#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv6 n THR 4 N 0.00 4.81 -3.65 7.28 -1.04 -1.26 -4.90 114.28 115.51 3iv6 n THR 4 Ca 0.00 -5.02 -0.23 0.00 -2.04 0.00 0.00 64.05 56.76 3iv6 n THR 4 Cb 0.00 -2.22 -0.17 0.00 -1.82 0.00 0.00 70.33 66.12 3iv6 n THR 4 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3iv6 s ASN 5 N -0.24 1.79 0.45 8.00 3.84 -1.26 -5.04 114.94 122.48 3iv6 s ASN 5 Ca 0.37 -0.28 0.24 0.00 0.21 0.00 0.00 52.86 53.40 3iv6 s ASN 5 Cb 0.09 -0.23 0.99 0.00 -0.55 0.00 0.00 41.25 41.55 3iv6 s ASN 5 CO 0.04 -0.29 1.86 0.77 -2.79 0.00 0.00 177.10 176.68 3iv6 h SER 6 N 8.41 0.00 0.16 -4.21 4.64 -1.95 -2.66 113.55 117.96 3iv6 h SER 6 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3iv6 h SER 6 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3iv6 h SER 6 CO 0.23 0.21 -0.04 0.11 -0.87 0.00 0.00 176.83 176.47 3iv6 h LYS 7 N 0.00 0.00 -0.26 4.77 1.57 -1.90 -1.79 116.57 118.96 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 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3iv6 h LYS 7 CO 0.03 0.04 -0.02 0.00 -0.57 0.00 0.00 179.45 178.93 3iv6 h ALA 8 N 1.96 1.50 -0.57 3.86 0.00 -1.80 -0.72 119.26 123.50 3iv6 h ALA 8 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3iv6 h ALA 8 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3iv6 h ALA 8 CO 0.00 0.36 0.38 0.93 0.00 0.00 0.00 179.25 180.92 3iv6 h GLU 9 N 0.37 0.48 -0.71 0.00 4.39 -1.51 -2.18 114.58 115.43 3iv6 h GLU 9 Ca 0.08 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.87 3iv6 h GLU 9 Cb 0.28 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 3iv6 h GLU 9 CO 0.01 0.32 0.31 0.00 -1.16 0.00 0.00 179.01 178.49 3iv6 h ALA 10 N 1.70 0.98 0.00 3.43 0.00 -1.24 -3.05 119.26 121.09 3iv6 h ALA 10 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iv6 h ALA 10 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iv6 h ALA 10 CO -0.07 -0.14 -0.15 0.91 0.00 0.00 0.00 179.25 179.80 3iv6 n TRP 11 N -4.94 0.68 0.29 0.00 7.02 -0.83 -2.74 117.44 116.91 3iv6 n TRP 11 Ca 0.12 0.20 0.16 0.00 -1.02 0.00 0.00 57.50 56.96 3iv6 n TRP 11 Cb 0.33 -0.79 0.87 0.00 -2.42 0.00 0.00 31.31 29.30 3iv6 n TRP 11 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3iv6 h GLU 12 N 0.00 0.00 0.00 -0.99 4.39 -1.43 -1.74 114.58 114.81 3iv6 h GLU 12 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3iv6 h GLU 12 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3iv6 h GLU 12 CO 0.00 0.06 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.51 3iv6 h LEU 13 N 0.00 0.00 0.00 1.33 3.38 -1.65 -3.41 115.31 114.96 3iv6 h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iv6 h LEU 13 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iv6 h LEU 13 CO 0.01 0.33 -0.89 -0.38 0.09 0.00 0.00 178.44 177.60 3iv6 n ILE 14 N -3.38 1.36 -3.97 1.22 2.08 -0.68 -4.99 119.36 111.00 3iv6 n ILE 14 Ca 0.01 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.49 3iv6 n ILE 14 Cb 0.53 -2.26 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 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 1.50 2.24 0.00 7.39 0.00 -1.06 -1.69 105.19 113.57 3iv6 n GLY 15 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3iv6 n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iv6 n ASN 16 N -0.51 0.00 0.25 1.61 0.23 -1.26 -2.22 115.26 113.35 3iv6 n ASN 16 Ca 0.00 0.42 0.10 0.00 -0.53 0.00 0.00 54.58 54.57 3iv6 n ASN 16 Cb 0.00 -0.42 0.66 0.00 -2.08 0.00 0.00 39.78 37.94 3iv6 n ASN 16 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3iv6 h GLN 17 N 0.00 0.00 -0.48 -3.83 4.20 -1.71 -2.31 115.11 110.98 3iv6 h GLN 17 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3iv6 h GLN 17 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3iv6 h GLN 17 CO 0.00 0.14 0.27 0.35 -0.67 0.00 0.00 178.83 178.92 3iv6 h PHE 18 N 0.00 0.66 -0.01 2.96 3.57 -1.63 0.25 116.94 122.73 3iv6 h PHE 18 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3iv6 h PHE 18 Cb 0.33 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3iv6 h PHE 18 CO 0.00 0.49 -0.62 -2.67 -2.23 0.00 0.00 178.31 173.28 3iv6 n TRP 19 N -4.67 0.00 -0.08 0.41 2.14 -1.15 -2.99 117.44 111.10 3iv6 n TRP 19 Ca 0.02 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.36 3iv6 n TRP 19 Cb 0.08 -0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.45 3iv6 n TRP 19 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3iv6 n THR 20 N -0.45 1.60 -0.63 -1.67 5.66 -0.88 -4.73 114.28 113.18 3iv6 n THR 20 Ca 0.08 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 3iv6 n THR 20 Cb 0.43 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 3iv6 n THR 20 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3iv6 n ILE 21 N -3.86 0.14 -1.59 1.09 -5.35 -0.01 -5.07 119.36 104.72 3iv6 n ILE 21 Ca -0.40 -0.26 -0.29 0.00 -0.27 0.00 0.00 62.75 61.54 3iv6 n ILE 21 Cb 0.90 1.32 0.11 0.00 -1.74 0.00 0.00 39.64 40.23 3iv6 n ILE 21 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3iv6 s GLY 22 N -0.14 1.60 0.06 3.28 0.00 -0.71 -0.74 107.32 110.67 3iv6 s GLY 22 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 44.72 43.96 3iv6 s GLY 22 CO 0.00 0.09 1.56 -2.13 0.00 0.00 0.00 173.10 172.62 3iv6 n ARG 23 N -3.57 1.73 0.10 2.90 0.63 -1.23 -4.49 116.66 112.73 3iv6 n ARG 23 Ca 0.07 0.63 -0.02 0.00 -0.92 0.00 0.00 57.85 57.60 3iv6 n ARG 23 Cb 0.58 -2.36 0.21 0.00 0.45 0.00 0.00 32.46 31.35 3iv6 n ARG 23 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3iv6 h VAL 24 N 3.93 1.32 0.00 5.15 2.07 -1.93 -2.15 116.25 124.65 3iv6 h VAL 24 Ca -0.46 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3iv6 h VAL 24 Cb 1.29 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3iv6 h VAL 24 CO 0.87 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.93 3iv6 n ALA 25 N -2.47 1.69 0.95 1.67 0.00 -1.26 -2.95 120.51 118.14 3iv6 n ALA 25 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3iv6 n ALA 25 Cb 0.50 -1.23 0.39 0.00 0.00 0.00 0.00 19.45 19.11 3iv6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iv6 n ALA 26 N -1.45 2.97 -2.54 0.00 0.00 -0.81 -4.63 120.51 114.06 3iv6 n ALA 26 Ca 0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 3iv6 n ALA 26 Cb 0.15 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 3iv6 n ALA 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iv6 s ARG 27 N -3.02 1.95 0.32 0.00 1.70 -1.15 -5.04 118.95 113.71 3iv6 s ARG 27 Ca 0.12 -1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.33 3iv6 s ARG 27 Cb 0.18 -1.87 -0.10 0.00 -0.57 0.00 0.00 34.95 32.58 3iv6 s ARG 27 CO 0.63 0.21 1.38 -2.14 -1.08 0.00 0.00 175.30 174.30 3iv6 s PRO 28 N -3.64 4.28 1.11 3.89 0.02 -1.26 -4.95 135.00 134.45 3iv6 s PRO 28 Ca 0.33 2.31 -0.17 0.00 0.02 0.00 0.00 61.00 63.49 3iv6 s PRO 28 Cb -0.01 -3.06 0.24 0.00 0.02 0.00 0.00 34.50 31.69 3iv6 s PRO 28 CO 0.18 -0.32 1.13 -1.54 -0.33 0.00 0.00 177.00 176.11 3iv6 s SER 29 N -0.18 1.75 0.23 2.53 1.04 -1.26 -4.75 113.70 113.06 3iv6 s SER 29 Ca 0.53 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 3iv6 s SER 29 Cb -0.42 -1.14 0.29 0.00 0.10 0.00 0.00 66.02 64.85 3iv6 s SER 29 CO 0.52 -3.63 1.86 0.44 0.98 0.00 0.00 173.24 173.41 3iv6 h ASP 30 N -2.24 0.85 -0.76 7.02 3.32 -1.99 0.97 116.42 123.59 3iv6 h ASP 30 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3iv6 h ASP 30 Cb 1.30 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 3iv6 h ASP 30 CO 0.43 0.56 0.49 0.03 -1.72 0.00 0.00 179.24 179.04 3iv6 h ARG 31 N 0.99 1.01 0.00 3.56 2.47 -2.00 -2.41 114.38 118.00 3iv6 h ARG 31 Ca 0.35 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 3iv6 h ARG 31 Cb 0.09 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 3iv6 h ARG 31 CO -0.14 0.68 -0.51 0.93 0.56 0.00 0.00 179.97 181.49 3iv6 h GLU 32 N 1.03 0.00 -0.85 0.04 5.08 -1.62 -1.47 114.58 116.79 3iv6 h GLU 32 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3iv6 h GLU 32 Cb -0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3iv6 h GLU 32 CO -0.06 0.51 0.51 -0.91 -1.00 0.00 0.00 179.01 178.06 3iv6 h ASN 33 N 0.00 1.03 -0.26 1.42 2.35 -0.40 -1.11 115.58 118.62 3iv6 h ASN 33 Ca -0.01 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 3iv6 h ASN 33 Cb 0.99 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3iv6 h ASN 33 CO 0.07 0.80 -0.06 0.44 -1.65 0.00 0.00 177.43 177.02 3iv6 h ASP 34 N 1.18 0.50 -0.77 5.81 3.32 -0.94 -2.17 116.42 123.35 3iv6 h ASP 34 Ca 0.31 -0.37 0.08 0.00 0.02 0.00 0.00 57.03 57.07 3iv6 h ASP 34 Cb -0.03 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3iv6 h ASP 34 CO -0.06 0.75 0.43 0.40 -1.72 0.00 0.00 179.24 179.05 3iv6 