1.94 0.00 0.00 57.00 54.70 3iv4 n GLN 58 Cb 0.25 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.20 3iv4 n GLN 58 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3iv4 n GLU 59 N -1.99 1.55 -0.15 -1.09 -0.58 -0.73 -4.94 120.64 112.71 3iv4 n GLU 59 Ca -0.02 -3.76 0.01 0.00 -0.42 0.00 0.00 57.16 52.96 3iv4 n GLU 59 Cb 0.40 -1.83 0.28 0.00 -0.57 0.00 0.00 31.44 29.71 3iv4 n GLU 59 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3iv4 h ARG 60 N 3.04 0.86 -0.02 3.49 9.65 -1.84 -0.55 114.38 129.01 3iv4 h ARG 60 Ca 0.11 -0.07 -0.20 0.00 -1.10 0.00 0.00 59.98 58.71 3iv4 h ARG 60 Cb 0.85 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3iv4 h ARG 60 CO 0.58 0.60 -0.86 0.38 2.80 0.00 0.00 179.97 183.48 3iv4 h ASP 61 N 0.88 0.44 -0.43 -3.80 3.04 -1.92 -1.03 116.42 113.61 3iv4 h ASP 61 Ca 0.23 -0.33 -0.09 0.00 -3.24 0.00 0.00 57.03 53.60 3iv4 h ASP 61 Cb -0.04 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.10 3iv4 h ASP 61 CO -0.04 1.11 -0.08 0.25 -2.04 0.00 0.00 179.24 178.44 3iv4 h LEU 62 N 0.21 0.82 -0.46 0.15 5.85 -1.86 -1.22 115.31 118.80 3iv4 h LEU 62 Ca -0.05 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3iv4 h LEU 62 Cb 1.47 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3iv4 h LEU 62 CO 0.14 0.98 0.29 -1.28 -0.34 0.00 0.00 178.44 178.23 3iv4 h SER 63 N 0.64 0.49 -0.31 1.25 0.87 -1.02 -0.44 113.55 115.04 3iv4 h SER 63 Ca 0.11 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3iv4 h SER 63 Cb 0.60 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3iv4 h SER 63 CO 0.04 0.35 0.11 0.44 -0.53 0.00 0.00 176.83 177.24 3iv4 h ASP 64 N 0.59 0.13 -0.66 6.23 3.32 -1.19 -2.44 116.42 122.40 3iv4 h ASP 64 Ca 0.18 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.31 3iv4 h ASP 64 Cb -0.03 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3iv4 h ASP 64 CO -0.06 0.11 0.37 0.22 -1.72 0.00 0.00 179.24 178.17 3iv4 h TYR 65 N 0.25 0.69 -0.51 4.55 3.20 -0.64 -1.18 116.97 123.33 3iv4 h TYR 65 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3iv4 h TYR 65 Cb 0.10 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3iv4 h TYR 65 CO -0.13 0.34 0.05 0.82 -1.64 0.00 0.00 178.16 177.60 3iv4 h ILE 66 N 0.70 1.24 -0.80 1.81 2.04 -0.87 0.16 117.51 121.78 3iv4 h ILE 66 Ca 0.29 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3iv4 h ILE 66 Cb 0.15 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3iv4 h ILE 66 CO -0.16 0.34 0.50 0.00 0.00 0.00 0.00 178.15 178.83 3iv4 h ALA 67 N 1.27 1.02 -0.05 1.87 0.00 -0.87 -2.34 119.26 120.17 3iv4 h ALA 67 Ca 0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3iv4 h ALA 67 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iv4 h ALA 67 CO 0.01 0.46 -0.74 0.87 0.00 0.00 0.00 179.25 179.86 3iv4 h LYS 68 N 1.09 0.29 -0.38 0.00 1.57 -0.72 0.18 116.57 118.61 3iv4 h LYS 68 Ca 0.29 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3iv4 h LYS 68 Cb -0.07 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3iv4 h LYS 68 CO -0.06 0.91 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.37 3iv4 h LYS 69 N 0.20 0.69 -0.00 3.15 3.64 -0.78 -3.24 116.57 120.22 3iv4 h LYS 69 Ca -0.03 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3iv4 h LYS 69 Cb 1.