#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv6 s ILE 3 N 0.00 5.34 -0.36 2.28 1.09 -1.26 -4.98 121.20 123.31 3iv6 s ILE 3 Ca 0.00 0.27 0.08 0.00 -1.10 0.00 0.00 60.65 59.90 3iv6 s ILE 3 Cb 0.00 -3.53 0.45 0.00 -1.06 0.00 0.00 42.46 38.31 3iv6 s ILE 3 CO 0.00 0.34 1.13 0.35 -0.10 0.00 0.00 174.94 176.66 3iv6 n THR 4 N 4.19 2.23 -4.05 2.92 -2.24 -1.26 -5.02 114.28 111.05 3iv6 n THR 4 Ca -0.14 -4.35 -0.30 0.00 -2.27 0.00 0.00 64.05 56.99 3iv6 n THR 4 Cb 0.52 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.72 3iv6 n THR 4 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3iv6 s ASN 5 N -3.55 2.64 0.38 3.42 3.84 -1.26 -4.99 114.94 115.42 3iv6 s ASN 5 Ca 0.46 -0.47 0.28 0.00 0.21 0.00 0.00 52.86 53.33 3iv6 s ASN 5 Cb 0.40 -1.15 1.05 0.00 -0.55 0.00 0.00 41.25 41.00 3iv6 s ASN 5 CO -0.07 -0.05 1.81 0.77 -2.79 0.00 0.00 177.10 176.77 3iv6 h SER 6 N 8.00 0.00 0.72 -4.21 4.64 -1.95 -2.84 113.55 117.91 3iv6 h SER 6 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 3iv6 h SER 6 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3iv6 h SER 6 CO 0.52 0.00 -0.46 0.11 -0.87 0.00 0.00 176.83 176.13 3iv6 h LYS 7 N 0.00 0.00 -0.03 4.77 1.57 -1.93 -2.91 116.57 118.04 3iv6 h LYS 7 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iv6 h LYS 7 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3iv6 h LYS 7 CO 0.00 0.46 -0.16 0.00 -0.57 0.00 0.00 179.45 179.18 3iv6 h ALA 8 N 1.54 1.68 0.00 3.86 0.00 -1.82 -0.57 119.26 123.95 3iv6 h ALA 8 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iv6 h ALA 8 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iv6 h ALA 8 CO 0.06 0.24 0.01 0.93 0.00 0.00 0.00 179.25 180.49 3iv6 h GLU 9 N 0.04 0.00 0.00 0.00 5.08 -1.70 -0.28 114.58 117.73 3iv6 h GLU 9 Ca 0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 3iv6 h GLU 9 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3iv6 h GLU 9 CO 0.02 0.00 -0.84 0.00 -1.00 0.00 0.00 179.01 177.19 3iv6 h ALA 10 N 1.97 0.46 0.00 3.43 0.00 -1.27 -3.27 119.26 120.57 3iv6 h ALA 10 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 54.01 3iv6 h ALA 10 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iv6 h ALA 10 CO 0.00 1.06 -1.08 -1.49 0.00 0.00 0.00 179.25 177.74 3iv6 h TRP 11 N 0.00 0.00 0.00 0.00 4.06 -1.16 -2.99 115.95 115.86 3iv6 h TRP 11 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3iv6 h TRP 11 Cb 1.64 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.80 3iv6 h TRP 11 CO 0.00 0.51 -0.03 0.93 -3.56 0.00 0.00 178.44 176.30 3iv6 h GLU 12 N 0.00 0.00 0.00 0.49 4.39 -1.46 -0.79 114.58 117.21 3iv6 h GLU 12 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3iv6 h GLU 12 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3iv6 h GLU 12 CO 0.05 0.03 0.00 1.28 -1.16 0.00 0.00 179.01 179.21 3iv6 n LEU 13 N -3.70 0.60 -0.05 1.33 4.77 -1.13 -4.46 117.00 114.36 3iv6 n LEU 13 Ca -0.03 0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 3iv6 n LEU 13 Cb 0.12 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 3iv6 n LEU 13 CO 0.27 -0.22 -0.71 -0.38 -1.33 0.00 0.00 177.39 175.02 3iv6 n ILE 14 N -2.08 1.07 -3.55 -0.08 2.08 -0.35 -5.04 119.36 111.40 3iv6 n ILE 14 Ca 0.05 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3iv6 n ILE 14 Cb 0.36 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 3iv6 n ILE 14 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3iv6 n GLY 15 N 2.23 1.41 0.35 7.39 0.00 -0.89 -2.46 105.19 113.22 3iv6 n GLY 15 Ca -0.19 -0.52 0.18 0.00 0.00 0.00 0.00 46.02 45.48 3iv6 n GLY 15 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3iv6 h ASN 16 N 6.60 0.00 0.00 1.61 7.08 -1.92 -2.80 115.58 126.15 3iv6 h ASN 16 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3iv6 h ASN 16 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3iv6 h ASN 16 CO 0.00 0.00 0.23 0.00 -2.08 0.00 0.00 177.43 175.58 3iv6 n GLN 17 N -3.42 0.06 0.14 4.14 6.02 -1.03 -1.77 117.38 121.52 3iv6 n GLN 17 Ca 0.02 0.49 -0.00 0.00 -0.01 0.00 0.00 57.00 57.49 3iv6 n GLN 17 Cb 0.40 -1.93 0.15 0.00 1.02 0.00 0.00 30.24 29.89 3iv6 n GLN 17 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3iv6 h PHE 18 N 0.00 0.00 -0.00 1.08 3.57 -1.69 -2.46 116.94 117.43 3iv6 h PHE 18 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3iv6 h PHE 18 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3iv6 h PHE 18 CO 0.00 0.61 0.00 -2.67 -2.23 0.00 0.00 178.31 174.02 3iv6 n TRP 19 N -3.63 0.00 0.00 0.41 2.14 -0.76 -4.33 117.44 111.27 3iv6 n TRP 19 Ca -0.01 -0.07 0.00 0.00 2.07 0.00 0.00 57.50 59.50 3iv6 n TRP 19 Cb 0.65 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 31.14 3iv6 n TRP 19 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3iv6 n THR 20 N -0.04 0.00 -1.20 -1.67 -1.04 -0.73 -4.77 114.28 104.83 3iv6 n THR 20 Ca 0.00 0.04 -0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3iv6 n THR 20 Cb 0.05 -0.56 0.24 0.00 -1.82 0.00 0.00 70.33 68.23 3iv6 n THR 20 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3iv6 n ILE 21 N -1.08 2.52 -0.00 12.58 -5.35 -1.18 -5.07 119.36 121.77 3iv6 n ILE 21 Ca 0.00 -2.20 0.01 0.00 -0.27 0.00 0.00 62.75 60.28 3iv6 n ILE 21 Cb 0.00 -0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 37.58 3iv6 n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iv6 n GLY 22 N -0.76 -0.08 3.13 3.28 0.00 -0.93 -2.13 105.19 107.69 3iv6 n GLY 22 Ca 0.31 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3iv6 n GLY 22 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iv6 s ARG 27 N -2.12 0.37 0.64 1.61 1.70 -1.26 -4.85 118.95 115.05 3iv6 s ARG 27 Ca -0.01 0.09 -0.18 0.00 -0.47 0.00 0.00 55.73 55.16 3iv6 s ARG 27 Cb 0.01 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 3iv6 s ARG 27 CO 0.07 -0.07 1.29 -2.14 -1.08 0.00 0.00 175.30 173.37 3iv6 s PRO 28 N -0.41 2.63 1.10 3.89 0.02 -1.26 -5.01 135.00 135.96 3iv6 s PRO 28 Ca -0.05 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 3iv6 s PRO 28 Cb -0.03 -1.88 0.26 0.00 0.02 0.00 0.00 34.50 32.87 3iv6 s PRO 28 CO 0.01 -1.53 1.25 -1.54 -0.33 0.00 0.00 177.00 174.86 3iv6 s SER 29 N -1.39 1.88 0.05 2.53 1.04 -1.26 -4.81 113.70 111.74 3iv6 s SER 29 Ca 0.81 0.33 -0.21 0.00 0.48 0.00 0.00 55.95 57.36 3iv6 s SER 29 Cb -0.37 -0.37 -0.13 0.00 0.10 0.00 0.00 66.02 65.25 3iv6 s SER 29 CO 0.39 -3.50 1.44 0.44 0.98 0.00 0.00 173.24 172.99 3iv6 h ASP 30 N -2.17 0.27 -0.11 7.02 3.32 -1.99 -2.32 116.42 120.44 3iv6 h ASP 30 Ca -0.44 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.29 3iv6 h ASP 30 Cb 1.25 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3iv6 h ASP 30 CO 0.31 0.57 0.13 0.03 -1.72 0.00 0.00 179.24 178.56 3iv6 h ARG 31 N -0.03 0.00 0.00 3.56 3.08 -1.98 0.32 114.38 119.32 3iv6 h ARG 31 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3iv6 h ARG 31 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3iv6 h ARG 31 CO 0.01 0.00 -0.36 1.49 -1.07 0.00 0.00 179.97 180.04 3iv6 h GLU 32 N 0.00 0.00 -0.90 0.04 4.81 -1.86 -3.19 114.58 113.48 3iv6 h GLU 32 Ca 0.05 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3iv6 h GLU 32 Cb 0.31 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3iv6 h GLU 32 CO -0.00 0.93 0.58 -0.91 -0.73 0.00 0.00 179.01 178.88 3iv6 h ASN 33 N -1.00 0.98 -0.45 1.04 2.35 -1.21 -1.71 115.58 115.57 3iv6 h ASN 33 Ca -0.10 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.78 3iv6 h ASN 33 Cb 1.02 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 3iv6 h ASN 33 CO -0.06 0.67 0.36 0.44 -1.65 0.00 0.00 177.43 177.19 3iv6 h ASP 34 N 1.14 0.00 -0.09 5.81 3.32 -0.50 0.73 116.42 126.83 3iv6 h ASP 34 Ca 0.36 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 3iv6 h ASP 34 Cb -0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3iv6 h ASP 34 CO -0.11 0.00 -0.06 0.40 -1.72 0.00 0.00 179.24 177.74 3iv6 h ILE 35 N 0.00 1.34 -0.32 0.35 5.03 -1.29 -1.25 117.51 121.37 3iv6 h ILE 35 Ca 0.22 -1.14 -0.13 0.00 -0.12 0.00 0.00 64.86 63.69 3iv6 h ILE 35 Cb 0.93 1.91 -0.01 0.00 -3.03 0.00 0.00 36.82 36.61 3iv6 h ILE 35 CO -0.00 0.32 -0.32 -0.26 -0.68 0.00 0.00 178.15 177.21 3iv6 h PHE 36 N -0.19 0.81 -0.59 1.37 0.04 -1.36 -3.18 116.94 113.83 3iv6 h PHE 36 Ca 0.02 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3iv6 h PHE 36 Cb 0.54 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3iv6 h PHE 36 CO 0.08 0.93 0.00 1.28 -0.60 0.00 0.00 178.31 179.99 3iv6 n LEU 37 N -4.07 3.40 -4.74 1.54 4.77 0.20 -4.97 117.00 113.12 3iv6 n LEU 37 Ca -0.01 -1.66 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 3iv6 n LEU 37 Cb 0.48 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3iv6 n LEU 37 CO 0.45 0.83 1.27 1.21 -1.33 0.00 0.00 177.39 179.82 3iv6 n GLU 