h ILE 35 N 0.24 0.92 -0.08 0.35 2.04 -1.16 0.31 117.51 120.14 3iv6 h ILE 35 Ca 0.06 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3iv6 h ILE 35 Cb 0.54 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3iv6 h ILE 35 CO 0.03 0.14 -0.03 -0.26 0.00 0.00 0.00 178.15 178.02 3iv6 h PHE 36 N 0.75 0.11 -0.49 1.37 0.04 -1.00 -2.85 116.94 114.88 3iv6 h PHE 36 Ca 0.36 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.13 3iv6 h PHE 36 Cb 0.31 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3iv6 h PHE 36 CO -0.07 0.15 0.00 1.28 -0.60 0.00 0.00 178.31 179.07 3iv6 n LEU 37 N -4.43 3.51 -4.68 1.54 4.77 -0.08 -4.98 117.00 112.64 3iv6 n LEU 37 Ca -0.02 -1.60 -0.44 0.00 -0.03 0.00 0.00 56.01 53.93 3iv6 n LEU 37 Cb 0.16 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3iv6 n LEU 37 CO 0.35 0.80 1.50 -0.62 -1.33 0.00 0.00 177.39 178.09 3iv6 n GLU 38 N 1.48 2.66 -0.94 3.23 1.02 -0.14 -2.00 120.64 125.96 3iv6 n GLU 38 Ca 0.21 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 3iv6 n GLU 38 Cb 0.60 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 3iv6 n GLU 38 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iv6 n ASN 39 N 6.18 -2.83 -4.54 1.62 3.02 -1.26 -5.01 115.26 112.45 3iv6 n ASN 39 Ca 0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 3iv6 n ASN 39 Cb 0.36 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.00 4.85 0.32 2.41 1.01 -0.85 -5.07 121.20 121.87 3iv6 s ILE 40 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.74 3iv6 s ILE 40 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3iv6 s ILE 40 CO 0.00 0.31 0.17 0.68 0.00 0.00 0.00 174.94 176.10 3iv6 s VAL 41 N 1.53 3.41 0.23 2.92 -7.23 -1.26 -5.00 120.40 114.99 3iv6 s VAL 41 Ca 0.06 -1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 3iv6 s VAL 41 Cb -0.15 -3.07 -0.14 0.00 0.56 0.00 0.00 36.38 33.58 3iv6 s VAL 41 CO 0.07 -0.23 1.31 -2.65 -0.31 0.00 0.00 175.10 173.28 3iv6 n PRO 42 N -1.18 1.73 0.00 4.82 -0.02 -1.23 -2.05 135.00 137.07 3iv6 n PRO 42 Ca -0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3iv6 n PRO 42 Cb 0.60 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3iv6 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iv6 n GLY 43 N 2.01 0.95 3.76 -1.23 0.00 0.72 -4.89 105.19 106.51 3iv6 n GLY 43 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3iv6 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iv6 s SER 44 N -2.40 5.71 -0.14 1.61 0.01 -0.87 -4.66 113.70 112.96 3iv6 s SER 44 Ca 0.00 2.54 -0.16 0.00 1.31 0.00 0.00 55.95 59.64 3iv6 s SER 44 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3iv6 s SER 44 CO 0.00 -1.25 0.38 0.42 0.41 0.00 0.00 173.24 173.19 3iv6 s THR 45 N -1.42 5.25 -0.05 1.44 -4.23 -1.26 -0.89 115.64 114.47 3iv6 s THR 45 Ca 0.68 0.74 0.03 0.00 -1.18 0.00 0.00 61.69 61.95 3iv6 s THR 45 Cb -0.35 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.78 3iv6 s THR 45 CO 0.41 0.37 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.04 3iv6 s VAL 46 N 0.47 1.19 -0.16 2.29 1.01 0.46 -2.06 120.40 123.61 3iv6 s VAL 46 Ca 0.21 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3iv6 s VAL 46 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3iv6 s VAL 46 CO 0.07 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3iv6 s ALA 47 N 0.33 3.18 -0.21 5.51 0.00 -0.68 -1.07 121.76 128.82 3iv6 s ALA 47 Ca -0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 3iv6 s ALA 47 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3iv6 s ALA 47 CO 0.03 0.25 0.00 0.08 0.00 0.00 0.00 175.76 176.12 3iv6 s VAL 48 N 0.21 3.95 -0.39 0.00 1.01 0.38 -0.34 120.40 125.21 3iv6 s VAL 48 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3iv6 s VAL 48 Cb -0.13 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3iv6 s VAL 48 CO 0.02 0.42 0.69 -0.63 0.00 0.00 0.00 175.10 175.60 3iv6 s ILE 49 N 1.08 4.81 0.00 2.22 -1.09 -0.34 -0.46 121.20 127.42 3iv6 s ILE 49 Ca 0.02 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 3iv6 s ILE 49 Cb -0.14 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3iv6 s ILE 49 CO 0.02 -0.45 0.00 0.61 -1.23 0.00 0.00 174.94 173.89 3iv6 n GLY 50 N 4.75 2.18 0.00 6.18 0.00 0.50 -4.63 105.19 114.17 3iv6 n GLY 50 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3iv6 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv6 n ALA 51 N 0.00 2.19 0.15 4.61 0.00 -1.26 -2.41 120.51 123.79 3iv6 n ALA 51 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.35 3iv6 n ALA 51 Cb 0.00 -1.35 0.14 0.00 0.00 0.00 0.00 19.45 18.24 3iv6 n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iv6 h SER 52 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.35 113.55 112.89 3iv6 h SER 52 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3iv6 h SER 52 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3iv6 h SER 52 CO 0.00 0.50 1.27 0.41 -0.87 0.00 0.00 176.83 178.13 3iv6 n THR 53 N -3.36 3.04 -0.32 2.95 -1.04 -1.01 -4.64 114.28 109.89 3iv6 n THR 53 Ca 0.01 -1.66 0.14 0.00 -2.04 0.00 0.00 64.05 60.50 3iv6 n THR 53 Cb 0.66 -2.15 0.33 0.00 -1.82 0.00 0.00 70.33 67.36 3iv6 n THR 53 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3iv6 h ARG 54 N 4.25 0.51 0.10 -2.82 1.12 -1.85 -2.12 114.38 113.57 3iv6 h ARG 54 Ca 0.41 -0.03 -0.28 0.00 -1.11 0.00 0.00 59.98 58.96 3iv6 h ARG 54 Cb 0.86 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.70 3iv6 h ARG 54 CO 0.85 0.34 -1.36 0.74 -3.11 0.00 0.00 179.97 177.42 3iv6 h PHE 55 N 0.53 0.39 -0.65 2.20 0.04 -1.96 -2.06 116.94 115.43 3iv6 h PHE 55 Ca 0.59 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 61.12 3iv6 h PHE 55 Cb 1.08 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 3iv6 h PHE 55 CO -0.07 1.27 0.38 1.25 -0.60 0.00 0.00 178.31 180.55 3iv6 h LEU 56 N 0.06 0.59 -0.92 1.54 5.85 -1.84 -0.51 115.31 120.08 3iv6 h LEU 56 Ca -0.17 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3iv6 h LEU 56 Cb 1.97 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3iv6 h LEU 56 CO 0.17 0.40 0.54 0.40 -0.34 0.00 0.00 178.44 179.60 3iv6 h ILE 57 N 0.72 1.26 -0.20 4.05 2.04 -1.22 -1.04 117.51 123.11 3iv6 h ILE 57 Ca 0.28 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3iv6 h ILE 57 Cb 0.11 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3iv6 h ILE 57 CO -0.14 0.28 -0.03 -0.33 0.00 0.00 0.00 178.15 177.93 3iv6 h GLU 58 N 1.28 0.38 -0.62 2.37 5.08 -1.05 -1.12 114.58 120.90 3iv6 h GLU 58 Ca 0.33 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3iv6 h GLU 58 Cb -0.02 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3iv6 h GLU 58 CO -0.06 0.61 0.35 0.87 -1.00 0.00 0.00 179.01 179.78 3iv6 h LYS 59 N 0.12 0.65 -0.02 2.33 1.79 -0.84 0.29 116.57 120.88 3iv6 h LYS 59 Ca 0.05 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3iv6 h LYS 59 Cb 0.45 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3iv6 h LYS 59 CO 0.02 0.43 -0.12 0.00 -1.08 0.00 0.00 179.45 178.69 3iv6 h ALA 60 N 1.31 1.77 -0.07 3.86 0.00 -1.05 -2.13 119.26 122.93 3iv6 h ALA 60 Ca 0.27 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3iv6 h ALA 60 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iv6 h ALA 60 CO -0.15 0.18 -0.16 -0.07 0.00 0.00 0.00 179.25 179.04 3iv6 h LEU 61 N 0.03 0.27 -2.59 0.00 3.38 0.14 -2.67 115.31 113.87 3iv6 h LEU 61 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3iv6 h LEU 61 Cb 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iv6 h LEU 61 CO 0.02 0.80 0.01 -0.08 0.09 0.00 0.00 178.44 179.28 3iv6 h GLU 62 N -0.25 0.00 0.00 1.13 4.81 -0.29 -1.28 114.58 118.70 3iv6 h GLU 62 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iv6 h GLU 62 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3iv6 h GLU 62 CO 0.04 0.00 0.00 -0.09 -0.73 0.00 0.00 179.01 178.23 3iv6 h ARG 63 N 0.00 0.00 0.00 1.92 9.65 -1.31 -3.47 114.38 121.17 3iv6 h ARG 63 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3iv6 h ARG 63 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3iv6 h ARG 63 CO -0.00 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.18 3iv6 n GLY 64 N 0.97 0.95 3.79 2.80 0.00 -0.48 -3.57 105.19 109.65 3iv6 n GLY 64 Ca 0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 2.71 -0.40 4.61 0.00 -1.01 -0.20 121.76 125.47 3iv6 s ALA 65 Ca 0.00 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 3iv6 s ALA 65 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3iv6 s ALA 65 CO 0.00 -0.80 0.82 -1.12 0.00 0.00 0.00 175.76 174.66 3iv6 s SER 66 N -2.46 6.53 -0.16 0.00 0.01 -0.07 -4.68 113.70 112.87 3iv6 s SER 66 Ca 0.66 0.26 -0.05 0.00 1.31 0.00 0.00 55.95 58.14 