#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 4.16 -1.21 2.28 1.09 -1.26 -4.94 121.20 121.33 3iv6 s ILE 3 Ca 0.00 -0.33 -0.09 0.00 -1.10 0.00 0.00 60.65 59.13 3iv6 s ILE 3 Cb 0.00 -4.80 0.21 0.00 -1.06 0.00 0.00 42.46 36.81 3iv6 s ILE 3 CO 0.00 -1.62 1.67 1.07 -0.10 0.00 0.00 174.94 175.95 3iv6 n THR 4 N 6.10 4.61 -3.42 2.92 5.66 -1.26 -4.91 114.28 123.97 3iv6 n THR 4 Ca 0.05 -4.91 -0.12 0.00 -3.05 0.00 0.00 64.05 56.03 3iv6 n THR 4 Cb 0.47 -2.32 -0.10 0.00 -1.55 0.00 0.00 70.33 66.84 3iv6 n THR 4 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3iv6 s ASN 5 N 0.49 0.49 0.16 1.09 3.84 -1.26 -5.03 114.94 114.72 3iv6 s ASN 5 Ca 0.37 0.19 0.19 0.00 0.21 0.00 0.00 52.86 53.82 3iv6 s ASN 5 Cb 0.05 0.93 0.82 0.00 -0.55 0.00 0.00 41.25 42.51 3iv6 s ASN 5 CO 0.03 -0.30 1.59 -1.54 -2.79 0.00 0.00 177.10 174.09 3iv6 n SER 6 N 5.35 0.40 0.10 -4.21 3.41 -1.26 -1.64 113.62 115.77 3iv6 n SER 6 Ca -0.05 0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 3iv6 n SER 6 Cb 0.50 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.83 3iv6 n SER 6 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iv6 h LYS 7 N 0.00 0.11 0.00 4.33 1.57 -1.90 -3.14 116.57 117.53 3iv6 h LYS 7 Ca 0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3iv6 h LYS 7 Cb 0.28 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3iv6 h LYS 7 CO 0.00 0.80 -0.00 0.00 -0.57 0.00 0.00 179.45 179.68 3iv6 h ALA 8 N 1.17 1.34 0.00 3.86 0.00 -1.62 0.28 119.26 124.29 3iv6 h ALA 8 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iv6 h ALA 8 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3iv6 h ALA 8 CO 0.11 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.75 3iv6 n GLU 9 N -3.57 0.15 0.14 0.00 -0.58 -1.19 -2.53 120.64 113.06 3iv6 n GLU 9 Ca -0.03 0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 3iv6 n GLU 9 Cb 0.08 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.29 3iv6 n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iv6 h ALA 10 N 3.07 -0.10 0.00 0.62 0.00 -1.10 -3.29 119.26 118.46 3iv6 h ALA 10 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3iv6 h ALA 10 Cb 0.39 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iv6 h ALA 10 CO 0.00 0.76 0.00 0.91 0.00 0.00 0.00 179.25 180.92 3iv6 n TRP 11 N -3.68 0.18 0.19 0.00 7.02 -1.05 -2.42 117.44 117.67 3iv6 n TRP 11 Ca -0.16 0.06 0.06 0.00 -1.02 0.00 0.00 57.50 56.43 3iv6 n TRP 11 Cb 1.09 -0.59 0.30 0.00 -2.42 0.00 0.00 31.31 29.69 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 -0.36 -0.99 4.39 -1.56 -2.31 114.58 113.75 3iv6 h GLU 12 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3iv6 h GLU 12 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3iv6 h GLU 12 CO 0.00 0.37 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.95 3iv6 h LEU 13 N 0.00 0.80 0.00 1.33 3.38 -1.60 -3.39 115.31 115.83 3iv6 h LEU 13 Ca -0.00 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3iv6 h LEU 13 Cb 0.97 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3iv6 h LEU 13 CO 0.05 1.04 -0.12 0.40 0.09 0.00 0.00 178.44 179.90 3iv6 h ILE 14 N 0.56 0.51 0.00 1.22 1.08 -1.60 -3.50 117.51 115.78 3iv6 h ILE 14 Ca 0.08 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 3iv6 h ILE 14 Cb 0.75 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3iv6 h