38 N 1.37 2.70 -0.96 3.23 2.13 -0.47 -1.70 120.64 126.94 3iv6 n GLU 38 Ca 0.21 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.99 3iv6 n GLU 38 Cb 0.55 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3iv6 n GLU 38 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3iv6 n ASN 39 N 2.58 -3.69 -4.67 4.31 3.02 -1.26 -4.99 115.26 110.56 3iv6 n ASN 39 Ca 0.10 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 3iv6 n ASN 39 Cb 0.36 -1.85 -0.07 0.00 -0.61 0.00 0.00 39.78 37.61 3iv6 n ASN 39 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iv6 s ILE 40 N -1.69 5.13 0.31 2.41 1.01 -0.69 -5.00 121.20 122.68 3iv6 s ILE 40 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.65 3iv6 s ILE 40 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3iv6 s ILE 40 CO 0.00 0.21 0.23 1.33 0.00 0.00 0.00 174.94 176.71 3iv6 n VAL 41 N 4.37 0.00 -0.16 2.92 0.24 -1.26 -4.95 118.33 119.50 3iv6 n VAL 41 Ca -0.05 -2.15 -0.04 0.00 -2.04 0.00 0.00 64.34 60.06 3iv6 n VAL 41 Cb 0.51 1.02 0.03 0.00 -1.47 0.00 0.00 33.84 33.93 3iv6 n VAL 41 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3iv6 h PRO 42 N 0.00 -0.07 -1.02 7.34 0.11 -1.72 -0.49 132.00 136.15 3iv6 h PRO 42 Ca -0.22 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.14 3iv6 h PRO 42 Cb 1.06 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 3iv6 h PRO 42 CO 0.33 -0.05 0.64 0.78 -0.21 0.00 0.00 178.00 179.49 3iv6 h GLY 43 N -0.07 1.45 -4.60 -0.55 0.00 -1.93 -3.38 103.07 93.98 3iv6 h GLY 43 Ca 0.24 -0.25 -0.52 0.00 0.00 0.00 0.00 47.33 46.79 3iv6 h GLY 43 CO -0.55 -0.15 0.90 -0.56 0.00 0.00 0.00 176.54 176.19 3iv6 s SER 44 N -5.29 6.55 -0.22 0.19 0.01 -0.19 -4.52 113.70 110.23 3iv6 s SER 44 Ca -0.10 2.67 -0.23 0.00 1.31 0.00 0.00 55.95 59.61 3iv6 s SER 44 Cb 0.26 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3iv6 s SER 44 CO 0.80 -0.85 0.72 0.42 0.41 0.00 0.00 173.24 174.74 3iv6 s THR 45 N 1.11 4.93 -0.06 1.44 -4.23 -1.26 -0.58 115.64 116.98 3iv6 s THR 45 Ca 0.71 1.36 0.04 0.00 -1.18 0.00 0.00 61.69 62.61 3iv6 s THR 45 Cb -0.45 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.37 3iv6 s THR 45 CO 0.32 0.02 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.56 3iv6 s VAL 46 N 2.36 1.51 -0.17 2.29 1.01 -0.83 -1.41 120.40 125.15 3iv6 s VAL 46 Ca 0.32 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3iv6 s VAL 46 Cb -0.16 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3iv6 s VAL 46 CO 0.09 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.55 3iv6 s ALA 47 N 0.31 2.74 -0.20 5.51 0.00 0.46 -1.03 121.76 129.55 3iv6 s ALA 47 Ca -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 3iv6 s ALA 47 Cb -0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3iv6 s ALA 47 CO 0.04 -0.05 0.01 0.08 0.00 0.00 0.00 175.76 175.84 3iv6 s VAL 48 N 0.84 4.01 -0.26 0.00 1.01 -0.23 -0.85 120.40 124.92 3iv6 s VAL 48 Ca -0.03 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 3iv6 s VAL 48 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3iv6 s VAL 48 CO 0.01 0.42 0.63 -0.63 0.00 0.00 0.00 175.10 175.53 3iv6 s ILE 49 N 1.01 4.98 0.00 2.22 -1.09 -0.32 -1.16 121.20 126.84 3iv6 s ILE 49 Ca 0.02 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3iv6 s ILE 49 Cb -0.14 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3iv6 s ILE 49 CO 0.02 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3iv6 n GLY 50 N 4.21 1.22 0.25 6.18 0.00 0.04 -4.55 105.19 112.54 3iv6 n GLY 50 Ca -0.01 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.31 3iv6 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv6 h ALA 51 N 0.00 1.17 -0.09 4.61 0.00 -1.88 -2.78 119.26 120.30 3iv6 h ALA 51 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iv6 h ALA 51 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3iv6 h ALA 51 CO 0.00 0.20 0.08 0.66 0.00 0.00 0.00 179.25 180.20 3iv6 h SER 52 N 0.00 0.00 -0.35 0.00 4.64 -1.95 -3.31 113.55 112.58 3iv6 h SER 52 Ca -0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 3iv6 h SER 52 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 3iv6 h SER 52 CO 0.02 0.00 2.93 0.41 -0.87 0.00 0.00 176.83 179.32 3iv6 n THR 53 N -4.01 3.79 0.28 2.95 -1.04 -1.05 -4.73 114.28 110.47 3iv6 n THR 53 Ca -0.01 -3.33 0.12 0.00 -2.04 0.00 0.00 64.05 58.79 3iv6 n THR 53 Cb 0.19 -2.54 0.15 0.00 -1.82 0.00 0.00 70.33 66.31 3iv6 n THR 53 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 3iv6 h ARG 54 N 5.81 0.00 0.20 -2.82 -0.00 -1.86 -2.72 114.38 112.98 3iv6 h ARG 54 Ca 0.56 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 60.27 3iv6 h ARG 54 Cb 0.59 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.59 3iv6 h ARG 54 CO 1.81 0.00 -1.23 0.74 -0.00 0.00 0.00 179.97 181.28 3iv6 h PHE 55 N 0.00 0.76 -1.00 4.08 0.04 -1.94 -2.13 116.94 116.75 3iv6 h PHE 55 Ca 0.00 -0.55 0.17 0.00 2.80 0.00 0.00 57.97 60.39 3iv6 h PHE 55 Cb 0.94 -0.03 -0.10 0.00 2.20 0.00 0.00 35.95 38.95 3iv6 h PHE 55 CO 0.00 1.47 0.61 1.25 -0.60 0.00 0.00 178.31 181.05 3iv6 h LEU 56 N -0.09 0.81 -0.28 1.54 5.85 -1.95 0.12 115.31 121.31 3iv6 h LEU 56 Ca -0.22 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3iv6 h LEU 56 Cb 1.93 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 3iv6 h LEU 56 CO 0.21 0.32 -0.15 0.40 -0.34 0.00 0.00 178.44 178.88 3iv6 h ILE 57 N 0.81 1.30 0.44 4.05 2.04 -1.44 -1.78 117.51 122.93 3iv6 h ILE 57 Ca 0.56 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3iv6 h ILE 57 Cb 0.80 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3iv6 h ILE 57 CO -0.36 0.40 -0.35 -0.33 0.00 0.00 0.00 178.15 177.51 3iv6 h GLU 58 N 0.34 -0.76 -1.03 2.37 5.08 -0.53 -1.46 114.58 118.59 3iv6 h GLU 58 Ca 0.06 0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.73 3iv6 h GLU 58 Cb 0.67 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 3iv6 h GLU 58 CO 0.04 -0.51 0.63 0.87 -1.00 0.00 0.00 179.01 179.05 3iv6 h LYS 59 N -0.79 0.47 -0.30 2.33 1.79 -0.78 0.27 116.57 119.56 3iv6 h LYS 59 Ca -0.04 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3iv6 h LYS 59 Cb 0.68 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3iv6 h LYS 59 CO -0.01 0.31 -0.00 0.00 -1.08 0.00 0.00 179.45 178.67 3iv6 h ALA 60 N 1.69 0.41 -0.92 3.86 0.00 -0.86 -2.24 119.26 121.20 3iv6 h ALA 60 Ca 0.64 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.33 3iv6 h ALA 60 Cb 1.39 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3iv6 h ALA 60 CO -0.42 0.16 0.61 -0.07 0.00 0.00 0.00 179.25 179.53 3iv6 h LEU 61 N 0.33 1.03 -2.00 0.00 3.38 -0.02 -2.27 115.31 115.77 3iv6 h LEU 61 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3iv6 h LEU 61 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iv6 h LEU 61 CO 0.02 0.73 -0.09 -0.33 0.09 0.00 0.00 178.44 178.86 3iv6 h GLU 62 N 1.21 0.00 0.00 1.13 5.08 -0.22 -1.70 114.58 120.08 3iv6 h GLU 62 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3iv6 h GLU 62 Cb -0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3iv6 h GLU 62 CO -0.09 0.09 -0.09 0.00 -1.00 0.00 0.00 179.01 177.92 3iv6 h ARG 63 N 0.00 0.00 0.00 2.33 2.47 -0.82 -3.47 114.38 114.89 3iv6 h ARG 63 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3iv6 h ARG 63 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3iv6 h ARG 63 CO 0.01 0.09 0.00 0.41 0.56 0.00 0.00 179.97 181.04 3iv6 n GLY 64 N -0.02 1.08 3.80 0.04 0.00 -0.64 -3.52 105.19 105.93 3iv6 n GLY 64 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3iv6 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv6 s ALA 65 N -2.00 2.58 -0.76 4.61 0.00 -1.12 -4.18 121.76 120.88 3iv6 s ALA 65 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.04 3iv6 s ALA 65 Cb 0.00 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 19.97 3iv6 s ALA 65 CO 0.00 -1.22 1.05 -1.12 0.00 0.00 0.00 175.76 174.47 3iv6 s SER 66 N -3.21 6.33 -0.09 0.00 0.01 0.25 -4.74 113.70 112.25 3iv6 s SER 66 Ca 0.62 -1.