3iv6 s SER 66 Cb -0.18 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3iv6 s SER 66 CO 0.33 -0.83 0.00 -0.69 0.41 0.00 0.00 173.24 172.46 3iv6 s VAL 67 N 3.29 4.25 -0.09 3.43 1.01 -1.26 -0.40 120.40 130.63 3iv6 s VAL 67 Ca 0.33 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3iv6 s VAL 67 Cb -0.12 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3iv6 s VAL 67 CO 0.20 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.76 3iv6 s THR 68 N 0.22 3.00 -0.15 3.92 2.01 -0.23 -1.81 115.64 122.60 3iv6 s THR 68 Ca 0.00 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3iv6 s THR 68 Cb -0.13 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3iv6 s THR 68 CO 0.02 0.56 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 3iv6 s VAL 69 N -0.19 3.51 -0.13 3.82 1.01 0.15 -0.47 120.40 128.09 3iv6 s VAL 69 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3iv6 s VAL 69 Cb -0.13 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3iv6 s VAL 69 CO 0.03 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.16 3iv6 s PHE 70 N 0.45 2.85 -0.13 5.22 0.08 0.39 -0.69 117.98 126.14 3iv6 s PHE 70 Ca -0.06 -0.56 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 3iv6 s PHE 70 Cb -0.15 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3iv6 s PHE 70 CO 0.04 -0.16 0.41 0.34 -0.10 0.00 0.00 175.22 175.75 3iv6 s ASP 71 N 0.30 -0.41 0.10 1.36 -1.08 -0.97 -0.37 116.67 115.60 3iv6 s ASP 71 Ca -0.09 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 52.93 3iv6 s ASP 71 Cb -0.15 0.76 0.74 0.00 -1.46 0.00 0.00 42.92 42.81 3iv6 s ASP 71 CO 0.05 -0.21 1.63 2.22 0.52 0.00 0.00 175.17 179.38 3iv6 n PHE 72 N 2.53 0.43 -3.27 -5.34 -0.00 -0.91 -1.19 117.46 109.72 3iv6 n PHE 72 Ca -0.15 0.13 -0.41 0.00 -0.00 0.00 0.00 57.45 57.02 3iv6 n PHE 72 Cb 0.57 -0.63 -0.08 0.00 -0.00 0.00 0.00 39.48 39.33 3iv6 n PHE 72 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3iv6 s SER 73 N -3.80 6.32 0.28 5.98 0.15 -1.26 -4.80 113.70 116.56 3iv6 s SER 73 Ca 0.10 0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.86 3iv6 s SER 73 Cb 0.15 -2.26 0.61 0.00 -1.71 0.00 0.00 66.02 62.81 3iv6 s SER 73 CO 0.63 -0.40 1.79 -0.61 1.20 0.00 0.00 173.24 175.85 3iv6 h GLN 74 N 8.35 0.75 -1.39 5.44 5.75 -1.91 -1.84 115.11 130.27 3iv6 h GLN 74 Ca -0.29 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3iv6 h GLN 74 Cb 1.13 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3iv6 h GLN 74 CO 0.74 0.50 0.00 -2.13 -2.65 0.00 0.00 178.83 175.29 3iv6 n ARG 75 N -4.76 0.39 0.00 1.69 0.63 -1.26 -1.45 116.66 111.90 3iv6 n ARG 75 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3iv6 n ARG 75 Cb 0.46 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.08 3iv6 n ARG 75 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3iv6 h ASP 78 N 0.00 0.70 0.14 0.00 3.32 -1.52 -0.33 116.42 118.73 3iv6 h ASP 78 Ca 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 3iv6 h ASP 78 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3iv6 h ASP 78 CO 0.00 0.81 -0.20 0.44 -1.72 0.00 0.00 179.24 178.57 3iv6 h ASP 79 N 0.57 0.13 0.12 6.45 5.19 -0.60 -2.31 116.42 125.97 3iv6 h ASP 79 Ca 0.13 -0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.33 3iv6 h ASP 79 Cb 0.43 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.93 3iv6 h ASP 79 CO 0.01 0.34 -0.76 0.25 -3.12 0.00 0.00 179.24 175.96 3iv6 h LEU 80 N 0.12 0.47 -0.85 1.55 5.85 -1.76 -2.77 115.31 117.91 3iv6 h LEU 80 Ca 0.02 -0.93 0.20 0.00 0.84 0.00 0.00 57.88 58.02 3iv6 h LEU 80 Cb 0.43 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.19 3iv6 h LEU 80 CO 0.03 1.35 0.33 0.00 -0.34 0.00 0.00 178.44 179.82 3iv6 h ALA 81 N 0.12 1.30 -0.11 1.25 0.00 -0.90 -1.34 119.26 119.57 3iv6 h ALA 81 Ca -0.13 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iv6 h ALA 81 Cb 1.58 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3iv6 h ALA 81 CO 0.14 -0.33 0.06 1.49 0.00 0.00 0.00 179.25 180.61 3iv6 h GLU 82 N 0.37 0.15 0.00 0.00 4.81 -1.42 -2.92 114.58 115.57 3iv6 h GLU 82 Ca 0.52 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 3iv6 h GLU 82 Cb 0.95 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 3iv6 h GLU 82 CO -0.52 0.17 -0.08 0.00 -0.73 0.00 0.00 179.01 177.85 3iv6 h ALA 83 N 0.97 1.13 -0.88 2.92 0.00 -0.98 -2.87 119.26 119.55 3iv6 h ALA 83 Ca 0.04 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 3iv6 h ALA 83 Cb 0.06 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 3iv6 h ALA 83 CO -0.01 0.10 -0.42 1.28 0.00 0.00 0.00 179.25 180.20 3iv6 n LEU 84 N -3.38 5.53 0.09 0.00 4.77 -0.73 -4.83 117.00 118.45 3iv6 n LEU 84 Ca -0.01 -4.71 -0.08 0.00 -0.03 0.00 0.00 56.01 51.18 3iv6 n LEU 84 Cb 0.25 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3iv6 n LEU 84 CO 0.28 1.99 0.24 0.00 -1.33 0.00 0.00 177.39 178.57 3iv6 h ALA 85 N 2.20 0.51 0.00 -1.18 0.00 -1.35 -2.37 119.26 117.07 3iv6 h ALA 85 Ca 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iv6 h ALA 85 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iv6 h ALA 85 CO 0.95 0.93 0.00 0.38 0.00 0.00 0.00 179.25 181.52 3iv6 h ASP 86 N 0.10 0.00 -2.41 0.00 2.03 -1.88 -3.46 116.42 110.79 3iv6 h ASP 86 Ca -0.04 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.78 3iv6 h ASP 86 Cb 1.52 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.01 3iv6 h ASP 86 CO 0.13 0.00 -0.37 -0.13 -1.03 0.00 0.00 179.24 177.84 3iv6 s ARG 87 N -3.30 3.46 -0.52 4.15 0.52 -0.89 -5.06 118.95 117.30 3iv6 s ARG 87 Ca 0.06 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 3iv6 s ARG 87 Cb 0.10 -2.84 0.10 0.00 0.52 0.00 0.00 34.95 32.83 3iv6 s ARG 87 CO 0.47 0.37 0.50 0.00 0.02 0.00 0.00 175.30 176.66 3iv6 s VAL 89 N 1.79 0.06 -0.09 0.00 0.11 -1.26 -4.77 120.40 116.24 3iv6 s VAL 89 Ca 0.05 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.63 3iv6 s VAL 89 Cb -0.27 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3iv6 s VAL 89 CO 0.05 -0.25 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.66 3iv6 s THR 90 N -1.40 4.15 -0.10 5.04 2.01 -0.75 -5.04 115.64 119.55 3iv6 s THR 90 Ca -0.13 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 3iv6 s THR 90 Cb -0.05 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.76 3iv6 s THR 90 CO 0.04 0.60 0.05 -0.63 -0.69 0.00 0.00 174.62 173.98 3iv6 s ILE 91 N -0.77 0.12 0.07 1.82 1.01 -1.26 0.30 121.20 122.48 3iv6 s ILE 91 Ca 0.12 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3iv6 s ILE 91 Cb -0.11 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 3iv6 s ILE 91 CO 0.02 0.03 -0.19 -1.81 0.00 0.00 0.00 174.94 172.99 3iv6 s ASP 92 N 2.06 2.26 -0.32 3.58 1.01 0.13 -4.95 116.67 120.45 3iv6 s ASP 92 Ca 0.03 -0.59 -0.29 0.00 0.71 0.00 0.00 52.55 52.41 3iv6 s ASP 92 Cb -0.14 -0.14 0.01 0.00 1.01 0.00 0.00 42.92 43.66 3iv6 s ASP 92 CO -0.06 0.07 1.18 -0.22 0.21 0.00 0.00 175.17 176.34 3iv6 s LEU 93 N -1.55 3.89 -0.15 1.23 2.96 -1.26 -2.28 118.68 121.52 3iv6 s LEU 93 Ca 0.05 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.83 3iv6 s LEU 93 Cb -0.09 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.11 3iv6 s LEU 93 CO 0.03 -0.99 0.54 -0.22 -1.32 0.00 0.00 176.35 174.38 3iv6 s LEU 94 N 4.01 -0.06 -0.27 -0.68 2.96 -0.33 -4.91 118.68 119.40 3iv6 s LEU 94 Ca 0.50 0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 3iv6 s LEU 94 Cb -0.14 1.91 0.02 0.00 0.50 0.00 0.00 46.19 48.48 3iv6 s LEU 94 CO 0.20 -0.30 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.31 3iv6 s ASP 95 N -0.18 4.66 0.00 3.68 2.15 -1.26 -2.13 116.67 123.59 3iv6 s ASP 95 Ca -0.04 -0.78 0.17 0.00 0.43 0.00 0.00 52.55 52.34 3iv6 s ASP 95 Cb -0.03 -1.76 0.91 0.00 -0.30 0.00 0.00 42.92 41.73 3iv6 s ASP 95 CO 0.03 -0.15 1.51 2.30 -0.17 0.00 0.00 175.17 178.69 3iv6 n ILE 96 N 4.76 0.41 0.83 4.11 -6.64 -1.26 -2.08 119.36 119.49 3iv6 n ILE 96 Ca -0.16 0.10 0.12 0.00 -1.77 0.00 0.00 62.75 61.04 3iv6 n ILE 96 Cb 0.48 -0.82 0.18 0.00 -1.44 0.00 0.00 39.64 38.04 3iv6 n ILE 96 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 3iv6 n THR 97 N -1.24 0.11 -2.79 7.28 -2.24 -1.26 -3.49 114.28 110.65 3iv6 n THR 97 Ca 0.09 -0.10 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3iv6 n THR 97 Cb 0.13 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.07 3.43 0.35 6.98 0.00 -0.88 -4.73 121.76 123.84 3iv6 s ALA 98 Ca 0.09 -0.48 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 3iv6 s ALA 98 Cb 0.16 -2.