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3iv4 h LYS 69 CO 0.12 0.80 -0.83 0.25 -2.27 0.00 0.00 179.45 177.52 3iv4 n THR 70 N -4.16 0.00 -2.64 1.00 -2.24 -0.90 -4.97 114.28 100.38 3iv4 n THR 70 Ca 0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3iv4 n THR 70 Cb 0.37 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3iv4 n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iv4 n ASN 71 N -1.29 -3.96 -4.36 3.42 5.15 0.03 -4.98 115.26 109.27 3iv4 n ASN 71 Ca 0.04 0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.73 3iv4 n ASN 71 Cb 0.30 -3.34 -0.13 0.00 -0.53 0.00 0.00 39.78 36.08 3iv4 n ASN 71 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iv4 s VAL 72 N -2.70 3.71 0.50 3.44 1.01 -1.07 -5.04 120.40 120.26 3iv4 s VAL 72 Ca 0.09 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 3iv4 s VAL 72 Cb -0.05 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 3iv4 s VAL 72 CO 0.11 0.39 1.31 -0.54 0.00 0.00 0.00 175.10 176.37 3iv4 s LYS 73 N 1.52 3.44 0.26 2.72 -0.14 -1.26 -4.44 119.74 121.84 3iv4 s LYS 73 Ca 0.06 2.12 -0.31 0.00 -1.36 0.00 0.00 55.97 56.48 3iv4 s LYS 73 Cb -0.15 -2.39 -0.12 0.00 -1.68 0.00 0.00 37.83 33.49 3iv4 s LYS 73 CO -0.01 -0.91 1.58 1.58 -0.76 0.00 0.00 175.35 176.83 3iv4 n HIS 74 N -0.68 2.66 -4.18 3.18 -0.00 -1.26 -5.02 115.22 109.91 3iv4 n HIS 74 Ca 0.08 0.26 -0.11 0.00 -0.00 0.00 0.00 57.72 57.95 3iv4 n HIS 74 Cb 0.45 -2.58 -0.10 0.00 -0.00 0.00 0.00 29.99 27.76 3iv4 n HIS 74 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3iv4 s GLU 75 N -0.12 0.95 -0.07 1.57 0.41 -1.26 -5.16 118.70 115.03 3iv4 s GLU 75 Ca 0.68 -1.44 -0.03 0.00 -0.41 0.00 0.00 54.97 53.76 3iv4 s GLU 75 Cb -0.54 -0.02 0.04 0.00 -1.78 0.00 0.00 34.13 31.83 3iv4 s GLU 75 CO 0.45 -0.16 0.16 0.45 -0.49 0.00 0.00 175.26 175.66 3iv4 s SER 76 N -3.08 -0.13 0.60 -0.19 0.15 -1.26 -4.03 113.70 105.76 3iv4 s SER 76 Ca 0.21 0.32 -0.15 0.00 0.70 0.00 0.00 55.95 57.02 3iv4 s SER 76 Cb 0.07 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 3iv4 s SER 76 CO 0.01 -0.14 1.05 -2.16 1.20 0.00 0.00 173.24 173.20 3iv4 s PRO 77 N 1.10 3.31 -0.16 5.44 0.04 -1.26 -4.78 135.00 138.69 3iv4 s PRO 77 Ca -0.08 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 3iv4 s PRO 77 Cb -0.11 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.46 3iv4 s PRO 77 CO -0.06 -0.82 0.37 -1.14 0.04 0.00 0.00 177.00 175.40 3iv4 s GLN 78 N -4.16 0.34 0.06 4.56 0.74 -0.85 -1.39 119.66 118.97 3iv4 s GLN 78 Ca 0.63 0.75 0.09 0.00 0.05 0.00 0.00 55.36 56.88 3iv4 s GLN 78 Cb -0.16 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.90 3iv4 s GLN 78 CO 0.38 -0.17 -0.23 0.00 -0.55 0.00 0.00 175.29 174.72 3iv4 s ALA 79 N 1.49 2.41 0.06 1.58 0.00 0.65 -0.24 121.76 127.71 3iv4 s ALA 79 Ca -0.09 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.64 3iv4 s ALA 79 Cb -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3iv4 s ALA 79 CO -0.12 0.55 -0.13 -0.06 0.00 0.00 0.00 175.76 176.00 3iv4 s PHE 80 N -0.90 1.12 -0.14 0.00 0.08 0.15 -1.62 117.98 116.66 3iv4 s PHE 80 Ca 0.13 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.75 3iv4 s PHE 80 Cb -0.10 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3iv4 s PHE 80 CO 0.04 0.03 -0.17 -0.47 -0.10 0.00 0.00 175.22 174.55 3iv4 s TYR 81 N -1.21 2.34 -0.15 0.36 5.04 -0.55 -1.16 117.35 122.01 3iv4 s TYR 81 Ca -0.03 -1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 53.31 3iv4 s TYR 81 Cb -0.10 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 3iv4 s TYR 81 CO 0.02 -0.64 -0.05 -0.06 -1.34 0.00 0.00 175.55 173.47 3iv4 s PHE 82 N 1.20 2.99 -0.19 4.97 0.08 0.11 -0.90 117.98 126.24 3iv4 s PHE 82 Ca -0.00 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.71 3iv4 s PHE 82 Cb -0.14 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3iv4 s PHE 82 CO -0.07 -0.06 -0.18 0.08 -0.10 0.00 0.00 175.22 174.89 3iv4 s VAL 83 N 0.34 2.21 -1.60 -0.44 1.01 -0.23 -1.15 120.40 120.54 3iv4 s VAL 83 Ca -0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 3iv4 s VAL 83 Cb -0.14 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.38 3iv4 s VAL 83 CO 0.03 0.50 0.58 0.59 0.00 0.00 0.00 175.10 176.81 3iv4 n ASN 84 N 4.63 -1.83 0.00 3.32 4.13 0.10 -1.96 115.26 123.65 3iv4 n ASN 84 Ca -0.20 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.01 3iv4 n ASN 84 Cb 0.50 -2.69 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 3iv4 n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iv4 n GLY 85 N -1.70 0.83 0.00 7.41 0.00 -1.20 -5.02 105.19 105.52 3iv4 n GLY 85 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3iv4 n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iv4 n GLU 86 N -2.17 0.00 0.00 1.61 1.02 -0.83 -5.02 120.64 115.26 3iv4 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3iv4 n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3iv4 n GLU 86 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3iv4 n VAL 88 N 0.00 0.00 -3.58 2.62 0.24 -0.08 -1.06 118.33 116.47 3iv4 n VAL 88 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3iv4 n VAL 88 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3iv4 n VAL 88 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3iv4 s TRP 89 N 0.00 -0.57 0.06 6.34 -0.00 -1.22 -5.01 118.94 118.54 3iv4 s TRP 89 Ca 0.00 1.14 -0.12 0.00 -0.00 0.00 0.00 56.10 57.13 3iv4 s TRP 89 Cb 0.00 0.39 0.01 0.00 -0.00 0.00 0.00 33.47 33.87 3iv4 s TRP 89 CO 0.00 -0.42 0.25 0.54 -0.00 0.00 0.00 176.95 177.33 3iv4 s ASN 90 N -0.61 -0.03 0.10 5.86 2.20 -1.26 -1.49 114.94 119.72 3iv4 s ASN 90 Ca -0.04 -0.35 -0.10 0.00 -0.94 0.00 0.00 52.86 51.43 3iv4 s ASN 90 Cb -0.02 0.34 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 3iv4 s ASN 90 CO 0.03 -0.64 0.24 -0.13 -2.94 0.00 0.00 177.10 173.65 3iv4 s ARG 91 N -2.95 0.92 0.17 3.55 1.81 -0.64 -4.99 118.95 116.82 3iv4 s ARG 91 Ca -0.02 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3iv4 s ARG 91 Cb 0.01 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 3iv4 s ARG 91 CO -0.06 -0.31 0.05 0.16 -0.68 0.00 0.00 175.30 174.46 3iv4 s ASP 92 N -2.86 0.71 0.63 0.23 1.47 -1.26 -0.25 116.67 115.33 3iv4 s ASP 92 Ca 0.06 -1.25 0.00 0.00 1.18 0.00 0.00 52.55 52.54 3iv4 s ASP 92 Cb 0.04 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.85 3iv4 s ASP 92 CO -0.10 -0.69 0.00 1.41 0.68 0.00 0.00 175.17 176.47 3iv4 n HIS 93 N -0.22 0.00 0.24 2.11 8.25 -0.48 -1.93 115.22 123.19 3iv4 n HIS 93 Ca -0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.47 3iv4 n HIS 93 Cb 0.64 0.02 0.25 0.00 1.12 0.00 0.00 29.99 32.02 3iv4 n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iv4 n GLY 94 N 0.00 -0.82 0.00 -1.41 0.00 -1.26 -1.86 