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.37 3iv6 s SER 66 Cb -0.16 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3iv6 s SER 66 CO 0.47 -1.34 0.51 -0.69 0.41 0.00 0.00 173.24 172.60 3iv6 s VAL 67 N 3.75 5.13 -0.04 3.43 1.01 -1.26 -1.97 120.40 130.44 3iv6 s VAL 67 Ca 0.27 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.33 3iv6 s VAL 67 Cb -0.12 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3iv6 s VAL 67 CO 0.03 0.34 -0.20 -0.89 0.00 0.00 0.00 175.10 174.38 3iv6 s THR 68 N 0.44 2.51 -0.10 3.92 2.01 -0.20 -2.47 115.64 121.76 3iv6 s THR 68 Ca 0.28 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3iv6 s THR 68 Cb -0.16 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 3iv6 s THR 68 CO 0.12 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.85 3iv6 s VAL 69 N -0.55 3.44 -0.11 3.82 1.01 0.72 -1.07 120.40 127.66 3iv6 s VAL 69 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3iv6 s VAL 69 Cb -0.11 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3iv6 s VAL 69 CO 0.01 0.56 -0.10 -0.36 0.00 0.00 0.00 175.10 175.20 3iv6 s PHE 70 N -0.28 2.85 -0.05 5.22 0.08 -0.31 -1.33 117.98 124.16 3iv6 s PHE 70 Ca 0.03 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 3iv6 s PHE 70 Cb -0.13 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3iv6 s PHE 70 CO 0.03 0.00 0.25 0.34 -0.10 0.00 0.00 175.22 175.74 3iv6 s ASP 71 N -0.08 -0.17 0.00 1.36 2.15 -1.01 -0.78 116.67 118.14 3iv6 s ASP 71 Ca -0.01 0.20 0.23 0.00 0.43 0.00 0.00 52.55 53.41 3iv6 s ASP 71 Cb -0.14 0.38 0.89 0.00 -0.30 0.00 0.00 42.92 43.75 3iv6 s ASP 71 CO 0.03 -0.28 1.63 2.22 -0.17 0.00 0.00 175.17 178.61 3iv6 n PHE 72 N 2.01 0.13 -3.77 -5.34 -1.74 -1.03 -1.25 117.46 106.48 3iv6 n PHE 72 Ca -0.18 -0.07 -0.37 0.00 -0.56 0.00 0.00 57.45 56.27 3iv6 n PHE 72 Cb 0.57 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.44 3iv6 n PHE 72 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3iv6 s SER 73 N -1.71 5.07 0.27 5.98 0.15 -1.26 -4.85 113.70 117.35 3iv6 s SER 73 Ca 0.34 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 3iv6 s SER 73 Cb 0.18 -1.88 0.45 0.00 -1.71 0.00 0.00 66.02 63.07 3iv6 s SER 73 CO 0.29 -0.16 1.88 -0.61 1.20 0.00 0.00 173.24 175.84 3iv6 h GLN 74 N 8.23 1.09 -0.68 5.44 5.75 -1.93 -0.59 115.11 132.42 3iv6 h GLN 74 Ca -0.33 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 3iv6 h GLN 74 Cb 1.14 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.44 3iv6 h GLN 74 CO 0.60 0.72 0.00 -2.13 -2.65 0.00 0.00 178.83 175.37 3iv6 n ARG 75 N -4.52 0.08 0.00 1.69 3.00 -1.26 -0.44 116.66 115.20 3iv6 n ARG 75 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 3iv6 n ARG 75 Cb 0.22 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.50 3iv6 n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iv6 h ASP 78 N 0.00 0.03 -0.38 0.00 3.32 -1.02 0.21 116.42 118.59 3iv6 h ASP 78 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3iv6 h ASP 78 Cb 0.00 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3iv6 h ASP 78 CO 0.00 0.06 0.25 0.44 -1.72 0.00 0.00 179.24 178.27 3iv6 h ASP 79 N 0.19 0.40 0.26 6.45 3.32 -0.74 -2.06 116.42 124.24 3iv6 h ASP 79 Ca 0.14 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.84 3iv6 h ASP 79 Cb 0.14 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.62 3iv6 h ASP 79 CO -0.18 0.28 -1.57 0.25 -1.72 0.00 0.00 179.24 176.30 3iv6 h LEU 80 N 0.47 0.74 -1.34 1.55 5.85 -1.61 -2.27 115.31 118.70 3iv6 h LEU 80 Ca 0.15 -0.89 0.19 0.00 0.84 0.00 0.00 57.88 58.17 3iv6 h LEU 80 Cb 0.01 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 3iv6 h LEU 80 CO -0.03 1.72 0.60 0.00 -0.34 0.00 0.00 178.44 180.39 3iv6 h ALA 81 N 0.17 2.01 0.13 1.25 0.00 -0.30 -0.17 119.26 122.35 3iv6 h ALA 81 Ca -0.28 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 3iv6 h ALA 81 Cb 2.14 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.89 3iv6 h ALA 81 CO 0.24 -0.32 -0.83 0.93 0.00 0.00 0.00 179.25 179.27 3iv6 h GLU 82 N 0.55 0.33 -0.29 0.00 5.08 -1.37 -2.39 114.58 116.49 3iv6 h GLU 82 Ca 0.50 -0.53 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3iv6 h GLU 82 Cb 1.04 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3iv6 h GLU 82 CO -0.24 1.24 0.25 0.00 -1.00 0.00 0.00 179.01 179.26 3iv6 h ALA 83 N 0.12 2.10 -0.36 3.43 0.00 -1.00 -3.03 119.26 120.51 3iv6 h ALA 83 Ca -0.14 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 3iv6 h ALA 83 Cb 1.63 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 19.16 3iv6 h ALA 83 CO 0.16 -0.40 -0.80 1.28 0.00 0.00 0.00 179.25 179.49 3iv6 n LEU 84 N -4.11 3.15 -0.29 0.00 4.77 -0.11 -4.86 117.00 115.54 3iv6 n LEU 84 Ca 0.04 -3.83 0.01 0.00 -0.03 0.00 0.00 56.01 52.20 3iv6 n LEU 84 Cb 0.41 -0.22 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 3iv6 n LEU 84 CO 0.32 1.49 1.16 0.00 -1.33 0.00 0.00 177.39 179.03 3iv6 h ALA 85 N 1.73 1.14 -0.15 -1.18 0.00 -1.30 -1.81 119.26 117.68 3iv6 h ALA 85 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iv6 h ALA 85 Cb 1.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3iv6 h ALA 85 CO 0.34 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 3iv6 n ASP 86 N -4.68 0.91 -4.67 0.00 3.85 -1.26 -4.77 116.55 105.93 3iv6 n ASP 86 Ca 0.12 -2.01 -0.24 0.00 -0.71 0.00 0.00 54.79 51.95 3iv6 n ASP 86 Cb 0.20 -0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 39.77 3iv6 n ASP 86 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3iv6 s ARG 87 N -1.77 2.39 -0.97 0.11 6.06 -0.68 -5.05 118.95 119.04 3iv6 s ARG 87 Ca 0.10 -1.27 -0.07 0.00 -2.50 0.00 0.00 55.73 51.99 3iv6 s ARG 87 Cb 0.06 -2.27 0.24 0.00 0.06 0.00 0.00 34.95 33.04 3iv6 s ARG 87 CO 0.07 0.40 0.91 0.00 -2.50 0.00 0.00 175.30 174.18 3iv6 s VAL 89 N -0.97 1.67 -0.16 0.00 1.01 -1.26 -4.69 120.40 116.00 3iv6 s VAL 89 Ca 0.27 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 3iv6 s VAL 89 Cb -0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3iv6 s VAL 89 CO -0.09 0.47 0.70 -0.89 0.00 0.00 0.00 175.10 175.29 3iv6 s THR 90 N -0.02 4.99 -0.31 3.92 2.01 -1.03 -5.00 115.64 120.20 3iv6 s THR 90 Ca -0.04 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.35 3iv6 s THR 90 Cb -0.13 -4.02 0.08 0.00 0.01 0.00 0.00 72.50 68.45 3iv6 s THR 90 CO 0.03 0.12 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.44 3iv6 s ILE 91 N 1.75 2.38 0.08 1.82 1.01 -1.26 -0.20 121.20 126.78 3iv6 s ILE 91 Ca 0.33 -1.94 0.05 0.00 0.00 0.00 0.00 60.65 59.09 3iv6 s ILE 91 Cb -0.16 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3iv6 s ILE 91 CO 0.12 -0.33 -0.06 -1.81 0.00 0.00 0.00 174.94 172.86 3iv6 s ASP 92 N 1.09 4.63 -0.26 3.58 1.01 -0.44 -4.99 116.67 121.28 3iv6 s ASP 92 Ca 0.01 -0.27 -0.23 0.00 0.71 0.00 0.00 52.55 52.77 3iv6 s ASP 92 Cb -0.20 -1.00 -0.01 0.00 1.01 0.00 0.00 42.92 42.73 3iv6 s ASP 92 CO -0.06 0.20 0.77 -0.22 0.21 0.00 0.00 175.17 176.07 3iv6 s LEU 93 N -2.04 4.08 -0.05 1.23 2.96 -1.26 -2.41 118.68 121.19 3iv6 s LEU 93 Ca 0.22 0.85 -0.31 0.00 -0.22 0.00 0.00 54.13 54.67 3iv6 s LEU 93 Cb -0.11 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.58 3iv6 s LEU 93 CO 0.13 -0.51 0.70 -0.22 -1.32 0.00 0.00 176.35 175.13 3iv6 s LEU 94 N 2.80 -0.63 -0.23 -0.68 0.20 -0.38 -4.90 118.68 114.85 3iv6 s LEU 94 Ca 0.32 0.66 -0.06 0.00 0.69 0.00 0.00 54.13 55.74 3iv6 s LEU 94 Cb -0.15 2.49 -0.03 0.00 -0.43 0.00 0.00 46.19 48.08 3iv6 s LEU 94 CO 0.09 -0.61 0.04 -0.62 -0.29 0.00 0.00 176.35 174.96 3iv6 s ASP 95 N -1.27 4.96 0.33 3.68 -1.08 -1.26 -2.45 116.67 119.57 3iv6 s ASP 95 Ca -0.10 -0.22 0.26 0.00 -0.52 0.00 0.00 52.55 51.97 3iv6 s ASP 95 Cb -0.00 -1.87 0.80 0.00 -1.46 0.00 0.00 42.92 40.38 3iv6 s ASP 95 CO 0.08 0.00 1.75 -0.29 0.52 0.00 0.00 175.17 177.23 3iv6 h ILE 96 N 5.50 0.00 -0.46 4.11 6.09 -1.97 -2.39 117.51 128.38 3iv6 h ILE 96 Ca -0.38 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 3iv6 h ILE 96 Cb 1.17 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.98 3iv6 h ILE 96 CO 0.59 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 176.02 3iv6 n THR 97 N -2.59 1.26 -4.49 2.19 -2.24 -1.26 -4.05 114.28 103.09 3iv6 n THR 97 Ca 0.04 -0.82 -0.23 0.00 -2.27 0.00 0.00 64.05 60.76 3iv6 n THR 97 Cb 0.40 0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 3iv6 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv6 s ALA 98 N -1.73 2.58 0.12 6.98 0.00 -0.90 -4.82 121.76 124.00 3iv6 s ALA 98 Ca 0.36 -2.07 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 3iv6 s ALA 98 Cb 0.23 0.36 -0.10 0.00 0.00 0.00 0.00 23.12 23.61 3iv6 s ALA 98 CO 0.18 -0.17 1.76 -2.00 0.00 0.00 0.00 175.76 175.53 3iv6 s GLU 99 N -3.78 4.15 0.19 0.00 2.56 -1.26 -4.83 118.70 115.73 3iv6 s GLU 99 Ca 0.34 2.52 -0.30 0.00 0.00 0.00 0.00 54.97 57.52 3iv6 s GLU 99 Cb 0.07 -3.50 -0.09 0.00 2.00 0.00 0.00 34.13 32.61 3iv6 s GLU 99 CO 0.15 -0.79 1.39 0.42 -0.56 0.00 0.00 175.26 175.87 3iv6 s ILE 100 N 2.41 3.04 0.34 -3.70 -1.09 -1.26 -5.00 121.20 115.93 3iv6 s ILE 100 Ca 0.78 0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 59.76 3iv6 s ILE 100 Cb -0.45 -3.52 -0.13 0.00 -1.58 0.00 0.00 42.46 36.78 3iv6 s ILE 100 CO 0.34 0.11 0.81 -2.65 -1.23 0.00 0.00 174.94 172.32 3iv6 n PRO 101 N 2.99 0.96 -0.35 2.79 -0.02 -1.26 -4.88 135.00 135.22 3iv6 n PRO 101 Ca 0.08 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3iv6 n PRO 101 Cb 0.42 -1.67 0.16 0.00 -0.02 0.00 0.00 33.50 32.38 3iv6 n PRO 101 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3iv6 h LYS 102 N 1.44 