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.60 3iv6 s ALA 98 CO 0.73 -0.21 1.16 -1.91 0.00 0.00 0.00 175.76 175.52 3iv6 n GLU 99 N -1.93 1.75 -2.56 0.00 4.07 -1.26 -4.92 120.64 115.79 3iv6 n GLU 99 Ca 0.00 0.62 -0.42 0.00 -0.06 0.00 0.00 57.16 57.30 3iv6 n GLU 99 Cb 0.55 -2.14 -0.03 0.00 -0.06 0.00 0.00 31.44 29.76 3iv6 n GLU 99 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3iv6 s ILE 100 N -1.12 4.47 0.28 6.31 -1.09 -1.26 -4.99 121.20 123.79 3iv6 s ILE 100 Ca 0.58 1.77 -0.29 0.00 -2.23 0.00 0.00 60.65 60.48 3iv6 s ILE 100 Cb -0.60 -4.14 -0.13 0.00 -1.58 0.00 0.00 42.46 36.01 3iv6 s ILE 100 CO 0.60 0.09 1.22 -2.65 -1.23 0.00 0.00 174.94 172.97 3iv6 n PRO 101 N 4.34 1.75 0.00 2.79 -0.02 -1.26 -4.88 135.00 137.72 3iv6 n PRO 101 Ca 0.08 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 3iv6 n PRO 101 Cb 0.48 -2.14 0.46 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.87 0.46 -0.27 -0.52 1.79 -1.98 -2.40 116.57 116.52 3iv6 h LYS 102 Ca -0.43 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.09 3iv6 h LYS 102 Cb 1.31 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3iv6 h LYS 102 CO 0.66 0.30 0.26 0.93 -1.08 0.00 0.00 179.45 180.53 3iv6 h GLU 103 N 0.47 0.00 0.00 3.15 3.07 -2.04 -2.08 114.58 117.15 3iv6 h GLU 103 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3iv6 h GLU 103 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3iv6 h GLU 103 CO -0.04 0.00 -1.35 1.28 -1.40 0.00 0.00 179.01 177.50 3iv6 n LEU 104 N -3.93 0.51 -4.64 1.33 4.77 -0.91 -4.84 117.00 109.28 3iv6 n LEU 104 Ca 0.04 0.13 -0.55 0.00 -0.03 0.00 0.00 56.01 55.60 3iv6 n LEU 104 Cb 0.41 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3iv6 n LEU 104 CO 0.29 -0.07 1.09 0.00 -1.33 0.00 0.00 177.39 177.38 3iv6 n ALA 105 N -2.12 -0.65 -1.43 -1.18 0.00 -0.78 -1.40 120.51 112.95 3iv6 n ALA 105 Ca -0.01 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 3iv6 n ALA 105 Cb 0.53 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 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 3.27 1.46 0.02 0.00 0.00 -0.72 -4.89 105.19 104.33 3iv6 n GLY 106 Ca 0.22 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3iv6 n GLY 106 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3iv6 n HIS 107 N -2.60 0.21 -4.68 1.61 -0.00 -0.45 -4.60 115.22 104.71 3iv6 n HIS 107 Ca -0.14 0.06 -0.24 0.00 -0.00 0.00 0.00 57.72 57.40 3iv6 n HIS 107 Cb 0.47 -0.45 -0.15 0.00 -0.00 0.00 0.00 29.99 29.86 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 -3.05 1.48 0.16 1.57 0.08 -1.14 -4.96 117.98 112.12 3iv6 s PHE 108 Ca 0.10 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 3iv6 s PHE 108 Cb 0.16 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 3iv6 s PHE 108 CO 0.67 0.01 1.37 -0.44 -0.10 0.00 0.00 175.22 176.72 3iv6 h ASP 109 N 5.45 0.41 -4.65 1.36 3.32 -1.67 -3.38 116.42 117.26 3iv6 h ASP 109 Ca -0.37 -0.31 -0.25 0.00 0.02 0.00 0.00 57.03 56.11 3iv6 h ASP 109 Cb 1.16 -0.12 -0.22 0.00 0.22 0.00 0.00 39.33 40.36 3iv6 h ASP 109 CO 0.47 1.09 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.99 3iv6 s PHE 110 N -3.35 0.49 -0.10 4.55 0.08 -1.10 -1.23 117.98 117.32 3iv6 s PHE 110 Ca -0.05 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.61 3iv6 s PHE 110 Cb 0.10 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 3iv6 s PHE 110 CO 0.84 -0.10 -0.19 0.08 -0.10 0.00 0.00 175.22 175.75 3iv6 s VAL 111 N -1.16 1.74 -0.00 -0.44 1.01 -0.45 -1.69 120.40 119.40 3iv6 s VAL 111 Ca -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3iv6 s VAL 111 Cb -0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3iv6 s VAL 111 CO -0.00 0.49 -0.14 -0.76 0.00 0.00 0.00 175.10 174.69 3iv6 s LEU 112 N 0.64 2.78 -0.12 3.92 1.43 0.53 -0.68 118.68 127.18 3iv6 s LEU 112 Ca -0.13 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 3iv6 s LEU 112 Cb -0.16 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.53 3iv6 s LEU 112 CO 0.04 0.30 0.69 0.54 0.23 0.00 0.00 176.35 178.15 3iv6 s ASN 113 N -1.15 -0.69 -0.26 2.29 2.20 -0.66 -1.20 114.94 115.47 3iv6 s ASN 113 Ca 0.14 0.96 -0.03 0.00 -0.94 0.00 0.00 52.86 52.99 3iv6 s ASN 113 Cb -0.11 0.85 0.02 0.00 -2.00 0.00 0.00 41.25 40.01 3iv6 s ASN 113 CO 0.04 -0.49 -0.01 -0.62 -2.94 0.00 0.00 177.10 173.08 3iv6 s ASP 114 N -0.66 4.61 -1.38 3.54 2.15 -1.26 -1.75 116.67 121.92 3iv6 s ASP 114 Ca -0.07 -0.80 -0.09 0.00 0.43 0.00 0.00 52.55 52.01 3iv6 s ASP 114 Cb -0.02 -1.74 0.06 0.00 -0.30 0.00 0.00 42.92 40.92 3iv6 s ASP 114 CO 0.07 -0.15 0.57 0.54 -0.17 0.00 0.00 175.17 176.04 3iv6 n ARG 115 N 4.74 -3.96 0.05 4.34 1.74 -0.46 -4.85 116.66 118.26 3iv6 n ARG 115 Ca -0.16 0.58 -0.20 0.00 -0.77 0.00 0.00 57.85 57.30 3iv6 n ARG 115 Cb 0.47 -5.35 -0.14 0.00 -1.02 0.00 0.00 32.46 26.42 3iv6 n ARG 115 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3iv6 h LEU 116 N -1.19 0.49 -2.10 0.55 5.85 -1.84 -3.18 115.31 113.88 3iv6 h LEU 116 Ca -0.47 -0.80 0.06 0.00 0.84 0.00 0.00 57.88 57.52 3iv6 h LEU 116 Cb 1.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3iv6 h LEU 116 CO 0.56 1.68 0.33 0.40 -0.34 0.00 0.00 178.44 181.07 3iv6 h ILE 117 N 0.08 0.28 0.00 4.05 2.04 -1.89 -0.07 117.51 122.01 3iv6 h ILE 117 Ca -0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3iv6 h ILE 117 Cb 2.06 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3iv6 h ILE 117 CO 0.15 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.89 3iv6 n ASN 118 N -3.48 0.00 -1.06 1.72 4.13 -1.20 -2.86 115.26 112.50 3iv6 n ASN 118 Ca 0.03 -0.07 0.08 0.00 1.68 0.00 0.00 54.58 56.30 3iv6 n ASN 118 Cb 0.45 -0.24 0.28 0.00 -1.54 0.00 0.00 39.78 38.73 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 -1.24 3.21 -4.22 3.52 3.00 -0.04 -4.68 116.66 116.22 3iv6 n ARG 119 Ca 0.10 -2.91 -0.15 0.00 -0.01 0.00 0.00 57.85 54.88 3iv6 n ARG 119 Cb 0.13 -1.92 -0.11 0.00 0.00 0.00 0.00 32.46 30.57 3iv6 n ARG 119 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3iv6 s PHE 120 N -2.84 1.20 0.85 -1.55 0.08 -1.14 -4.96 117.98 109.62 3iv6 s PHE 120 Ca 0.44 -0.68 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 3iv6 s PHE 120 Cb 0.36 -0.63 0.10 0.00 -0.57 0.00 0.00 43.02 42.28 3iv6 s PHE 120 CO 0.10 0.05 1.19 0.95 -0.10 0.00 0.00 175.22 177.42 3iv6 s THR 121 N -2.76 2.00 0.13 0.64 -4.23 -1.26 -1.31 115.64 108.84 3iv6 s THR 121 Ca 0.11 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 3iv6 s THR 121 Cb -0.01 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3iv6 s THR 121 CO 0.01 0.00 1.65 0.74 -0.54 0.00 0.00 174.62 176.47 3iv6 h THR 122 N -1.20 0.47 0.00 3.99 2.02 -1.96 0.20 112.91 116.44 3iv6 h THR 122 Ca -0.46 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 3iv6 h THR 122 Cb 1.32 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3iv6 h THR 122 CO 0.61 0.00 -0.21 1.05 0.37 0.00 0.00 175.52 177.34 3iv6 h GLU 123 N -0.33 0.00 -0.10 6.66 4.11 -2.00 -1.92 114.58 121.00 3iv6 h GLU 123 Ca 0.07 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.28 3iv6 h GLU 123 Cb 0.43 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3iv6 h GLU 123 CO -0.23 0.21 -0.82 0.93 0.07 0.00 0.00 179.01 179.17 3iv6 h GLU 124 N 0.00 0.66 -0.03 1.06 5.08 -1.82 -3.02 114.58 116.50 3iv6 h GLU 124 Ca -0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 3iv6 h GLU 124 Cb 0.40 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3iv6 h GLU 124 CO 0.03 1.19 -0.22 0.00 -1.00 0.00 0.00 179.01 179.00 3iv6 h ALA 125 N 0.64 1.57 -0.10 3.43 0.00 0.08 0.02 119.26 124.90 3iv6 h ALA 125 Ca -0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3iv6 h ALA 125 Cb 1.