105.19 99.84 3iv4 n GLY 94 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3iv4 n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iv4 n ASP 95 N -1.69 0.00 -4.50 1.61 8.00 -0.81 -4.48 116.55 114.67 3iv4 n ASP 95 Ca 0.01 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.16 3iv4 n ASP 95 Cb 0.09 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 3iv4 n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iv4 s ILE 96 N -2.65 4.52 0.25 0.53 1.01 -0.78 -4.70 121.20 119.38 3iv4 s ILE 96 Ca 0.19 0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 3iv4 s ILE 96 Cb 0.14 -4.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 3iv4 s ILE 96 CO 0.34 -1.03 0.49 0.54 0.00 0.00 0.00 174.94 175.28 3iv4 s ASN 97 N 2.80 -0.08 0.20 3.58 2.20 -1.26 -4.66 114.94 117.73 3iv4 s ASN 97 Ca 0.26 -0.93 -0.10 0.00 -0.94 0.00 0.00 52.86 51.15 3iv4 s ASN 97 Cb -0.14 0.60 0.23 0.00 -2.00 0.00 0.00 41.25 39.93 3iv4 s ASN 97 CO 0.17 -1.16 1.78 -0.37 -2.94 0.00 0.00 177.10 174.58 3iv4 h VAL 98 N 2.24 0.89 -0.50 3.54 -1.51 -1.95 -0.91 116.25 118.04 3iv4 h VAL 98 Ca -0.26 -0.18 0.07 0.00 -1.23 0.00 0.00 66.70 65.10 3iv4 h VAL 98 Cb 1.25 0.32 -0.06 0.00 -2.13 0.00 0.00 31.29 30.67 3iv4 h VAL 98 CO 0.35 0.10 0.17 0.28 -1.23 0.00 0.00 177.57 177.23 3iv4 h SER 99 N 0.52 0.16 0.02 4.19 0.02 -1.96 -0.44 113.55 116.06 3iv4 h SER 99 Ca 0.28 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 61.10 3iv4 h SER 99 Cb 0.25 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3iv4 h SER 99 CO -0.22 0.12 -0.72 0.77 -1.14 0.00 0.00 176.83 175.63 3iv4 h SER 100 N 0.34 0.74 -0.82 3.07 4.64 -1.65 -1.37 113.55 118.49 3iv4 h SER 100 Ca 0.24 -0.47 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3iv4 h SER 100 Cb 0.26 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3iv4 h SER 100 CO -0.25 1.24 0.51 -0.07 -0.87 0.00 0.00 176.83 177.38 3iv4 h LEU 101 N 0.44 0.97 -0.73 5.97 3.38 -1.02 -1.48 115.31 122.84 3iv4 h LEU 101 Ca -0.03 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3iv4 h LEU 101 Cb 1.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3iv4 h LEU 101 CO 0.14 0.74 0.08 0.00 0.09 0.00 0.00 178.44 179.49 3iv4 h ALA 102 N 1.28 0.95 -0.20 1.53 0.00 -0.85 -2.60 119.26 119.36 3iv4 h ALA 102 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iv4 h ALA 102 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iv4 h ALA 102 CO -0.06 0.65 -0.03 1.96 0.00 0.00 0.00 179.25 181.77 3iv4 h GLN 103 N 0.98 0.30 -0.24 0.00 4.20 -0.88 -2.48 115.11 116.99 3iv4 h GLN 103 Ca 0.19 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3iv4 h GLN 103 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3iv4 h GLN 103 CO 0.02 0.36 0.17 0.00 -0.67 0.00 0.00 178.83 178.70 3iv4 h ALA 104 N 1.68 2.12 0.00 3.87 0.00 -0.87 -2.21 119.26 123.85 3iv4 h ALA 104 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iv4 h ALA 104 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iv4 h ALA 104 CO 0.01 -0.17 -0.03 0.93 0.00 0.00 0.00 179.25 179.99 3iv4 h GLU 105 N 0.09 0.00 0.00 0.00 5.08 -1.48 -3.48 114.58 114.79 3iv4 h GLU 105 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3iv4 h GLU 105 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iv4 h GLU 105 CO -0.01 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.39