1.11 0.00 -0.52 1.57 -1.96 -2.67 116.57 115.53 3iv6 h LYS 102 Ca -0.39 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3iv6 h LYS 102 Cb 1.37 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3iv6 h LYS 102 CO 0.57 0.73 0.00 -0.85 -0.57 0.00 0.00 179.45 179.33 3iv6 n GLU 103 N -4.52 0.15 -0.05 3.15 0.00 -1.26 -2.70 120.64 115.41 3iv6 n GLU 103 Ca 0.14 0.27 -0.09 0.00 0.00 0.00 0.00 57.16 57.48 3iv6 n GLU 103 Cb 0.17 -1.73 -0.15 0.00 0.00 0.00 0.00 31.44 29.73 3iv6 n GLU 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3iv6 n LEU 104 N -1.99 0.63 -4.63 -1.84 4.77 -1.05 -4.93 117.00 107.95 3iv6 n LEU 104 Ca 0.04 0.26 -0.54 0.00 -0.03 0.00 0.00 56.01 55.74 3iv6 n LEU 104 Cb 0.29 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3iv6 n LEU 104 CO 0.23 0.44 1.05 0.00 -1.33 0.00 0.00 177.39 177.78 3iv6 n ALA 105 N -2.64 -0.76 -1.13 -1.18 0.00 -1.04 -2.20 120.51 111.56 3iv6 n ALA 105 Ca -0.23 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 3iv6 n ALA 105 Cb 1.09 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3iv6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv6 n GLY 106 N 3.13 0.72 0.73 0.00 0.00 0.20 -4.92 105.19 105.05 3iv6 n GLY 106 Ca 0.22 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3iv6 n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iv6 n HIS 107 N -2.85 0.00 -5.06 1.61 -0.00 -0.82 -4.65 115.22 103.45 3iv6 n HIS 107 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.39 3iv6 n HIS 107 Cb 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.98 3iv6 n HIS 107 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3iv6 s PHE 108 N -2.23 2.11 0.33 4.41 0.08 -1.02 -4.91 117.98 116.75 3iv6 s PHE 108 Ca 0.23 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.73 3iv6 s PHE 108 Cb 0.19 -1.40 0.58 0.00 -0.57 0.00 0.00 43.02 41.82 3iv6 s PHE 108 CO 0.43 -0.21 1.76 -0.44 -0.10 0.00 0.00 175.22 176.66 3iv6 h ASP 109 N 6.23 0.13 -4.05 1.36 3.32 -1.51 -3.37 116.42 118.53 3iv6 h ASP 109 Ca -0.31 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.50 3iv6 h ASP 109 Cb 1.18 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 3iv6 h ASP 109 CO 0.47 0.51 -0.58 -0.36 -1.72 0.00 0.00 179.24 177.56 3iv6 s PHE 110 N -4.18 -0.07 -0.12 4.55 0.08 -0.79 -1.67 117.98 115.77 3iv6 s PHE 110 Ca -0.04 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.20 3iv6 s PHE 110 Cb 0.14 0.01 0.01 0.00 -0.57 0.00 0.00 43.02 42.61 3iv6 s PHE 110 CO 0.75 -0.10 -0.18 0.08 -0.10 0.00 0.00 175.22 175.66 3iv6 s VAL 111 N -0.28 1.75 0.08 -0.44 1.01 -0.68 -0.40 120.40 121.43 3iv6 s VAL 111 Ca -0.04 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3iv6 s VAL 111 Cb -0.03 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3iv6 s VAL 111 CO 0.00 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.64 3iv6 s LEU 112 N 0.86 2.59 0.04 3.92 1.43 -0.03 -0.42 118.68 127.07 3iv6 s LEU 112 Ca -0.08 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.27 3iv6 s LEU 112 Cb -0.15 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3iv6 s LEU 112 CO -0.01 0.22 0.55 0.54 0.23 0.00 0.00 176.35 177.88 3iv6 s ASN 113 N -1.76 -0.48 -0.32 2.29 2.20 -0.33 -1.17 114.94 115.37 3iv6 s ASN 113 Ca 0.16 0.26 0.01 0.00 -0.94 0.00 0.00 52.86 52.34 3iv6 s ASN 113 Cb -0.10 0.50 0.10 0.00 -2.00 0.00 0.00 41.25 39.75 3iv6 s ASN 113 CO 0.07 -0.71 0.09 -0.62 -2.94 0.00 0.00 177.10 172.99 3iv6 s ASP 114 N -1.87 4.24 -1.43 3.54 2.15 -1.26 -2.06 116.67 119.98 3iv6 s ASP 114 Ca -0.06 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.12 3iv6 s ASP 114 Cb -0.01 -1.08 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3iv6 s ASP 114 CO -0.00 -0.40 0.00 0.54 -0.17 0.00 0.00 175.17 175.13 3iv6 n ARG 115 N 4.67 -1.89 -0.22 4.34 3.00 -0.77 -4.86 116.66 120.93 3iv6 n ARG 115 Ca -0.00 0.81 -0.05 0.00 -0.01 0.00 0.00 57.85 58.60 3iv6 n ARG 115 Cb 0.42 -5.39 0.12 0.00 0.00 0.00 0.00 32.46 27.61 3iv6 n ARG 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3iv6 h LEU 116 N 0.00 0.96 -2.19 0.55 5.85 -1.84 -3.08 115.31 115.56 3iv6 h LEU 116 Ca -0.38 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3iv6 h LEU 116 Cb 1.25 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3iv6 h LEU 116 CO 0.46 0.89 -0.03 0.40 -0.34 0.00 0.00 178.44 179.82 3iv6 h ILE 117 N 0.99 0.74 0.00 4.05 2.04 -1.89 -0.11 117.51 123.33 3iv6 h ILE 117 Ca 0.22 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3iv6 h ILE 117 Cb 0.28 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3iv6 h ILE 117 CO -0.01 0.03 0.00 0.59 0.00 0.00 0.00 178.15 178.76 3iv6 n ASN 118 N -4.09 0.02 -1.54 1.72 4.13 -1.16 -2.02 115.26 112.32 3iv6 n ASN 118 Ca -0.03 0.51 0.08 0.00 1.68 0.00 0.00 54.58 56.82 3iv6 n ASN 118 Cb 0.12 -0.51 0.33 0.00 -1.54 0.00 0.00 39.78 38.18 3iv6 n ASN 118 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3iv6 n ARG 119 N -1.52 3.71 -4.45 3.52 5.12 -0.05 -4.56 116.66 118.42 3iv6 n ARG 119 Ca 0.03 -2.64 -0.25 0.00 -1.93 0.00 0.00 57.85 53.06 3iv6 n ARG 119 Cb 0.15 -1.92 -0.11 0.00 -1.16 0.00 0.00 32.46 29.43 3iv6 n ARG 119 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3iv6 s PHE 120 N -2.00 2.26 0.45 -1.55 0.08 -0.86 -4.95 117.98 111.43 3iv6 s PHE 120 Ca 0.47 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.06 3iv6 s PHE 120 Cb 0.32 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.67 3iv6 s PHE 120 CO 0.20 0.63 0.82 0.95 -0.10 0.00 0.00 175.22 177.72 3iv6 s THR 121 N -2.23 4.77 0.21 0.64 -4.23 -1.26 -1.02 115.64 112.51 3iv6 s THR 121 Ca 0.26 0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 3iv6 s THR 121 Cb -0.06 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.34 3iv6 s THR 121 CO 0.13 -0.65 1.12 0.41 -0.54 0.00 0.00 174.62 175.09 3iv6 n THR 122 N -1.61 -0.30 -0.12 3.99 -1.04 -1.26 -0.43 114.28 113.51 3iv6 n THR 122 Ca 0.03 1.62 -0.09 0.00 -2.04 0.00 0.00 64.05 63.57 3iv6 n THR 122 Cb 0.54 -2.27 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 3iv6 n THR 122 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3iv6 h GLU 123 N 0.00 0.52 -0.74 -2.82 4.81 -2.01 -2.83 114.58 111.51 3iv6 h GLU 123 Ca 0.36 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3iv6 h GLU 123 Cb 0.60 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3iv6 h GLU 123 CO -0.72 0.48 0.28 0.93 -0.73 0.00 0.00 179.01 179.25 3iv6 h GLU 124 N 0.44 1.12 0.00 1.92 5.08 -1.12 -2.95 114.58 119.06 3iv6 h GLU 124 Ca 0.12 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iv6 h GLU 124 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3iv6 h GLU 124 CO -0.01 0.93 -0.11 0.00 -1.00 0.00 0.00 179.01 178.81 3iv6 h ALA 125 N 1.14 -0.13 -0.74 3.43 0.00 -0.82 0.72 119.26 122.87 3iv6 h ALA 125 Ca 0.24 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.32 3iv6 h ALA 125 Cb 0.24 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 3iv6 h ALA 125 CO -0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 179.25 178.54 3iv6 h ARG 126 N -0.19 0.04 -0.46 0.00 3.08 -1.43 0.10 114.38 115.53 3iv6 h ARG 126 Ca 0.04 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3iv6 h ARG 126 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3iv6 h ARG 126 CO -0.11 0.03 -0.14 0.00 -1.07 0.00 0.00 179.97 178.68 3iv6 h ARG 127 N 0.04 0.86 -0.10 0.04 3.08 -1.03 -2.42 114.38 114.85 3iv6 h ARG 127 Ca 0.38 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3iv6 h ARG 127 Cb 0.63 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3iv6 h ARG 127 CO -0.71 0.95 0.03 0.00 -1.07 0.00 0.00 179.97 179.17 3iv6 h ALA 128 N 1.07 0.13 -0.53 0.04 0.00 0.37 0.05 119.26 120.40 3iv6 h ALA 128 Ca 0.12 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3iv6 h ALA 128 Cb 0.66 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3iv6 h ALA 128 CO 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.10 3iv6 h LEU 130 N 0.19 -0.49 -0.95 0.00 3.38 -1.08 -0.83 115.31 115.53 3iv6 h LEU 130 Ca 0.27 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3iv6 h LEU 130 Cb 0.39 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3iv6 h LEU 130 CO -0.39 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.58 3iv6 n GLY 131 N -1.36 0.00 0.00 0.83 0.00 0.17 -1.04 105.19 103.79 3iv6 n GLY 131 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3iv6 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iv6 n LEU 133 N 0.27 0.00 -0.13 0.99 4.77 -0.32 -1.95 117.00 120.63 3iv6 n LEU 133 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3iv6 n LEU 133 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 3iv6 n LEU 133 CO 0.00 0.00 1.12 -1.28 -1.33 0.00 0.00 177.39 175.90 3iv6 h SER 134 N 0.00 0.74 -0.45 -1.43 0.87 -1.33 -2.06 113.55 