ILE 14 CO 0.06 0.17 0.00 0.61 -0.69 0.00 0.00 178.15 178.30 3iv6 n GLY 15 N 1.70 1.01 0.12 5.37 0.00 -0.88 -2.84 105.19 109.68 3iv6 n GLY 15 Ca -0.05 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.84 0.49 0.27 1.61 0.23 -1.26 -2.76 115.26 111.00 3iv6 n ASN 16 Ca 0.00 0.68 0.10 0.00 -0.53 0.00 0.00 54.58 54.84 3iv6 n ASN 16 Cb 0.00 -0.77 0.54 0.00 -2.08 0.00 0.00 39.78 37.47 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 0.00 -3.83 4.20 -1.92 -0.80 115.11 112.76 3iv6 h GLN 17 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3iv6 h GLN 17 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3iv6 h GLN 17 CO 0.00 0.00 -0.20 0.35 -0.67 0.00 0.00 178.83 178.31 3iv6 h PHE 18 N 0.00 0.00 0.00 2.96 3.57 -1.73 -2.22 116.94 119.51 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 0.84 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3iv6 h PHE 18 CO 0.00 0.20 0.00 -2.67 -2.23 0.00 0.00 178.31 173.61 3iv6 n TRP 19 N -4.08 0.00 -0.11 0.41 2.14 -0.36 -3.76 117.44 111.68 3iv6 n TRP 19 Ca -0.02 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.33 3iv6 n TRP 19 Cb 0.28 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.68 3iv6 n TRP 19 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3iv6 n THR 20 N -0.26 1.52 -0.77 -1.67 -2.24 -0.84 -4.76 114.28 105.26 3iv6 n THR 20 Ca 0.00 -0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 3iv6 n THR 20 Cb 0.04 -2.04 0.04 0.00 -2.10 0.00 0.00 70.33 66.28 3iv6 n THR 20 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3iv6 n ILE 21 N -4.40 0.99 0.00 2.28 -5.35 -1.05 -5.07 119.36 106.76 3iv6 n ILE 21 Ca -0.36 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 3iv6 n ILE 21 Cb 0.70 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 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 -0.65 -1.14 0.00 3.28 0.00 -0.86 -2.23 105.19 103.58 3iv6 n GLY 22 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3iv6 n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iv6 n ARG 27 N -1.96 0.00 -3.19 1.61 0.00 -1.26 -4.88 116.66 106.99 3iv6 n ARG 27 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 3iv6 n ARG 27 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3iv6 n ARG 27 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3iv6 s PRO 28 N -0.11 4.10 0.76 -0.14 0.02 -1.26 -5.04 135.00 133.33 3iv6 s PRO 28 Ca 0.00 0.69 -0.11 0.00 0.02 0.00 0.00 61.00 61.61 3iv6 s PRO 28 Cb 0.00 -2.75 0.05 0.00 0.02 0.00 0.00 34.50 31.81 3iv6 s PRO 28 CO 0.00 0.34 1.08 -1.54 -0.33 0.00 0.00 177.00 176.56 3iv6 s SER 29 N -1.88 4.69 0.59 2.53 1.04 -1.26 -4.73 113.70 114.68 3iv6 s SER 29 Ca 0.45 1.77 0.34 0.00 0.48 0.00 0.00 55.95 58.99 3iv6 s SER 29 Cb -0.14 -2.51 1.87 0.00 0.10 0.00 0.00 66.02 65.34 3iv6 s SER 29 CO 0.20 -1.91 2.04 0.44 0.98 0.00 0.00 173.24 174.99 3iv6 h ASP 30 N -1.04 0.00 0.22 7.02 3.32 -1.99 0.68 116.42 124.63 3iv6 h ASP 30 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3iv6 h ASP 30 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3iv6 h ASP 30 CO 0.53 0.00 -1.06 -2.11 -1.72 0.00 0.00 179.24 174.88 3iv6 n ARG 31 N -2.81 0.18 -0.07 3.56 1.85 -1.26 -3.47 116.66 114.64 3iv6 n ARG 31 Ca -0.02 -0.02 -0.11 0.00 -1.00 0.00 0.00 57.85 56.70 3iv6 n ARG 31 Cb 0.18 -1.54 -0.09 0.00 -1.05 0.00 0.00 32.46 29.96 3iv6 n ARG 