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3iv6 h ALA 125 CO 0.16 0.32 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 3iv6 h ARG 126 N 0.05 0.38 -0.48 0.00 3.08 -1.37 -0.43 114.38 115.60 3iv6 h ARG 126 Ca 0.01 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 59.82 3iv6 h ARG 126 Cb 0.43 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 3iv6 h ARG 126 CO 0.03 0.90 0.23 0.00 -1.07 0.00 0.00 179.97 180.06 3iv6 h ARG 127 N -0.06 0.44 -0.08 0.04 3.08 -1.38 -1.38 114.38 115.04 3iv6 h ARG 127 Ca -0.01 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3iv6 h ARG 127 Cb 0.93 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3iv6 h ARG 127 CO 0.07 0.29 -0.08 0.00 -1.07 0.00 0.00 179.97 179.17 3iv6 h ALA 128 N 1.28 -0.02 -0.97 0.04 0.00 -0.88 -0.75 119.26 117.95 3iv6 h ALA 128 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iv6 h ALA 128 Cb 0.15 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3iv6 h ALA 128 CO -0.17 -0.55 0.62 0.00 0.00 0.00 0.00 179.25 179.15 3iv6 h LEU 130 N 1.32 1.00 -1.63 0.00 5.85 -0.90 -1.77 115.31 119.19 3iv6 h LEU 130 Ca 0.35 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3iv6 h LEU 130 Cb -0.12 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.70 3iv6 h LEU 130 CO -0.07 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 3iv6 n GLY 131 N -1.38 0.73 0.34 3.75 0.00 -0.28 -1.38 105.19 106.97 3iv6 n GLY 131 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.61 0.00 -0.18 0.99 4.77 -0.67 -1.49 117.00 121.04 3iv6 n LEU 133 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3iv6 n LEU 133 Cb 0.16 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3iv6 n LEU 133 CO 0.00 0.00 0.70 -1.28 -1.33 0.00 0.00 177.39 175.48 3iv6 h SER 134 N 0.00 -0.76 -0.56 -1.43 0.87 -1.48 -2.08 113.55 108.10 3iv6 h SER 134 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3iv6 h SER 134 Cb 0.00 0.43 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3iv6 h SER 134 CO 0.00 -0.24 0.36 -0.07 -0.53 0.00 0.00 176.83 176.35 3iv6 h LEU 135 N -0.08 0.66 0.00 2.23 3.38 -1.53 -1.90 115.31 118.06 3iv6 h LEU 135 Ca 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iv6 h LEU 135 Cb 0.48 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3iv6 h LEU 135 CO -0.61 0.49 -0.09 1.33 0.09 0.00 0.00 178.44 179.65 3iv6 n VAL 136 N -4.68 0.55 0.00 1.22 0.24 -0.81 -1.34 118.33 113.51 3iv6 n VAL 136 Ca 0.04 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3iv6 n VAL 136 Cb 0.03 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 3iv6 n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iv6 n GLY 137 N 1.32 2.40 0.24 7.63 0.00 -1.05 0.71 105.19 116.42 3iv6 n GLY 137 Ca 0.05 0.37 0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 7.79 0.69 -2.34 1.61 3.41 -1.26 -4.63 113.62 118.89 3iv6 n SER 138 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3iv6 n SER 138 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.77 -0.89 3.52 5.00 0.00 0.22 -4.89 105.19 108.92 3iv6 n GLY 139 Ca 0.07 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.56 3.22 -0.12 2.61 2.01 -0.37 -4.56 115.64 117.87 3iv6 s THR 140 Ca 0.00 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 3iv6 s THR 140 Cb 0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3iv6 s THR 140 CO 0.00 0.38 0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 3iv6 s VAL 141 N -0.94 4.46 -0.29 3.82 1.01 -0.15 -1.34 120.40 126.96 3iv6 s VAL 141 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3iv6 s VAL 141 Cb -0.11 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.42 3iv6 s VAL 141 CO 0.06 0.55 -0.04 -0.13 0.00 0.00 0.00 175.10 175.55 3iv6 s ARG 142 N -0.38 1.86 -0.11 2.72 3.00 0.15 -1.31 118.95 124.88 3iv6 s ARG 142 Ca 0.08 -1.53 0.01 0.00 0.00 0.00 0.00 55.73 54.29 3iv6 s ARG 142 Cb -0.12 -2.98 0.02 0.00 0.00 0.00 0.00 34.95 31.87 3iv6 s ARG 142 CO 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 175.30 174.47 3iv6 s ALA 143 N 1.05 1.49 0.08 2.13 0.00 -0.49 -1.65 121.76 124.39 3iv6 s ALA 143 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 3iv6 s ALA 143 Cb -0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 3iv6 s ALA 143 CO -0.07 -0.21 0.32 -1.54 0.00 0.00 0.00 175.76 174.26 3iv6 s SER 144 N 1.26 6.49 -0.06 0.00 1.04 -0.72 -1.22 113.70 120.50 3iv6 s SER 144 Ca -0.02 0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.98 3iv6 s SER 144 Cb -0.14 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 63.92 3iv6 s SER 144 CO -0.04 0.14 -0.10 -0.69 0.98 0.00 0.00 173.24 173.52 3iv6 s VAL 145 N -1.51 1.00 0.05 5.02 1.01 -1.26 -1.35 120.40 123.36 3iv6 s VAL 145 Ca 0.35 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3iv6 s VAL 145 Cb -0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 3iv6 s VAL 145 CO 0.22 0.33 1.34 -0.75 0.00 0.00 0.00 175.10 176.24 3iv6 s LYS 146 N 0.77 4.33 0.05 2.72 2.47 -1.26 -4.46 119.74 124.36 3iv6 s LYS 146 Ca -0.13 1.94 0.00 0.00 -1.56 0.00 0.00 55.97 56.23 3iv6 s LYS 146 Cb -0.15 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 3iv6 s LYS 146 CO 0.02 -0.44 0.17 -0.51 0.16 0.00 0.00 175.35 174.75 3iv6 s LEU 147 N 1.61 4.21 0.00 5.43 1.43 -0.45 -4.56 118.68 126.35 3iv6 s LEU 147 Ca 0.62 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 3iv6 s LEU 147 Cb -0.33 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.15 3iv6 s LEU 147 CO 0.28 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.67 3iv6 n GLY 148 N 0.52 -1.68 3.80 -3.19 0.00 0.24 -4.87 105.19 100.00 3iv6 n GLY 148 Ca -0.07 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 3.79 0.82 1.61 0.08 -1.26 -4.50 117.98 118.51 3iv6 s PHE 149 Ca 0.00 1.45 -0.12 0.00 0.12 0.00 0.00 56.93 58.38 3iv6 s PHE 149 Cb 0.00 -2.64 0.08 0.00 -0.57 0.00 0.00 43.02 39.89 3iv6 s PHE 149 CO 0.00 0.47 1.10 0.71 -0.10 0.00 0.00 175.22 177.40 3iv6 s TYR 150 N -1.28 2.73 0.12 0.36 2.02 -1.26 -4.93 117.35 115.11 3iv6 s TYR 150 Ca 0.37 1.14 -0.25 0.00 -0.37 0.00 0.00 57.07 57.95 3iv6 s TYR 150 Cb -0.20 -3.15 -0.05 0.00 -0.40 0.00 0.00 41.96 38.16 3iv6 s TYR 150 CO 0.23 -1.91 1.64 -0.44 -1.57 0.00 0.00 175.55 173.50 3iv6 h ASP 151 N -1.19 -0.70 -0.46 2.29 3.32 -2.00 -1.80 116.42 115.88 3iv6 h ASP 151 Ca -0.48 0.10 0.13 0.00 0.02 0.00 0.00 57.03 56.80 3iv6 h ASP 151 Cb 1.28 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 41.09 3iv6 h ASP 151 CO 0.59 -0.30 0.36 -0.29 -1.72 0.00 0.00 179.24 177.87 3iv6 h ILE 152 N -0.37 0.67 -0.55 0.35 2.10 -1.94 0.18 117.51 117.94 3iv6 h ILE 152 Ca 0.06 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.91 3iv6 h ILE 152 Cb 0.45 0.74 -0.02 0.00 -1.09 0.00 0.00 36.82 36.91 3iv6 h ILE 152 CO -0.21 0.00 -0.01 0.44 -1.08 0.00 0.00 178.15 177.29 3iv6 h ASP 153 N 0.00 0.96 -0.19 2.19 3.32 -1.68 0.50 116.42 121.52 3iv6 h ASP 153 Ca 0.22 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3iv6 h ASP 153 Cb 0.93 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3iv6 h ASP 153 CO -0.00 1.04 0.05 -0.07 -1.72 0.00 0.00 179.24 178.54 3iv6 h LEU 154 N 0.86 0.34 0.16 1.55 3.38 -0.68 -0.00 115.31 120.91 3iv6 h LEU 154 Ca 0.15 -0.04 -0.32 0.00 0.09 0.00 0.00 57.88 57.77 3iv6 h LEU 154 Cb 0.55 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3iv6 h LEU 154 CO 0.03 0.35 -1.55 0.11 0.09 0.00 0.00 178.44 177.48 3iv6 h LYS 155 N 0.37 0.35 -0.36 1.13 1.57 -1.42 -1.54 116.57 116.66 3iv6 h LYS 155 Ca 0.09 -0.59 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3iv6 h LYS 155 Cb 0.16 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3iv6 h LYS 155 CO -0.00 1.24 0.16 -0.07 -0.57 0.00 0.00 179.45 180.22 3iv6 h LEU 156 N 0.09 0.23 -0.26 2.94 3.38 -0.67 0.31 115.31 121.34 3iv6 h LEU 156 Ca -0.26 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3iv6 h LEU 156 Cb 2.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 3iv6 h LEU 156 CO 0.19 0.17 0.01 0.40 0.09 0.00 0.00 178.44 179.30 3iv6 h ILE 157 N 0.34 1.25 0.25 1.22 2.04 -1.02 0.58 117.51 122.18 3iv6 h ILE 157 Ca 0.16 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3iv6 h ILE 157 Cb 0.09 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3iv6 h ILE 157 CO -0.12 0.28 -0.14 -0.08 0.00 0.00 0.00 178.15 178.09 3iv6 h GLU 158 N 0.24 -0.34 -0.54 2.37 4.81 -1.15 -1.66 114.58 118.30 3iv6 h GLU 158 Ca 0.07 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.48 3iv6 h GLU 158 Cb 0.40 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3iv6 h GLU 158 CO 0.01 -0.23 0.47 1.88 -0.73 0.00 0.00 179.01 180.41 3iv6 h TYR 159 N -0.36 0.00 -0.09 0.92 0.05 -1.03 -2.36 116.97 114.09 3iv6 h TYR 159 Ca -0.03 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.62 3iv6 h TYR 159 Cb 0.28 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.02 3iv6 h TYR 159 CO 0.11 0.00 -0.41 0.78 -1.05 0.00 0.00 178.16 177.59 3iv6 h GLY 160 N 0.00 0.49 1.54 3.88 0.00 -0.72 -3.19 103.07 105.07 3iv6 h GLY 160 Ca 0.26 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3iv6 h GLY 160 CO -0.00 0.60 0.01 0.83 0.00 0.00 0.00 176.54 177.98 3iv6 h GLU 161 N 0.01 0.57 -0.20 4.80 5.08 -0.81 -1.78 114.58 122.24 3iv6 h GLU 161 Ca -0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3iv6 h GLU 161 Cb 1.