109.88 3iv6 h SER 134 Ca 0.00 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 3iv6 h SER 134 Cb 0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3iv6 h SER 134 CO 0.00 0.62 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.60 3iv6 h LEU 135 N 0.83 1.00 0.00 2.23 3.38 -1.65 0.60 115.31 121.70 3iv6 h LEU 135 Ca 0.21 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3iv6 h LEU 135 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3iv6 h LEU 135 CO -0.03 1.19 -0.54 -0.37 0.09 0.00 0.00 178.44 178.78 3iv6 h VAL 136 N 0.81 0.00 0.00 1.22 -1.51 -1.65 -2.07 116.25 113.05 3iv6 h VAL 136 Ca 0.10 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3iv6 h VAL 136 Cb 0.83 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3iv6 h VAL 136 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 3iv6 n GLY 137 N 1.23 0.77 1.17 5.19 0.00 -0.80 0.19 105.19 112.94 3iv6 n GLY 137 Ca 0.03 0.61 0.08 0.00 0.00 0.00 0.00 46.02 46.73 3iv6 n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iv6 n SER 138 N 8.12 3.42 -2.53 1.61 3.41 -1.26 -4.51 113.62 121.88 3iv6 n SER 138 Ca 0.00 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 3iv6 n SER 138 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3iv6 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv6 n GLY 139 N 1.13 -0.18 3.00 5.00 0.00 0.13 -4.88 105.19 109.39 3iv6 n GLY 139 Ca 0.19 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 3iv6 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iv6 s THR 140 N 0.33 1.22 -0.15 2.61 2.01 -0.67 -4.59 115.64 116.40 3iv6 s THR 140 Ca 0.00 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 3iv6 s THR 140 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3iv6 s THR 140 CO 0.00 0.39 0.14 -0.69 -0.69 0.00 0.00 174.62 173.77 3iv6 s VAL 141 N 1.06 5.47 -0.12 3.82 1.01 -0.74 -1.68 120.40 129.23 3iv6 s VAL 141 Ca -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3iv6 s VAL 141 Cb -0.15 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3iv6 s VAL 141 CO -0.01 0.56 -0.06 -0.13 0.00 0.00 0.00 175.10 175.45 3iv6 s ARG 142 N -0.54 1.41 -0.06 2.72 0.52 0.44 -1.62 118.95 121.82 3iv6 s ARG 142 Ca 0.13 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3iv6 s ARG 142 Cb -0.12 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.76 3iv6 s ARG 142 CO 0.02 -0.30 -0.11 0.00 0.02 0.00 0.00 175.30 174.93 3iv6 s ALA 143 N 1.73 1.14 0.18 2.13 0.00 -0.46 -1.18 121.76 125.30 3iv6 s ALA 143 Ca 0.04 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3iv6 s ALA 143 Cb -0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3iv6 s ALA 143 CO -0.08 0.11 0.26 -1.54 0.00 0.00 0.00 175.76 174.51 3iv6 s SER 144 N 0.59 6.08 -0.07 0.00 1.04 -0.87 -0.80 113.70 119.66 3iv6 s SER 144 Ca -0.12 0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.33 3iv6 s SER 144 Cb -0.14 -1.75 0.04 0.00 0.10 0.00 0.00 66.02 64.27 3iv6 s SER 144 CO 0.03 0.02 0.16 -0.69 0.98 0.00 0.00 173.24 173.74 3iv6 s VAL 145 N -1.83 -0.06 -0.03 5.02 1.01 -1.26 -1.84 120.40 121.41 3iv6 s VAL 145 Ca 0.33 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 3iv6 s VAL 145 Cb -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3iv6 s VAL 145 CO 0.27 0.08 1.29 -0.75 0.00 0.00 0.00 175.10 175.98 3iv6 s LYS 146 N 1.26 4.32 0.12 2.72 2.47 -1.26 -4.44 119.74 124.93 3iv6 s LYS 146 Ca -0.08 1.80 0.02 0.00 -1.56 0.00 0.00 55.97 56.14 3iv6 s LYS 146 Cb -0.12 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 3iv6 s LYS 146 CO -0.06 -0.50 0.23 -0.51 0.16 0.00 0.00 175.35 174.67 3iv6 s LEU 147 N 2.29 4.24 0.00 5.43 1.43 -0.19 -4.51 118.68 127.36 3iv6 s LEU 147 Ca 0.59 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3iv6 s LEU 147 Cb -0.28 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.12 3iv6 s LEU 147 CO 0.24 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3iv6 n GLY 148 N -0.23 -1.86 3.91 -3.19 0.00 0.53 -4.89 105.19 99.45 3iv6 n GLY 148 Ca -0.07 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 3iv6 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iv6 s PHE 149 N 0.00 3.54 0.58 1.61 0.08 -1.26 -4.41 117.98 118.12 3iv6 s PHE 149 Ca 0.00 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 57.81 3iv6 s PHE 149 Cb 0.00 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3iv6 s PHE 149 CO 0.00 -0.19 0.84 0.71 -0.10 0.00 0.00 175.22 176.48 3iv6 s TYR 150 N -2.62 3.01 0.22 0.36 2.02 -1.26 -4.97 117.35 114.11 3iv6 s TYR 150 Ca 0.47 0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 57.35 3iv6 s TYR 150 Cb -0.10 -2.79 0.23 0.00 -0.40 0.00 0.00 41.96 38.90 3iv6 s TYR 150 CO 0.41 -0.92 1.85 -0.44 -1.57 0.00 0.00 175.55 174.89 3iv6 h ASP 151 N -0.10 0.78 -0.67 2.29 3.32 -2.02 -1.76 116.42 118.26 3iv6 h ASP 151 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3iv6 h ASP 151 Cb 1.29 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3iv6 h ASP 151 CO 0.57 0.53 0.35 -0.29 -1.72 0.00 0.00 179.24 178.67 3iv6 h ILE 152 N 0.92 1.22 -0.78 0.35 2.10 -1.94 -2.62 117.51 116.75 3iv6 h ILE 152 Ca 0.31 -0.59 0.07 0.00 1.08 0.00 0.00 64.86 65.73 3iv6 h ILE 152 Cb 0.05 0.31 -0.06 0.00 -1.09 0.00 0.00 36.82 36.03 3iv6 h ILE 152 CO -0.13 0.25 0.46 0.44 -1.08 0.00 0.00 178.15 178.10 3iv6 h ASP 153 N 0.98 0.70 -0.14 2.19 3.32 -1.70 -0.02 116.42 121.74 3iv6 h ASP 153 Ca 0.24 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3iv6 h ASP 153 Cb 0.08 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3iv6 h ASP 153 CO -0.03 0.44 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.84 3iv6 h LEU 154 N 0.83 -0.09 0.13 1.55 3.38 -1.26 -0.04 115.31 119.82 3iv6 h LEU 154 Ca 0.35 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3iv6 h LEU 154 Cb 0.22 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3iv6 h LEU 154 CO -0.19 -0.02 -0.12 0.11 0.09 0.00 0.00 178.44 178.30 3iv6 h LYS 155 N 0.03 -0.27 -1.19 1.13 1.79 -1.47 0.18 116.57 116.77 3iv6 h LYS 155 Ca 0.07 0.02 0.34 0.00 -2.18 0.00 0.00 60.65 58.90 3iv6 h LYS 155 Cb 0.09 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.72 3iv6 h LYS 155 CO -0.13 -0.18 0.81 1.25 -1.08 0.00 0.00 179.45 180.12 3iv6 h LEU 156 N -0.28 0.23 0.07 2.94 5.85 -0.63 0.31 115.31 123.79 3iv6 h LEU 156 Ca 0.00 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 3iv6 h LEU 156 Cb 0.26 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3iv6 h LEU 156 CO -0.03 0.00 -0.89 0.40 -0.34 0.00 0.00 178.44 177.58 3iv6 h ILE 157 N 0.18 1.31 0.23 4.05 2.04 -0.45 -2.79 117.51 122.08 3iv6 h ILE 157 Ca 0.64 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 64.13 3iv6 h ILE 157 Cb 2.08 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 41.05 3iv6 h ILE 157 CO -0.20 0.61 -0.20 -0.08 0.00 0.00 0.00 178.15 178.27 3iv6 h GLU 158 N -0.63 -0.44 0.00 2.37 4.81 0.16 -1.61 114.58 119.24 3iv6 h GLU 158 Ca -0.20 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3iv6 h GLU 158 Cb 1.45 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 3iv6 h GLU 158 CO 0.01 -0.29 -0.07 1.88 -0.73 0.00 0.00 179.01 179.81 3iv6 h TYR 159 N -0.46 0.00 0.01 0.92 0.05 -0.60 -2.14 116.97 114.75 3iv6 h TYR 159 Ca -0.01 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 3iv6 h TYR 159 Cb 0.42 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.16 3iv6 h TYR 159 CO -0.14 0.07 -0.98 0.78 -1.05 0.00 0.00 178.16 176.84 3iv6 h GLY 160 N 1.77 0.50 1.11 3.88 0.00 -1.20 -3.23 103.07 105.91 3iv6 h GLY 160 Ca -0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 47.33 46.28 3iv6 h GLY 160 CO 0.01 0.80 -0.29 0.83 0.00 0.00 0.00 176.54 177.88 3iv6 h GLU 161 N 0.25 0.97 0.00 4.80 4.39 -0.93 -1.55 114.58 122.49 3iv6 h GLU 161 Ca -0.09 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3iv6 h GLU 161 Cb 1.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 3iv6 h GLU 161 CO 0.17 1.12 0.00 1.04 -1.16 0.00 0.00 179.01 180.19 3iv6 n GLN 162 N -4.10 0.44 -0.15 2.33 6.02 -0.84 -2.75 117.38 118.34 3iv6 n GLN 162 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3iv6 n GLN 162 Cb 0.50 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.47 3iv6 n GLN 162 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3iv6 n SER 163 N -0.78 0.00 -3.84 1.08 3.41 -1.12 -5.03 113.62 107.34 3iv6 n SER 163 Ca 0.06 -1.23 -0.30 0.00 -0.26 0.00 0.00 58.87 57.14 3iv6 n SER 163 Cb 0.03 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3iv6 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv6 n GLY 164 N 0.00 -0.48 0.19 5.00 0.00 -0.76 -4.84 105.19 104.30 3iv6 n GLY 164 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3iv6 n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iv6 n THR 165 N -4.35 0.00 -0.29 2.61 -2.24 -0.66 -4.74 114.28 104.60 3iv6 n THR 165 Ca 0.04 -0.49 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 3iv6 n THR 165 Cb 0.52 1.10 0.30 0.00 -2.10 0.00 0.00 70.33 70.15 3iv6 n THR 165 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iv6 h LEU 166 N 0.91 0.79 -1.96 3.22 5.85 -1.84 0.22 115.31 122.50 3iv6 h LEU 166 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3iv6 h LEU 166 Cb 0.