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3iv6 h GLU 161 CO 0.09 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.73 3iv6 n GLN 162 N -4.27 0.62 0.00 2.33 6.02 -0.93 -1.55 117.38 119.59 3iv6 n GLN 162 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3iv6 n GLN 162 Cb 0.25 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.41 3iv6 n GLN 162 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3iv6 n SER 163 N -0.27 0.15 -2.33 1.08 7.64 -0.90 -4.96 113.62 114.03 3iv6 n SER 163 Ca 0.00 -1.06 -0.06 0.00 1.01 0.00 0.00 58.87 58.75 3iv6 n SER 163 Cb 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3iv6 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iv6 n GLY 164 N -0.03 -0.38 0.77 0.23 0.00 -0.59 -4.76 105.19 100.43 3iv6 n GLY 164 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3iv6 n GLY 164 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3iv6 n THR 165 N -2.79 0.02 -0.03 2.61 5.66 -0.72 -4.69 114.28 114.34 3iv6 n THR 165 Ca -0.07 -0.51 -0.10 0.00 -3.05 0.00 0.00 64.05 60.32 3iv6 n THR 165 Cb 0.52 1.38 -0.04 0.00 -1.55 0.00 0.00 70.33 70.64 3iv6 n THR 165 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3iv6 h LEU 166 N 3.75 0.11 -0.93 1.09 5.85 -1.82 -2.27 115.31 121.10 3iv6 h LEU 166 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iv6 h LEU 166 Cb 0.80 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3iv6 h LEU 166 CO 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 3iv6 n ALA 167 N -2.18 1.12 0.21 1.25 0.00 -1.26 -1.18 120.51 118.46 3iv6 n ALA 167 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3iv6 n ALA 167 Cb 0.05 -1.24 0.45 0.00 0.00 0.00 0.00 19.45 18.71 3iv6 n ALA 167 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3iv6 h LYS 168 N 0.00 0.00 0.00 0.00 1.57 -1.74 -3.38 116.57 113.02 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 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3iv6 h LYS 168 CO 0.00 0.28 0.00 1.97 -0.57 0.00 0.00 179.45 181.13 3iv6 n PHE 169 N -3.55 0.00 -3.59 -1.35 -1.74 -0.33 -4.89 117.46 102.01 3iv6 n PHE 169 Ca -0.01 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.64 3iv6 n PHE 169 Cb 0.43 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.26 3iv6 n PHE 169 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 3iv6 s PHE 170 N 0.00 0.10 -0.33 2.97 5.36 -0.66 -0.33 117.98 125.08 3iv6 s PHE 170 Ca 0.00 -0.17 -0.18 0.00 -0.96 0.00 0.00 56.93 55.61 3iv6 s PHE 170 Cb 0.00 -0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 3iv6 s PHE 170 CO 0.00 -0.51 0.53 0.34 -1.46 0.00 0.00 175.22 174.12 3iv6 s ASP 171 N 2.18 6.35 0.00 6.13 3.68 -0.98 -4.54 116.67 129.49 3iv6 s ASP 171 Ca 0.03 0.11 0.21 0.00 2.13 0.00 0.00 52.55 55.04 3iv6 s ASP 171 Cb -0.16 -2.28 1.03 0.00 -1.45 0.00 0.00 42.92 40.06 3iv6 s ASP 171 CO -0.09 -0.45 1.68 -2.65 0.13 0.00 0.00 175.17 173.79 3iv6 n PRO 172 N 5.74 0.22 0.17 4.34 -0.02 -1.26 -1.04 135.00 143.15 3iv6 n PRO 172 Ca -0.04 0.10 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3iv6 n PRO 172 Cb 0.49 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.83 3iv6 n PRO 172 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iv6 h SER 173 N 0.00 0.05 0.00 2.55 4.64 -1.97 -3.27 113.55 115.54 3iv6 h SER 173 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3iv6 h SER 173 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3iv6 h SER 173 CO 0.00 0.38 0.00 -0.90 -0.87 0.00 0.00 176.83 175.44 3iv6 n ASP 174 N -4.13 0.00 -2.57 4.97 5.75 -1.25 -5.06 116.55 114.27 3iv6 n ASP 174 Ca -0.02 -1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 53.66 3iv6 n ASP 174 Cb 0.39 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.53 3iv6 n ASP 174 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3iv6 n LYS 175 N 0.00 -2.89 -4.26 0.11 5.02 -0.21 -4.27 118.16 111.65 3iv6 n LYS 175 Ca 0.00 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.49 3iv6 n LYS 175 Cb 0.50 -4.45 -0.11 0.00 -0.02 0.00 0.00 35.03 30.95 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 -3.24 4.30 -0.11 -0.18 2.01 -0.89 -1.35 115.64 116.19 3iv6 s THR 176 Ca 0.14 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 3iv6 s THR 176 Cb -0.02 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 3iv6 s THR 176 CO 0.47 0.51 0.20 -0.36 -0.69 0.00 0.00 174.62 174.75 3iv6 s PHE 177 N 0.03 3.60 -0.57 4.92 0.08 0.35 -2.32 117.98 124.06 3iv6 s PHE 177 Ca 0.03 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 57.66 3iv6 s PHE 177 Cb -0.13 -2.06 0.15 0.00 -0.57 0.00 0.00 43.02 40.41 3iv6 s PHE 177 CO 0.02 0.64 0.37 -1.58 -0.10 0.00 0.00 175.22 174.57 3iv6 s HIS 178 N -0.80 3.44 0.07 0.36 5.65 0.55 -1.61 115.29 122.95 3iv6 s HIS 178 Ca 0.16 -2.69 -0.29 0.00 0.25 0.00 0.00 55.06 52.49 3iv6 s HIS 178 Cb -0.13 -3.18 -0.18 0.00 -1.18 0.00 0.00 32.58 27.92 3iv6 s HIS 178 CO 0.05 -0.86 1.64 0.74 -0.65 0.00 0.00 174.74 175.65 3iv6 h PHE 179 N 7.22 -0.56 -1.22 3.88 0.04 -1.80 -1.92 116.94 122.58 3iv6 h PHE 179 Ca -0.04 -0.01 0.35 0.00 2.80 0.00 0.00 57.97 61.06 3iv6 h PHE 179 Cb 0.97 0.18 -0.08 0.00 2.20 0.00 0.00 35.95 39.22 3iv6 h PHE 179 CO 0.66 -0.33 0.83 -0.09 -0.60 0.00 0.00 178.31 178.78 3iv6 h ARG 180 N -0.62 0.15 -0.80 1.51 2.43 -1.78 -0.54 114.38 114.73 3iv6 h ARG 180 Ca -0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3iv6 h ARG 180 Cb 0.47 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3iv6 h ARG 180 CO 0.10 0.10 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 3iv6 n GLU 181 N -4.41 2.93 -0.06 0.20 -0.58 -0.72 -3.20 120.64 114.80 3iv6 n GLU 181 Ca 0.29 -1.56 0.09 0.00 -0.42 0.00 0.00 57.16 55.56 3iv6 n GLU 181 Cb 1.21 -1.88 0.11 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.30 2.43 -0.42 0.62 0.00 -0.21 -4.31 120.51 118.92 3iv6 n ALA 182 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3iv6 n ALA 182 Cb 0.72 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 0.99 3.04 0.25 0.00 0.00 -1.19 -0.57 105.19 107.71 3iv6 n GLY 183 Ca 0.12 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3iv6 n GLY 183 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iv6 h ASP 184 N 0.00 0.00 -0.69 1.61 3.45 -1.96 -2.14 116.42 116.69 3iv6 h ASP 184 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3iv6 h ASP 184 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3iv6 h ASP 184 CO 0.00 0.09 0.44 0.58 -1.57 0.00 0.00 179.24 178.79 3iv6 h VAL 185 N 0.00 1.19 0.42 -1.35 2.07 -1.22 -2.54 116.25 114.81 3iv6 h VAL 185 Ca -0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3iv6 h VAL 185 Cb 0.19 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3iv6 h VAL 185 CO 0.01 0.19 -0.42 0.25 0.02 0.00 0.00 177.57 177.62 3iv6 h LEU 186 N 0.95 -1.14 -1.18 2.57 5.85 -1.42 -2.12 115.31 118.82 3iv6 h LEU 186 Ca 0.25 0.09 0.26 0.00 0.84 0.00 0.00 57.88 59.32 3iv6 h LEU 186 Cb -0.08 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 3iv6 h LEU 186 CO -0.05 -0.55 0.63 0.44 -0.34 0.00 0.00 178.44 178.57 3iv6 h ASP 187 N -0.83 0.57 1.21 1.25 5.19 -1.61 0.62 116.42 122.81 3iv6 h ASP 187 Ca -0.05 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3iv6 h ASP 187 Cb 0.72 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.25 3iv6 h ASP 187 CO -0.05 0.10 0.00 -0.09 -3.12 0.00 0.00 179.24 176.08 3iv6 h ARG 188 N 0.49 0.00 -0.00 3.56 2.43 -1.03 -3.21 114.38 116.62 3iv6 h ARG 188 Ca 0.62 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3iv6 h ARG 188 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3iv6 h ARG 188 CO -0.38 0.00 -0.37 0.00 -1.51 0.00 0.00 179.97 177.71 3iv6 n ALA 189 N -1.82 3.12 -1.62 2.80 0.00 0.15 -5.00 120.51 118.14 3iv6 n ALA 189 Ca 0.04 -0.34 -0.49 0.00 0.00 0.00 0.00 53.44 52.65 3iv6 n ALA 189 Cb 0.36 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 3iv6 n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iv6 n LEU 190 N -0.86 2.19 -4.83 0.00 4.77 -0.81 -4.66 117.00 112.80 3iv6 n LEU 190 Ca 0.03 1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 56.91 3iv6 n LEU 190 Cb 0.18 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 3iv6 n LEU 190 CO 0.17 -0.85 -0.16 0.68 -1.33 0.00 0.00 177.39 175.91 3iv6 s VAL 191 N 0.32 4.29 0.52 4.08 -7.23 -1.26 -5.05 120.40 116.06 3iv6 s VAL 191 Ca 0.78 -1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 3iv6 s VAL 191 Cb -0.81 -3.36 -0.06 0.00 0.56 0.00 0.00 36.38 32.70 3iv6 s VAL 191 CO 0.47 -0.32 1.13 -2.84 -0.31 0.00 0.00 175.10 173.23 3iv6 s PRO 192 N -3.86 3.47 -0.58 4.82 0.02 -1.26 -5.00 135.00 132.60 3iv6 s PRO 192 Ca 0.34 1.64 0.05 0.00 0.02 0.00 0.00 61.00 63.05 3iv6 s PRO 192 Cb -0.07 -2.11 0.20 0.00 0.02 0.00 0.00 34.50 32.53 3iv6 s PRO 192 CO 0.25 -0.76 0.51 1.58 -0.33 0.00 0.00 177.00 178.25 3iv6 n HIS 193 N -1.09 1.83 0.00 6.54 -0.00 -1.26 -4.91 115.22 116.33 3iv6 n HIS 193 Ca 0.10 -3.93 0.00 0.00 0.46 0.00 0.00 57.72 54.35 3iv6 n HIS 193 Cb 0.50 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 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 1.89 4.09 0.48 1.57 0.00 -1.26 -2.28 105.19 109.68 3iv6 n GLY 194 Ca 0.25 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.38 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 2.77 -4.70 0.99 4.77 0.09 -4.91 117.00 116.01 3iv6 n LEU 195 Ca 0.00 -2.17 -0.42 0.00 -0.03 0.00 0.00 56.01 53.39 3iv6 n LEU 195 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3iv6 n LEU 195 CO 0.00 0.66 1.16 -0.63 -1.33 0.00 0.00 177.39 177.25 3iv6 s ILE 196 N -1.30 3.28 0.44 -0.08 1.01 -0.97 -4.98 121.20 118.60 3iv6 s ILE 196 Ca 0.20 0.82 -0.23 0.00 0.00 0.00 0.00 60.65 61.44 3iv6 s ILE 196 Cb 0.12 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 3iv6 s ILE 196 CO 0.10 0.03 1.09 1.51 0.00 0.00 0.00 174.94 177.67 3iv6 s ASP 197 N 1.62 6.47 0.43 3.58 1.47 -1.26 -4.57 116.67 124.40 3iv6 s ASP 197 Ca 0.67 2.11 0.19 0.00 1.18 0.00 0.00 52.55 56.70 3iv6 s ASP 197 Cb -0.37 -2.59 1.13 0.00 -0.34 0.00 0.00 42.92 40.76 3iv6 s ASP 197 CO 0.30 -0.70 1.83 0.11 0.68 0.00 0.00 175.17 177.39 3iv6 h LYS 198 N 2.16 0.35 -0.39 2.11 1.57 -1.99 -1.59 116.57 118.79 3iv6 h LYS 198 Ca -0.49 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 3iv6 h LYS 198 Cb 1.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3iv6 h LYS 198 CO 0.61 0.23 0.15 -1.35 -0.57 0.00 0.00 179.45 178.52 3iv6 h PRO 199 N 0.36 0.59 -0.07 3.15 0.11 -1.99 -0.96 132.00 133.19 3iv6 h PRO 199 Ca 0.50 -0.11 0.02 0.00 0.11 0.00 0.00 66.00 66.53 3iv6 h PRO 199 Cb 1.34 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3iv6 h PRO 199 CO -0.19 0.57 -0.06 1.15 -0.21 0.00 0.00 178.00 179.25 3iv6 h THR 200 N 0.48 0.81 -0.88 -1.15 2.02 -1.71 -0.61 112.91 111.87 3iv6 h THR 200 Ca 0.13 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.35 3iv6 h THR 200 Cb 0.20 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 3iv6 h THR 200 CO -0.01 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.38 3iv6 h LEU 201 N -0.08 0.93 0.06 2.58 3.38 -1.14 -0.46 115.31 120.59 3iv6 h LEU 201 Ca 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iv6 h LEU 201 Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iv6 h LEU 201 CO -0.12 0.63 -0.03 0.25 0.09 0.00 0.00 178.44 179.26 3iv6 h LEU 202 N 1.08 -0.07 -1.18 1.67 5.85 -1.07 -0.11 115.31 121.49 3iv6 h LEU 202 Ca 0.36 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3iv6 h LEU 202 Cb 0.04 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3iv6 h LEU 202 CO -0.13 0.33 0.08 -0.08 -0.34 0.00 0.00 178.44 178.31 3iv6 h GLU 203 N -0.48 0.66 -0.29 1.25 4.57 -0.94 -1.58 114.58 117.77 3iv6 h GLU 203 Ca -0.01 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3iv6 h GLU 203 Cb 0.42 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3iv6 h GLU 203 CO 0.01 0.62 0.13 2.35 -1.18 0.00 0.00 179.01 180.94 3iv6 h TRP 204 N 0.64 0.24 -0.46 0.92 7.01 -0.91 0.60 115.95 123.99 3iv6 h TRP 204 Ca 0.14 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.04 3iv6 h TRP 204 Cb 0.28 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 3iv6 h TRP 204 CO 0.01 0.13 -0.16 1.88 -2.79 0.00 0.00 178.44 177.51 3iv6 h TYR 205 N 0.28 0.99 -0.17 2.65 0.05 -0.79 -1.58 116.97 118.40 3iv6 h TYR 205 Ca 0.12 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3iv6 h TYR 205 Cb 0.06 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3iv6 h TYR 205 CO -0.11 0.97 0.09 0.00 -1.05 0.00 0.00 178.16 178.07 3iv6 h ARG 206 N 0.78 0.24 0.00 4.88 -0.00 -1.06 -2.53 114.38 116.69 3iv6 h ARG 206 Ca 0.12 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 3iv6 h ARG 206 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.61 3iv6 h ARG 206 CO 0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.97 180.25 3iv6 h ARG 207 N 0.17 0.00 0.00 0.04 3.08 -0.78 -3.03 114.38 113.87 3iv6 h ARG 207 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3iv6 h ARG 207 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3iv6 h ARG 207 CO -0.01 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.67 3iv6 h ARG 208 N 0.00 0.00 0.00 0.04 3.08 -0.83 -3.39 114.38 113.28 3iv6 h ARG 208 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iv6 h ARG 208 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3iv6 h ARG 208 CO 0.00 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 3iv6 n GLY 209 N 0.44 1.57 3.76 0.04 0.00 -1.14 -4.78 105.19 105.08 3iv6 n GLY 209 Ca 0.01 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 3.24 -0.02 1.61 1.02 -1.26 -2.94 119.74 121.40 3iv6 s LYS 210 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.71 3iv6 s LYS 210 Cb 0.00 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3iv6 s LYS 210 CO 0.00 0.71 0.02 -1.21 -0.92 0.00 0.00 175.35 173.94 3iv6 s GLU 211 N -0.86 0.10 0.10 1.68 2.02 -0.63 -4.04 118.70 117.06 3iv6 s GLU 211 Ca 0.13 0.13 -0.21 0.00 0.02 0.00 0.00 54.97 55.04 3iv6 s GLU 211 Cb -0.12 -0.33 -0.07 0.00 0.10 0.00 0.00 34.13 33.72 3iv6 s GLU 211 CO 0.03 -0.14 0.64 0.99 0.02 0.00 0.00 175.26 176.79 3iv6 s THR 212 N 0.99 4.64 0.12 3.63 2.01 -0.43 -0.50 115.64 126.10 3iv6 s THR 212 Ca -0.09 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.17 3iv6 s THR 212 Cb -0.12 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 3iv6 s THR 212 CO -0.02 0.53 0.47 -0.13 -0.69 0.00 0.00 174.62 174.78 3iv6 s ARG 213 N -1.05 3.84 0.01 4.92 1.81 -0.46 -4.84 118.95 123.18 3iv6 s ARG 213 Ca 0.31 0.28 0.08 0.00 -1.72 0.00 0.00 55.73 54.68 3iv6 s ARG 213 Cb -0.21 -2.94 -0.02 0.00 -0.45 0.00 0.00 34.95 31.34 3iv6 s ARG 213 CO 0.21 0.51 -0.24 -0.06 -0.68 0.00 0.00 175.30 175.04 3iv6 s PHE 214 N -1.47 2.09 0.37 -0.53 0.08 -1.26 -4.81 117.98 112.45 3iv6 s PHE 214 Ca 0.36 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.09 3iv6 s PHE 214 Cb -0.14 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3iv6 s PHE 214 CO 0.19 0.03 0.43 -0.51 -0.10 0.00 0.00 175.22 175.26 3iv6 s ASP 215 N -0.86 5.54 0.19 1.36 1.01 -1.26 0.79 116.67 123.44 3iv6 s ASP 215 Ca 0.09 -0.43 -0.16 0.00 0.71 0.00 0.00 52.55 52.76 3iv6 s ASP 215 Cb -0.09 -0.90 0.18 0.00 1.01 0.00 0.00 42.92 43.11 3iv6 s ASP 215 CO 0.00 -0.53 1.62 -0.78 0.21 0.00 0.00 175.17 175.69 3iv6 h ASP 216 N 0.96 -0.72 -0.59 0.27 3.58 -1.97 0.09 116.42 118.03 3iv6 h ASP 216 Ca -0.43 0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.28 3iv6 h ASP 216 Cb 1.26 0.42 -0.04 0.00 1.72 0.00 0.00 39.33 42.70 3iv6 h ASP 216 CO 0.53 -0.23 0.39 -0.33 -2.88 0.00 0.00 179.24 176.72 3iv6 h GLU 217 N -0.07 0.49 -0.48 0.28 5.08 -1.99 -1.68 114.58 116.21 3iv6 h GLU 217 Ca 0.26 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3iv6 h GLU 217 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3iv6 h GLU 217 CO -0.61 0.32 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.19 3iv6 h ASP 218 N 0.50 0.86 -0.51 1.42 3.32 -1.38 -2.45 116.42 118.17 3iv6 h ASP 218 Ca 0.26 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3iv6 h ASP 218 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3iv6 h ASP 218 CO -0.08 0.98 -0.12 0.58 -1.72 0.00 0.00 179.24 178.88 3iv6 h VAL 219 N 0.78 1.27 -0.12 -1.35 2.07 -0.55 -1.71 116.25 116.64 3iv6 h VAL 219 Ca 0.13 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 3iv6 h VAL 219 Cb 0.61 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3iv6 h VAL 219 CO 0.04 0.45 -0.25 0.03 0.02 0.00 0.00 177.57 177.86 3iv6 h ARG 220 N 0.86 0.21 -0.28 1.57 3.08 -1.42 -1.99 114.38 116.41 3iv6 h ARG 220 Ca 0.13 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 3iv6 h ARG 220 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3iv6 h ARG 220 CO 0.05 0.46 -0.49 0.00 -1.07 0.00 0.00 179.97 178.92 3iv6 h ALA 221 N 1.55 0.44 -0.87 0.04 0.00 -1.28 -1.73 119.26 117.40 3iv6 h ALA 221 Ca 0.03 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3iv6 h ALA 221 Cb 0.55 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3iv6 h ALA 221 CO 0.04 0.61 0.56 1.25 0.00 0.00 0.00 179.25 181.71 3iv6 h LEU 222 N 0.59 0.93 -0.58 0.00 5.85 -1.07 -1.16 115.31 119.87 3iv6 h LEU 222 Ca 0.02 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3iv6 h LEU 222 Cb 1.09 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3iv6 h LEU 222 CO 0.11 0.63 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.61 3iv6 h LEU 223 N 1.09 0.00 -2.29 2.25 3.38 -1.21 -3.04 115.31 115.48 3iv6 h LEU 223 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3iv6 h LEU 223 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iv6 h LEU 223 CO -0.12 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3iv6 n SER 224 N -3.20 3.44 -4.77 -0.43 3.41 -0.67 -4.69 113.62 106.72 3iv6 n SER 224 Ca 0.02 -2.00 -0.38 0.00 -0.26 0.00 0.00 58.87 56.25 3iv6 n SER 224 Cb 0.50 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.54 