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3iv6 h LEU 166 CO 0.00 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 3iv6 h ALA 167 N 1.56 1.00 0.00 1.25 0.00 -1.85 -2.39 119.26 118.82 3iv6 h ALA 167 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 3iv6 h ALA 167 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3iv6 h ALA 167 CO -0.19 0.00 -0.54 0.87 0.00 0.00 0.00 179.25 179.38 3iv6 h LYS 168 N 0.00 0.00 0.00 0.00 1.57 -0.90 -3.37 116.57 113.86 3iv6 h LYS 168 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iv6 h LYS 168 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iv6 h LYS 168 CO 0.00 0.54 -0.18 1.97 -0.57 0.00 0.00 179.45 181.21 3iv6 n PHE 169 N -3.24 0.00 -3.63 -1.35 1.16 -1.04 -4.87 117.46 104.50 3iv6 n PHE 169 Ca 0.02 -0.17 -0.14 0.00 -1.87 0.00 0.00 57.45 55.29 3iv6 n PHE 169 Cb 0.75 -0.04 -0.13 0.00 -1.61 0.00 0.00 39.48 38.45 3iv6 n PHE 169 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 3iv6 s PHE 170 N -0.44 -0.43 -0.43 2.97 5.36 -0.93 -0.76 117.98 123.33 3iv6 s PHE 170 Ca 0.04 0.88 -0.14 0.00 -0.96 0.00 0.00 56.93 56.74 3iv6 s PHE 170 Cb 0.03 -0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.68 3iv6 s PHE 170 CO 0.00 -0.40 0.32 0.34 -1.46 0.00 0.00 175.22 174.02 3iv6 s ASP 171 N 2.42 6.03 0.59 6.13 -1.08 -0.17 -4.59 116.67 125.99 3iv6 s ASP 171 Ca 0.02 -1.11 0.36 0.00 -0.52 0.00 0.00 52.55 51.31 3iv6 s ASP 171 Cb -0.13 -2.13 1.81 0.00 -1.46 0.00 0.00 42.92 41.00 3iv6 s ASP 171 CO -0.09 -0.52 2.16 -0.65 0.52 0.00 0.00 175.17 176.59 3iv6 h PRO 172 N 8.63 0.00 0.00 4.34 0.11 -1.95 -0.10 132.00 143.03 3iv6 h PRO 172 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3iv6 h PRO 172 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3iv6 h PRO 172 CO 0.78 0.03 -0.09 0.66 -0.21 0.00 0.00 178.00 179.16 3iv6 h SER 173 N 0.00 0.00 0.00 -2.05 4.64 -1.98 -3.23 113.55 110.93 3iv6 h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iv6 h SER 173 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3iv6 h SER 173 CO 0.00 0.09 -0.82 -0.67 -0.87 0.00 0.00 176.83 174.57 3iv6 n ASP 174 N -4.08 4.08 -3.52 4.97 4.64 -1.04 -5.00 116.55 116.61 3iv6 n ASP 174 Ca -0.03 -0.03 -0.19 0.00 -1.38 0.00 0.00 54.79 53.16 3iv6 n ASP 174 Cb 0.18 0.88 0.07 0.00 -1.04 0.00 0.00 41.12 41.21 3iv6 n ASP 174 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3iv6 n LYS 175 N -1.28 -6.36 -3.61 -0.67 5.02 -0.11 -4.43 118.16 106.72 3iv6 n LYS 175 Ca 0.00 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 3iv6 n LYS 175 Cb 0.00 -5.71 -0.06 0.00 -0.02 0.00 0.00 35.03 29.24 3iv6 n LYS 175 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iv6 s THR 176 N -3.42 5.24 -0.09 -0.18 2.01 -0.82 -0.85 115.64 117.53 3iv6 s THR 176 Ca 0.08 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.68 3iv6 s THR 176 Cb -0.04 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3iv6 s THR 176 CO 0.75 0.53 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.76 3iv6 s PHE 177 N -0.61 2.87 -0.58 4.92 0.08 -0.01 -1.00 117.98 123.64 3iv6 s PHE 177 Ca 0.19 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 3iv6 s PHE 177 Cb -0.14 -1.75 0.15 0.00 -0.57 0.00 0.00 43.02 40.71 3iv6 s PHE 177 CO 0.08 0.14 0.40 -1.58 -0.10 0.00 0.00 175.22 174.16 3iv6 s HIS 178 N -0.41 3.47 0.39 0.36 5.65 0.06 -1.07 115.29 123.73 3iv6 s HIS 178 Ca 0.05 -2.57 0.07 0.00 0.25 0.00 0.00 55.06 52.87 3iv6 s HIS 178 Cb -0.12 -3.25 0.82 0.00 -1.18 0.00 0.00 32.58 28.84 3iv6 s HIS 178 CO 0.02 -0.89 1.99 0.74 -0.65 0.00 0.00 174.74 175.96 3iv6 h PHE 179 N 7.37 0.64 -0.19 3.88 0.04 -1.78 -2.61 116.94 124.28 3iv6 h PHE 179 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3iv6 h PHE 179 Cb 0.98 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 3iv6 h PHE 179 CO 0.69 0.35 0.10 -0.09 -0.60 0.00 0.00 178.31 178.76 3iv6 h ARG 180 N 0.64 0.27 0.00 1.51 2.43 -1.82 -2.71 114.38 114.71 3iv6 h ARG 180 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3iv6 h ARG 180 Cb 0.20 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3iv6 h ARG 180 CO -0.07 0.29 0.00 0.39 -1.51 0.00 0.00 179.97 179.06 3iv6 n GLU 181 N -4.88 0.47 0.00 0.20 -0.58 -0.99 -2.28 120.64 112.59 3iv6 n GLU 181 Ca -0.04 0.03 0.14 0.00 -0.42 0.00 0.00 57.16 56.86 3iv6 n GLU 181 Cb 0.09 -1.50 0.53 0.00 -0.57 0.00 0.00 31.44 29.99 3iv6 n GLU 181 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iv6 n ALA 182 N -1.05 2.84 -0.82 0.62 0.00 -1.02 -4.53 120.51 116.55 3iv6 n ALA 182 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3iv6 n ALA 182 Cb 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3iv6 n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv6 n GLY 183 N 1.37 3.37 0.07 0.00 0.00 -0.96 -1.68 105.19 107.36 3iv6 n GLY 183 Ca 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3iv6 n GLY 183 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iv6 n ASP 184 N 3.99 0.47 -0.33 1.61 5.68 -1.26 -2.61 116.55 124.09 3iv6 n ASP 184 Ca 0.00 -0.30 0.11 0.00 -0.50 0.00 0.00 54.79 54.10 3iv6 n ASP 184 Cb 0.00 -0.02 0.31 0.00 -1.14 0.00 0.00 41.12 40.27 3iv6 n ASP 184 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3iv6 h VAL 185 N 0.37 0.81 -0.52 2.12 2.07 -1.71 0.25 116.25 119.63 3iv6 h VAL 185 Ca 0.00 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3iv6 h VAL 185 Cb 0.45 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 3iv6 h VAL 185 CO 0.00 0.15 0.22 0.25 0.02 0.00 0.00 177.57 178.21 3iv6 h LEU 186 N 0.82 0.26 -0.97 2.57 5.85 -1.52 -2.22 115.31 120.10 3iv6 h LEU 186 Ca 0.52 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 59.21 3iv6 h LEU 186 Cb 0.73 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3iv6 h LEU 186 CO -0.29 0.18 -0.10 0.44 -0.34 0.00 0.00 178.44 178.33 3iv6 h ASP 187 N 0.42 0.62 0.71 1.25 3.45 -0.69 -2.22 116.42 119.95 3iv6 h ASP 187 Ca 0.25 -0.17 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 3iv6 h ASP 187 Cb 0.23 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3iv6 h ASP 187 CO -0.22 0.75 -0.33 0.03 -1.57 0.00 0.00 179.24 177.90 3iv6 h ARG 188 N 0.58 0.00 0.02 3.56 3.08 -1.02 -3.18 114.38 117.42 3iv6 h ARG 188 Ca 0.11 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 3iv6 h ARG 188 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3iv6 h ARG 188 CO 0.03 0.33 -1.59 0.00 -1.07 0.00 0.00 179.97 177.67 3iv6 h ALA 189 N 1.67 0.63 -2.34 0.04 0.00 -1.10 -3.48 119.26 114.68 3iv6 h ALA 189 Ca -0.00 -1.33 -0.59 0.00 0.00 0.00 0.00 54.91 52.99 3iv6 h ALA 189 Cb 0.78 0.37 0.12 0.00 0.00 0.00 0.00 17.79 19.07 3iv6 h ALA 189 CO 0.04 1.47 0.19 -0.11 0.00 0.00 0.00 179.25 180.85 3iv6 n LEU 190 N -3.17 2.52 -4.29 0.00 7.94 -0.86 -4.86 117.00 114.28 3iv6 n LEU 190 Ca -0.15 1.08 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 3iv6 n LEU 190 Cb 1.03 -1.35 -0.14 0.00 0.53 0.00 0.00 43.42 43.49 3iv6 n LEU 190 CO 0.46 -1.36 -0.54 0.68 -1.11 0.00 0.00 177.39 175.52 3iv6 s VAL 191 N -1.21 1.84 -0.33 1.96 -7.23 -1.26 -5.06 120.40 109.11 3iv6 s VAL 191 Ca 0.61 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 3iv6 s VAL 191 Cb -0.59 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.66 3iv6 s VAL 191 CO 0.58 0.19 2.26 -2.65 -0.31 0.00 0.00 175.10 175.17 3iv6 n PRO 192 N 1.61 1.47 -2.34 4.82 -0.02 -1.26 -4.86 135.00 134.42 3iv6 n PRO 192 Ca -0.18 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 3iv6 n PRO 192 Cb 0.53 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 3iv6 n PRO 192 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3iv6 n HIS 193 N 11.73 2.65 0.00 6.00 -0.00 -1.26 -4.95 115.22 129.39 3iv6 n HIS 193 Ca 0.36 -2.72 0.00 0.00 0.46 0.00 0.00 57.72 55.82 3iv6 n HIS 193 Cb 0.38 -1.64 0.00 0.00 -0.12 0.00 0.00 29.99 28.61 3iv6 n HIS 193 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3iv6 n GLY 194 N 1.49 1.94 0.00 1.57 0.00 -1.26 -3.80 105.19 105.12 3iv6 n GLY 194 Ca 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3iv6 n GLY 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iv6 n LEU 195 N 0.00 0.57 -4.74 0.99 4.77 -0.91 -5.03 117.00 112.65 3iv6 n LEU 195 Ca 0.00 -0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 55.00 3iv6 n LEU 195 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3iv6 n LEU 195 CO 0.00 0.14 1.11 -0.63 -1.33 0.00 0.00 177.39 176.68 3iv6 s ILE 196 N -0.10 2.67 0.45 -0.08 1.01 -1.25 -4.95 121.20 118.96 3iv6 s ILE 196 Ca 0.00 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 3iv6 s ILE 196 Cb 0.00 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 3iv6 s ILE 196 CO 0.00 0.09 1.25 1.51 0.00 0.00 0.00 174.94 177.79 3iv6 s ASP 197 N 0.40 6.07 0.14 3.58 1.47 -1.26 -4.75 116.67 122.31 3iv6 s ASP 197 Ca 0.60 2.53 -0.19 0.00 1.18 0.00 0.00 52.55 56.66 3iv6 s ASP 197 Cb -0.42 -2.62 -0.00 0.00 -0.34 0.00 0.00 42.92 39.54 3iv6 s ASP 197 CO 0.43 -1.00 1.72 0.50 0.68 0.00 0.00 175.17 177.49 3iv6 h LYS 198 N 2.21 0.07 -0.96 2.11 3.64 -2.00 -1.63 116.57 120.01 3iv6 h LYS 198 Ca -0.50 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 3iv6 h LYS 198 Cb 1.26 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 3iv6 h LYS 198 CO 0.61 0.05 0.63 -1.35 -2.27 0.00 0.00 179.45 177.11 3iv6 h PRO 199 N 0.07 1.12 -0.47 1.90 0.11 -2.00 -0.20 132.00 132.53 3iv6 h PRO 199 Ca 0.12 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 3iv6 h PRO 199 Cb 0.15 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3iv6 h PRO 199 CO -0.20 0.74 0.18 1.15 -0.21 0.00 0.00 178.00 179.66 3iv6 h THR 200 N 1.15 1.21 -0.68 -1.15 2.02 -1.70 -1.73 112.91 112.04 3iv6 h THR 200 Ca 0.40 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3iv6 h THR 200 Cb 0.11 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3iv6 h THR 200 CO -0.14 0.25 0.39 -0.07 0.37 0.00 0.00 175.52 176.31 3iv6 h LEU 201 N 0.63 0.59 -0.43 2.58 3.38 -0.65 -0.19 115.31 121.21 3iv6 h LEU 201 Ca 0.16 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3iv6 h LEU 201 Cb 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3iv6 h LEU 201 CO -0.01 0.38 0.25 -0.07 0.09 0.00 0.00 178.44 179.09 3iv6 h LEU 202 N 0.72 0.52 -0.80 1.67 3.38 -0.82 -1.45 115.31 118.53 3iv6 h LEU 202 Ca 0.30 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3iv6 h LEU 202 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3iv6 h LEU 202 CO -0.17 0.43 -0.10 -0.08 0.09 0.00 0.00 178.44 178.61 3iv6 h GLU 203 N 0.57 0.80 -0.66 1.13 4.57 -1.13 -1.57 114.58 118.28 3iv6 h GLU 203 Ca 0.15 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3iv6 h GLU 203 Cb 0.01 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3iv6 h GLU 203 CO -0.03 0.87 0.39 2.35 -1.18 0.00 0.00 179.01 181.42 3iv6 h TRP 204 N 0.72 0.73 -0.33 0.92 7.01 -0.69 0.16 115.95 124.46 3iv6 h TRP 204 Ca 0.12 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.05 3iv6 h TRP 204 Cb 0.59 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 3iv6 h TRP 204 CO 0.03 0.39 -0.15 1.88 -2.79 0.00 0.00 178.44 177.80 3iv6 h TYR 205 N 0.75 0.80 -0.59 2.65 0.05 -0.84 -1.91 116.97 117.87 3iv6 h TYR 205 Ca 0.28 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 3iv6 h TYR 205 Cb 0.09 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3iv6 h TYR 205 CO -0.06 0.90 0.15 0.00 -1.05 0.00 0.00 178.16 178.10 3iv6 h ARG 206 N 0.47 0.94 0.00 4.88 3.08 -1.13 -2.84 114.38 119.77 3iv6 h ARG 206 Ca 0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3iv6 h ARG 206 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3iv6 h ARG 206 CO 0.05 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 3iv6 h ARG 207 N 0.85 0.00 0.00 0.04 3.08 -0.58 -2.84 114.38 114.94 3iv6 h ARG 207 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3iv6 h ARG 207 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3iv6 h ARG 207 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3iv6 n ARG 208 N -2.72 0.06 0.00 0.04 1.74 -0.73 -4.35 116.66 110.70 3iv6 n ARG 208 Ca 0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3iv6 n ARG 208 Cb 0.26 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3iv6 n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iv6 n GLY 209 N 0.68 3.61 3.70 -0.13 0.00 -1.07 -4.63 105.19 107.35 3iv6 n GLY 209 Ca 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3iv6 n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iv6 s LYS 210 N 0.00 4.13 -0.06 1.61 1.02 -1.26 -2.82 119.74 122.36 3iv6 s LYS 210 Ca 0.00 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3iv6 s LYS 210 Cb 0.00 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3iv6 s LYS 210 CO 0.00 0.29 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.39 3iv6 s GLU 211 N 0.36 1.62 0.17 1.68 2.02 -0.23 -4.05 118.70 120.27 3iv6 s GLU 211 Ca 0.06 -0.41 -0.27 0.00 0.02 0.00 0.00 54.97 54.38 3iv6 s GLU 211 Cb -0.11 -1.36 -0.08 0.00 0.10 0.00 0.00 34.13 32.68 3iv6 s GLU 211 CO -0.01 0.05 0.82 0.99 0.02 0.00 0.00 175.26 177.13 3iv6 s THR 212 N 0.58 4.33 -0.10 3.63 2.01 -0.19 -0.83 115.64 125.07 3iv6 s THR 212 Ca -0.13 1.81 -0.12 0.00 0.31 0.00 0.00 61.69 63.56 3iv6 s THR 212 Cb -0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3iv6 s THR 212 CO 0.03 0.50 0.29 -0.13 -0.69 0.00 0.00 174.62 174.62 3iv6 s ARG 213 N -1.01 3.94 -0.06 4.92 1.81 -0.03 -4.86 118.95 123.66 3iv6 s ARG 213 Ca 0.38 0.14 0.04 0.00 -1.72 0.00 0.00 55.73 54.57 3iv6 s ARG 213 Cb -0.24 -3.30 -0.02 0.00 -0.45 0.00 0.00 34.95 30.94 3iv6 s ARG 213 CO 0.28 0.52 -0.18 -0.06 -0.68 0.00 0.00 175.30 175.18 3iv6 s PHE 214 N -0.41 2.62 0.29 -0.53 0.08 -1.26 -4.72 117.98 114.04 3iv6 s PHE 214 Ca 0.18 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.90 3iv6 s PHE 214 Cb -0.14 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3iv6 s PHE 214 CO 0.07 0.01 0.43 -0.51 -0.10 0.00 0.00 175.22 175.12 3iv6 s ASP 215 N -0.42 6.18 0.26 1.36 1.01 -1.26 -0.34 116.67 123.45 3iv6 s ASP 215 Ca 0.05 0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.26 3iv6 s ASP 215 Cb -0.12 -1.66 0.43 0.00 1.01 0.00 0.00 42.92 42.58 3iv6 s ASP 215 CO 0.02 -0.24 1.59 -0.78 0.21 0.00 0.00 175.17 175.97 3iv6 h ASP 216 N 1.00 -0.67 -0.95 0.27 3.58 -1.98 0.12 116.42 117.79 3iv6 h ASP 216 Ca -0.49 0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.25 3iv6 h ASP 216 Cb 1.24 0.49 -0.06 0.00 1.72 0.00 0.00 39.33 42.72 3iv6 h ASP 216 CO 0.58 -0.27 0.62 -0.33 -2.88 0.00 0.00 179.24 176.96 3iv6 h GLU 217 N 0.02 1.14 -0.25 0.28 3.07 -1.99 -2.09 114.58 114.75 3iv6 h GLU 217 Ca 0.43 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 3iv6 h GLU 217 Cb 0.72 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3iv6 h GLU 217 CO -0.84 0.75 -0.35 -0.44 -1.40 0.00 0.00 179.01 176.73 3iv6 h ASP 218 N 1.17 0.57 0.06 1.42 3.32 -1.17 0.13 116.42 121.92 3iv6 h ASP 218 Ca 0.39 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3iv6 h ASP 218 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3iv6 h ASP 218 CO -0.13 0.88 -0.03 0.58 -1.72 0.00 0.00 179.24 178.82 3iv6 h VAL 219 N 0.46 1.11 -0.72 -1.35 2.07 -1.09 -0.49 116.25 116.24 3iv6 h VAL 219 Ca 0.05 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.04 3iv6 h VAL 219 Cb 0.83 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3iv6 h VAL 219 CO 0.07 0.15 0.40 0.03 0.02 0.00 0.00 177.57 178.24 3iv6 h ARG 220 N -0.35 0.70 -0.68 1.57 3.08 -1.23 -1.58 114.38 115.89 3iv6 h ARG 220 Ca -0.01 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 3iv6 h ARG 220 Cb 0.31 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3iv6 h ARG 220 CO 0.01 0.47 0.34 0.00 -1.07 0.00 0.00 179.97 179.72 3iv6 h ALA 221 N 1.38 0.93 -0.74 0.04 0.00 -0.67 -0.86 119.26 119.34 3iv6 h ALA 221 Ca 0.33 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.41 3iv6 h ALA 221 Cb 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3iv6 h ALA 221 CO -0.20 -0.04 0.32 1.25 0.00 0.00 0.00 179.25 180.58 3iv6 h LEU 222 N 0.60 0.35 0.00 0.00 5.85 -0.14 -1.52 115.31 120.45 3iv6 h LEU 222 Ca 0.33 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3iv6 h LEU 222 Cb 0.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3iv6 h LEU 222 CO -0.25 0.17 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.80 3iv6 h LEU 223 N 0.51 0.00 -0.98 2.25 3.38 -0.49 -3.05 115.31 116.92 3iv6 h LEU 223 Ca 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3iv6 h LEU 223 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3iv6 h LEU 223 CO -0.35 0.01 -0.33 -1.54 0.09 0.00 0.00 178.44 176.33 3iv6 n SER 224 N -2.54 1.86 -4.76 -0.43 3.41 -0.49 -4.77 113.62 105.90 3iv6 n SER 224 Ca 0.04 -1.42 -0.37 0.00 -0.26 0.00 0.00 58.87 56.87 3iv6 n SER 224 Cb 0.47 0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.74 3iv6 n SER 224 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iv6 s HIS 225 N -2.39 2.58 0.24 7.33 5.04 -0.60 -4.84 115.29 122.64 3iv6 s HIS 225 Ca 0.23 1.49 -0.05 0.00 -1.54 0.00 0.00 55.06 55.18 3iv6 s HIS 225 Cb 0.19 -3.51 0.25 0.00 0.04 0.00 0.00 32.58 29.55 3iv6 s HIS 225 CO 0.51 -2.06 1.82 -0.44 -2.34 0.00 0.00 174.74 172.22 3iv6 h ASP 226 N 1.52 1.01 0.00 9.88 5.19 -1.90 -1.20 116.42 130.94 3iv6 h ASP 226 Ca -0.50 -0.14 0.01 0.00 -0.62 0.00 0.00 57.03 55.78 3iv6 h ASP 226 Cb 1.28 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 3iv6 h ASP 226 CO 0.58 0.89 -0.06 0.58 -3.12 0.00 0.00 179.24 178.11 3iv6 h VAL 227 N 1.08 0.84 -0.13 -1.35 2.07 -1.94 0.12 116.25 116.95 3iv6 h VAL 227 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 3iv6 h VAL 227 Cb 0.19 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3iv6 h VAL 227 CO -0.02 0.00 0.05 0.58 0.02 0.00 0.00 177.57 178.20 3iv6 h VAL 228 N -0.11 1.05 -0.02 2.57 2.07 -1.78 -3.18 116.25 116.84 3iv6 h VAL 228 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iv6 h VAL 228 Cb 0.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3iv6 h VAL 228 CO -0.06 0.06 -0.09 0.59 0.02 0.00 0.00 177.57 178.09 3iv6 n ASN 229 N -4.48 2.37 0.23 0.57 3.02 -0.47 -4.53 115.26 111.97 3iv6 n ASN 229 Ca -0.01 -1.73 0.07 0.00 -0.03 0.00 0.00 54.58 52.88 3iv6 n ASN 229 Cb 0.11 0.08 0.61 0.00 -0.61 0.00 0.00 39.78 39.97 3iv6 n ASN 229 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iv6 h ALA 230 N 4.43 1.96 -0.44 5.41 0.00 -0.76 -2.28 119.26 127.58 3iv6 h ALA 230 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3iv6 h ALA 230 Cb 0.81 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3iv6 h ALA 230 CO 0.00 0.04 0.04 0.54 0.00 0.00 0.00 179.25 179.87 3iv6 n ARG 231 N -4.52 3.57 0.00 0.00 1.74 -1.26 -4.99 116.66 111.19 3iv6 n ARG 231 Ca -0.02 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.05 3iv6 n ARG 231 Cb 0.09 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 3iv6 n ARG 231 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iv6 n GLY 232 N -0.17 4.72 3.73 -0.13 0.00 -0.86 -5.09 105.19 107.40 3iv6 n GLY 232 Ca 0.27 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3iv6 n GLY 232 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iv6 s TYR 233 N -1.19 2.92 -0.21 1.61 5.04 -1.26 -4.56 117.35 119.70 3iv6 s TYR 233 Ca 0.00 0.56 -0.07 0.00 -2.44 0.00 0.00 57.07 55.12 3iv6 s TYR 233 Cb 0.00 -4.05 -0.03 0.00 0.35 0.00 0.00 41.96 38.23 3iv6 s TYR 233 CO 0.00 -3.81 0.05 0.08 -1.34 0.00 0.00 175.55 170.53 3iv6 s VAL 234 N 0.83 4.39 -0.19 3.14 1.01 -1.26 -4.52 120.40 123.80 3iv6 s VAL 234 Ca 0.70 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 3iv6 s VAL 234 Cb -0.47 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3iv6 s VAL 234 CO 0.36 0.40 0.14 -0.89 0.00 0.00 0.00 175.10 175.11 3iv6 s THR 235 N 1.03 5.41 -0.39 3.92 2.01 0.21 -4.89 115.64 122.94 3iv6 s THR 235 Ca 0.03 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 3iv6 s THR 235 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3iv6 s THR 235 CO 0.03 0.45 0.61 -0.22 -0.69 0.00 0.00 174.62 174.80 3iv6 s LEU 236 N 0.26 4.40 -0.19 4.42 2.96 -1.26 -1.69 118.68 127.58 3iv6 s LEU 236 Ca 0.09 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 3iv6 s LEU 236 Cb -0.11 -2.71 -0.21 0.00 0.50 0.00 0.00 46.19 43.65 3iv6 s LEU 236 CO -0.01 -0.66 0.08 -0.62 -1.32 0.00 0.00 176.35 173.82 3iv6 n GLU 237 N 6.08 0.70 -4.16 1.98 1.02 0.41 -4.98 120.64 121.68 3iv6 n GLU 237 Ca -0.02 0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 3iv6 n GLU 237 Cb 0.48 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 3iv6 n GLU 237 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3iv6 s LYS 238 N -2.53 0.80 -0.29 3.49 1.02 -0.98 -4.96 119.74 116.30 3iv6 s LYS 238 Ca -0.29 -1.03 -0.00 0.00 0.02 0.00 0.00 55.97 54.67 3iv6 s LYS 238 Cb 0.08 -0.64 0.14 0.00 -0.52 0.00 0.00 37.83 36.89 3iv6 s LYS 238 CO 0.68 0.12 0.31 0.00 -0.92 0.00 0.00 175.35 175.54 3iv6 s ALA 239 N -1.82 -0.59 -0.02 5.17 0.00 -1.25 -1.82 121.76 121.43 3iv6 s ALA 239 Ca 0.01 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.82 3iv6 s ALA 239 Cb -0.07 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 3iv6 s ALA 239 CO 0.01 -1.71 -0.24 0.08 0.00 0.00 0.00 175.76 173.90 3iv6 s VAL 240 N 2.39 1.88 0.08 0.00 1.01 -0.50 -4.95 120.40 120.32 3iv6 s VAL 240 Ca 0.09 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3iv6 s VAL 240 Cb -0.14 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 3iv6 s VAL 240 CO -0.32 0.53 1.22 -1.61 0.00 0.00 0.00 175.10 174.92 3iv6 s GLU 241 N -0.48 4.43 0.07 2.72 2.02 -1.26 -1.05 118.70 125.14 3iv6 s GLU 241 Ca 0.07 1.81 -0.22 0.00 0.02 0.00 0.00 54.97 56.65 3iv6 s GLU 241 Cb -0.10 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.75 3iv6 s GLU 241 CO -0.00 -0.25 0.66 -0.51 0.02 0.00 0.00 175.26 175.18 3iv6 s LEU 242 N 0.87 4.50 -0.06 1.80 1.43 -0.73 -4.92 118.68 121.56 3iv6 s LEU 242 Ca 0.58 1.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.79 3iv6 s LEU 242 Cb -0.31 -3.05 -0.20 0.00 0.03 0.00 0.00 46.19 42.67 3iv6 s LEU 242 CO 0.30 0.17 0.98 -0.65 0.23 0.00 0.00 176.35 177.38 3iv6 h PRO 243 N 5.00 -0.07 0.12 1.29 0.11 -1.92 -3.38 132.00 133.15 3iv6 h PRO 243 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3iv6 h PRO 243 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iv6 h PRO 243 CO 0.67 0.52 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.48 3iv6 h ASP 244 N -0.75 -0.14 -2.95 -2.05 3.45 -1.98 -3.45 116.42 108.55 3iv6 h ASP 244 Ca -0.01 -0.21 -0.54 0.00 0.43 0.00 0.00 57.03 56.71 3iv6 h ASP 244 Cb 0.62 0.04 0.08 0.00 -0.56 0.00 0.00 39.33 39.50 3iv6 h ASP 244 CO 0.01 0.42 0.89 0.00 -1.57 0.00 0.00 179.24 178.99 3iv6 n ALA 245 N -2.70 2.40 -2.46 3.45 0.00 -1.26 -4.92 120.51 115.01 3iv6 n ALA 245 Ca -0.04 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 3iv6 n ALA 245 Cb 0.17 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 3iv6 n ALA 245 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iv6 s PRO 246 N 0.11 4.26 -1.40 0.00 0.04 -1.26 -3.73 135.00 133.03 3iv6 s PRO 246 Ca 0.69 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 3iv6 s PRO 246 Cb -0.53 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.31 3iv6 s PRO 246 CO 0.43 -0.64 1.04 0.09 0.04 0.00 0.00 177.00 177.96 3iv6 n ASN 247 N 6.29 -6.31 -4.85 6.66 4.13 -1.26 -4.77 115.26 115.15 3iv6 n ASN 247 Ca 0.13 -0.47 -0.30 0.00 1.68 0.00 0.00 54.58 55.61 3iv6 n ASN 247 Cb 0.45 -4.98 -0.03 0.00 -1.54 0.00 0.00 39.78 33.67 3iv6 n ASN 247 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3iv6 s THR 248 N -3.28 1.29 -0.10 3.41 2.01 -1.24 -1.03 115.64 116.69 3iv6 s THR 248 Ca 0.52 -1.74 -0.04 0.00 0.31 0.00 0.00 61.69 60.73 3iv6 s THR 248 Cb -0.23 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.31 3iv6 s THR 248 CO 0.64 0.00 0.22 -0.22 -0.69 0.00 0.00 174.62 174.57 3iv6 s LEU 250 N -4.12 0.19 -0.19 4.42 0.20 -0.21 -1.78 118.68 117.19 3iv6 s LEU 250 Ca 0.17 0.49 -0.04 0.00 0.69 0.00 0.00 54.13 55.44 3iv6 s LEU 250 Cb -0.01 0.61 -0.02 0.00 -0.43 0.00 0.00 46.19 46.34 3iv6 s LEU 250 CO 0.11 -0.19 -0.03 -0.31 -0.29 0.00 0.00 176.35 175.64 3iv6 s TYR 251 N 1.71 3.00 -0.18 5.38 2.02 0.02 -1.41 117.35 127.89 3iv6 s TYR 251 Ca -0.05 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 3iv6 s TYR 251 Cb -0.11 -2.05 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3iv6 s TYR 251 CO -0.08 -0.29 -0.04 -1.14 -1.57 0.00 0.00 175.55 172.44 3iv6 s GLN 252 N 0.98 3.58 0.20 -0.62 0.74 -0.76 -1.35 119.66 122.43 3iv6 s GLN 252 Ca 0.01 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 3iv6 s GLN 252 Cb -0.14 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 3iv6 s GLN 252 CO 0.01 0.11 0.25 -0.59 -0.55 0.00 0.00 175.29 174.52 3iv6 s PHE 253 N 0.71 0.73 0.32 1.67 -0.12 -0.64 -0.44 117.98 120.21 3iv6 s PHE 253 Ca -0.02 -1.04 -0.19 0.00 -0.05 0.00 0.00 56.93 55.64 3iv6 s PHE 253 Cb -0.14 -0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.06 3iv6 s PHE 253 CO 0.02 -0.74 0.76 -1.54 -0.05 0.00 0.00 175.22 173.67 3iv6 s SER 254 N -3.06 -0.14 -0.45 1.98 1.04 -0.68 -1.79 113.70 110.60 3iv6 s SER 254 Ca 0.28 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.92 3iv6 s SER 254 Cb 0.04 0.78 0.18 0.00 0.10 0.00 0.00 66.02 67.11 3iv6 s SER 254 CO 0.07 -1.48 0.52 -0.60 0.98 0.00 0.00 173.24 172.72 3iv6 s ARG 255 N -3.20 0.93 0.38 4.02 3.52 -1.26 -0.62 118.95 122.72 3iv6 s ARG 255 Ca 0.13 -1.40 -0.02 0.00 -0.13 0.00 0.00 55.73 54.31 3iv6 s ARG 255 Cb -0.05 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.62 3iv6 s ARG 255 CO 0.09 -1.32 0.61 1.03 -0.81 0.00 0.00 175.30 174.90 3iv6 s ARG 256 N 0.69 3.51 0.00 5.12 0.52 -1.26 -4.61 118.95 122.93 3iv6 s ARG 256 Ca 0.28 -0.16 0.28 0.00 -0.52 0.00 0.00 55.73 55.61 3iv6 s ARG 256 Cb -0.01 -2.58 1.64 0.00 0.52 0.00 0.00 34.95 34.52 3iv6 s ARG 256 CO -0.10 0.06 1.99 0.00 0.02 0.00 0.00 175.30 177.26