3.02 0.35 7.33 5.04 -0.47 -4.85 115.29 124.17 3iv6 s HIS 225 Ca 0.38 1.53 0.15 0.00 -1.54 0.00 0.00 55.06 55.58 3iv6 s HIS 225 Cb 0.23 -3.44 1.10 0.00 0.04 0.00 0.00 32.58 30.51 3iv6 s HIS 225 CO 0.32 -1.45 1.67 -0.44 -2.34 0.00 0.00 174.74 172.50 3iv6 h ASP 226 N 2.63 0.51 -0.32 9.88 3.32 -1.90 -0.08 116.42 130.46 3iv6 h ASP 226 Ca -0.49 0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 3iv6 h ASP 226 Cb 1.24 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3iv6 h ASP 226 CO 0.62 -0.12 -0.28 0.58 -1.72 0.00 0.00 179.24 178.33 3iv6 h VAL 227 N 0.33 1.27 0.00 -1.35 2.07 -1.93 -1.24 116.25 115.41 3iv6 h VAL 227 Ca 0.73 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3iv6 h VAL 227 Cb 1.70 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3iv6 h VAL 227 CO -0.58 0.48 -0.27 0.58 0.02 0.00 0.00 177.57 177.80 3iv6 h VAL 228 N 0.71 0.48 -0.03 2.57 2.07 -1.56 -3.30 116.25 117.20 3iv6 h VAL 228 Ca 0.08 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3iv6 h VAL 228 Cb 0.82 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3iv6 h VAL 228 CO 0.07 0.26 -0.08 0.59 0.02 0.00 0.00 177.57 178.43 3iv6 n ASN 229 N -3.20 2.72 -0.36 0.57 3.02 -0.14 -4.57 115.26 113.30 3iv6 n ASN 229 Ca 0.02 -1.86 0.02 0.00 -0.03 0.00 0.00 54.58 52.74 3iv6 n ASN 229 Cb 0.60 0.08 0.17 0.00 -0.61 0.00 0.00 39.78 40.03 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 4.30 1.37 -0.81 5.41 0.00 -1.32 -2.41 119.26 125.80 3iv6 h ALA 230 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 3iv6 h ALA 230 Cb 0.90 -0.30 -0.17 0.00 0.00 0.00 0.00 17.79 18.22 3iv6 h ALA 230 CO 0.00 0.42 0.37 0.54 0.00 0.00 0.00 179.25 180.58 3iv6 n ARG 231 N -4.52 3.40 0.00 0.00 1.74 -1.26 -4.94 116.66 111.08 3iv6 n ARG 231 Ca 0.15 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 3iv6 n ARG 231 Cb 0.19 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 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 -0.37 4.60 3.76 -0.13 0.00 -0.91 -5.07 105.19 107.07 3iv6 n GLY 232 Ca 0.46 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3iv6 n GLY 232 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iv6 s TYR 233 N -1.08 3.16 0.15 1.61 2.02 -1.25 -4.45 117.35 117.51 3iv6 s TYR 233 Ca 0.00 1.34 -0.16 0.00 -0.37 0.00 0.00 57.07 57.88 3iv6 s TYR 233 Cb 0.00 -3.63 -0.07 0.00 -0.40 0.00 0.00 41.96 37.86 3iv6 s TYR 233 CO 0.00 -1.83 0.58 0.08 -1.57 0.00 0.00 175.55 172.81 3iv6 s VAL 234 N -0.62 4.79 -0.15 0.71 1.01 -1.26 -4.07 120.40 120.81 3iv6 s VAL 234 Ca 0.52 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 3iv6 s VAL 234 Cb -0.38 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3iv6 s VAL 234 CO 0.46 0.29 -0.14 -0.89 0.00 0.00 0.00 175.10 174.82 3iv6 s THR 235 N -1.41 2.90 -0.73 3.92 2.01 0.12 -4.98 115.64 117.46 3iv6 s THR 235 Ca 0.37 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 3iv6 s THR 235 Cb -0.16 -2.22 0.09 0.00 0.01 0.00 0.00 72.50 70.22 3iv6 s THR 235 CO 0.19 0.51 0.98 -0.22 -0.69 0.00 0.00 174.62 175.39 3iv6 s LEU 236 N 0.61 4.75 0.11 4.42 2.96 -1.26 -1.13 118.68 129.14 3iv6 s LEU 236 Ca -0.08 -1.39 -0.15 0.00 -0.22 0.00 0.00 54.13 52.30 3iv6 s LEU 236 Cb -0.16 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 3iv6 s LEU 236 CO 0.03 -1.28 1.52 -0.33 -1.32 0.00 0.00 176.35 174.97 3iv6 h GLU 237 N 9.28 0.70 -2.67 1.98 5.08 -1.31 -3.47 114.58 124.17 3iv6 h GLU 237 Ca -0.15 -0.27 0.11 0.00 -1.00 0.00 0.00 59.36 58.05 3iv6 h GLU 237 Cb 1.06 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 3iv6 h GLU 237 CO 1.15 0.86 0.35 -1.59 -1.00 0.00 0.00 179.01 178.78 3iv6 s LYS 238 N -4.77 1.42 -0.16 2.33 -2.85 -0.90 -5.02 119.74 109.79 3iv6 s LYS 238 Ca -0.13 -0.75 -0.04 0.00 -1.00 0.00 0.00 55.97 54.05 3iv6 s LYS 238 Cb 0.10 0.51 0.08 0.00 -2.06 0.00 0.00 37.83 36.45 3iv6 s LYS 238 CO 0.80 -0.65 0.24 0.00 0.10 0.00 0.00 175.35 175.84 3iv6 s ALA 239 N -3.58 -0.41 -0.00 0.59 0.00 -1.26 -0.24 121.76 116.85 3iv6 s ALA 239 Ca 0.10 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.75 3iv6 s ALA 239 Cb -0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3iv6 s ALA 239 CO 0.02 -0.88 -0.26 0.08 0.00 0.00 0.00 175.76 174.72 3iv6 s VAL 240 N 2.37 2.09 -0.11 0.00 1.01 0.24 -4.90 120.40 121.09 3iv6 s VAL 240 Ca 0.04 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 3iv6 s VAL 240 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3iv6 s VAL 240 CO -0.10 0.52 0.48 -1.83 0.00 0.00 0.00 175.10 174.17 3iv6 s GLU 241 N -0.79 4.32 0.42 2.72 -1.05 -1.26 0.94 118.70 123.99 3iv6 s GLU 241 Ca 0.11 0.45 -0.15 0.00 -0.15 0.00 0.00 54.97 55.23 3iv6 s GLU 241 Cb -0.10 -3.43 -0.08 0.00 -0.44 0.00 0.00 34.13 30.08 3iv6 s GLU 241 CO -0.00 0.19 0.85 -0.51 0.95 0.00 0.00 175.26 176.73 3iv6 s LEU 242 N 0.53 3.85 -0.02 1.83 1.43 0.23 -4.96 118.68 121.57 3iv6 s LEU 242 Ca 0.26 1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 3iv6 s LEU 242 Cb -0.15 -4.25 -0.11 0.00 0.03 0.00 0.00 46.19 41.71 3iv6 s LEU 242 CO 0.10 -0.40 0.81 -0.65 0.23 0.00 0.00 176.35 176.44 3iv6 h PRO 243 N 1.52 -0.63 0.07 1.29 0.11 -1.96 -3.40 132.00 128.99 3iv6 h PRO 243 Ca -0.48 0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 3iv6 h PRO 243 Cb 1.18 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3iv6 h PRO 243 CO 0.63 -0.40 -1.41 -0.44 -0.21 0.00 0.00 178.00 176.18 3iv6 h ASP 244 N -1.15 0.23 -4.09 -2.05 3.45 -1.98 -3.48 116.42 107.35 3iv6 h ASP 244 Ca -0.07 -0.76 -0.52 0.00 0.43 0.00 0.00 57.03 56.12 3iv6 h ASP 244 Cb 0.52 -0.08 0.09 0.00 -0.56 0.00 0.00 39.33 39.31 3iv6 h ASP 244 CO 0.11 1.59 0.45 0.00 -1.57 0.00 0.00 179.24 179.83 3iv6 s ALA 245 N -2.44 2.62 -0.33 3.45 0.00 -1.26 -4.86 121.76 118.94 3iv6 s ALA 245 Ca -0.24 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 3iv6 s ALA 245 Cb 0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3iv6 s ALA 245 CO 0.70 -0.97 1.79 -2.14 0.00 0.00 0.00 175.76 175.14 3iv6 s PRO 246 N -3.30 3.35 -1.30 0.00 0.02 -1.26 -3.87 135.00 128.64 3iv6 s PRO 246 Ca 0.75 1.43 -0.26 0.00 0.02 0.00 0.00 61.00 62.93 3iv6 s PRO 246 Cb -0.27 -4.19 0.04 0.00 0.02 0.00 0.00 34.50 30.09 3iv6 s PRO 246 CO 0.30 -1.84 0.50 -1.71 -0.33 0.00 0.00 177.00 173.92 3iv6 n ASN 247 N 10.22 -2.74 -2.29 2.53 5.15 -1.26 -4.64 115.26 122.22 3iv6 n ASN 247 Ca 0.23 -1.30 -0.04 0.00 -0.60 0.00 0.00 54.58 52.86 3iv6 n ASN 247 Cb 0.47 -1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 38.13 3iv6 n ASN 247 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3iv6 n THR 248 N -4.96 0.00 -3.66 -0.44 -1.04 -1.25 -1.35 114.28 101.58 3iv6 n THR 248 Ca -0.17 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.05 61.47 3iv6 n THR 248 Cb 0.59 0.06 -0.08 0.00 -1.82 0.00 0.00 70.33 69.08 3iv6 n THR 248 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3iv6 s LEU 250 N 0.00 -0.67 -0.20 -4.42 2.96 0.27 -0.60 118.68 116.01 3iv6 s LEU 250 Ca 0.00 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 3iv6 s LEU 250 Cb 0.00 1.65 -0.01 0.00 0.50 0.00 0.00 46.19 48.33 3iv6 s LEU 250 CO 0.00 -0.22 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.43 3iv6 s TYR 251 N 2.34 2.92 -0.31 5.38 2.02 -0.35 -0.59 117.35 128.76 3iv6 s TYR 251 Ca -0.05 -0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 55.59 3iv6 s TYR 251 Cb -0.11 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3iv6 s TYR 251 CO -0.15 -0.52 0.14 -1.14 -1.57 0.00 0.00 175.55 172.31 3iv6 s GLN 252 N 1.29 3.31 0.18 -0.62 0.74 0.66 -1.40 119.66 123.82 3iv6 s GLN 252 Ca 0.03 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 3iv6 s GLN 252 Cb -0.14 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 3iv6 s GLN 252 CO -0.03 -0.41 0.11 -0.59 -0.55 0.00 0.00 175.29 173.81 3iv6 s PHE 253 N 1.60 1.10 0.34 1.67 -0.12 -0.43 -0.78 117.98 121.36 3iv6 s PHE 253 Ca 0.04 -1.32 -0.17 0.00 -0.05 0.00 0.00 56.93 55.43 3iv6 s PHE 253 Cb -0.17 -0.56 0.04 0.00 -0.63 0.00 0.00 43.02 41.70 3iv6 s PHE 253 CO 0.06 -0.58 0.74 -1.54 -0.05 0.00 0.00 175.22 173.85 3iv6 s SER 254 N -3.14 -0.06 -0.21 1.98 1.04 -0.28 -0.97 113.70 112.05 3iv6 s SER 254 Ca 0.35 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 3iv6 s SER 254 Cb 0.07 0.79 0.09 0.00 0.10 0.00 0.00 66.02 67.08 3iv6 s SER 254 CO 0.09 -1.54 0.21 -0.60 0.98 0.00 0.00 173.24 172.39 3iv6 s ARG 255 N -2.98 0.19 0.00 4.02 3.52 -1.26 0.16 118.95 122.61 3iv6 s ARG 255 Ca 0.15 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 3iv6 s ARG 255 Cb -0.05 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 3iv6 s ARG 255 CO 0.10 -0.71 0.00 0.54 -0.81 0.00 0.00 175.30 174.42