31 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 3iv6 h GLU 32 N 0.00 0.00 0.00 2.89 4.81 0.02 -2.82 114.58 119.48 3iv6 h GLU 32 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iv6 h GLU 32 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3iv6 h GLU 32 CO 0.00 0.68 0.00 -2.95 -0.73 0.00 0.00 179.01 176.01 3iv6 h ASN 33 N -1.00 0.00 0.31 1.04 7.08 -1.56 -2.21 115.58 119.24 3iv6 h ASN 33 Ca -0.04 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.99 3iv6 h ASN 33 Cb 0.74 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.98 3iv6 h ASN 33 CO -0.03 0.00 -0.78 0.44 -2.08 0.00 0.00 177.43 174.98 3iv6 h ASP 34 N 0.00 0.46 -0.53 6.14 5.19 -1.61 -2.58 116.42 123.49 3iv6 h ASP 34 Ca 0.00 -0.32 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 3iv6 h ASP 34 Cb 0.32 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3iv6 h ASP 34 CO 0.00 1.08 -0.10 0.40 -3.12 0.00 0.00 179.24 177.50 3iv6 h ILE 35 N 0.25 1.27 -0.07 0.35 2.04 -1.13 -1.62 117.51 118.60 3iv6 h ILE 35 Ca -0.04 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 3iv6 h ILE 35 Cb 1.37 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3iv6 h ILE 35 CO 0.13 0.44 -0.27 -0.26 0.00 0.00 0.00 178.15 178.19 3iv6 h PHE 36 N 0.87 0.13 -0.29 1.37 0.04 -1.54 -3.25 116.94 114.27 3iv6 h PHE 36 Ca 0.14 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3iv6 h PHE 36 Cb 0.67 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.78 3iv6 h PHE 36 CO 0.05 0.39 0.00 1.28 -0.60 0.00 0.00 178.31 179.42 3iv6 n LEU 37 N -4.17 3.50 -4.73 1.54 4.77 -0.98 -4.98 117.00 111.95 3iv6 n LEU 37 Ca -0.02 -2.63 -0.42 0.00 -0.03 0.00 0.00 56.01 52.92 3iv6 n LEU 37 Cb 0.35 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3iv6 n LEU 37 CO 0.39 0.69 1.29 1.21 -1.33 0.00 0.00 177.39 179.64 3iv6 n GLU 38 N -0.14 2.70 -0.62 3.23 2.13 -0.63 -2.00 120.64 125.32 3iv6 n GLU 38 Ca 0.17 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.96 3iv6 n GLU 38 Cb 0.71 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.65 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 2.98 0.00 -4.69 4.31 3.02 -1.26 -4.98 115.26 114.64 3iv6 n ASN 39 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3iv6 n ASN 39 Cb 0.35 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -3.00 4.85 0.29 2.41 1.01 -0.85 -5.03 121.20 120.88 3iv6 s ILE 40 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.54 3iv6 s ILE 40 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3iv6 s ILE 40 CO 0.00 0.05 0.18 0.68 0.00 0.00 0.00 174.94 175.86 3iv6 s VAL 41 N 1.83 0.19 0.21 2.92 -7.23 -1.26 -4.98 120.40 112.08 3iv6 s VAL 41 Ca 0.44 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.29 3iv6 s VAL 41 Cb -0.18 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.13 3iv6 s VAL 41 CO 0.17 0.00 1.53 -2.65 -0.31 0.00 0.00 175.10 173.85 3iv6 n PRO 42 N -0.54 2.26 0.00 4.82 -0.02 -1.16 -1.43 135.00 138.92 3iv6 n PRO 42 Ca 0.03 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3iv6 n PRO 42 Cb 0.64 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.84 2.48 3.67 -1.23 0.00 -1.12 -4.96 105.19 106.86 3iv6 n GLY 43 Ca 0.14 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 3iv6 n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iv6 n SER 44 N 0.17 3.01 -4.69 1.61 7.64 -0.52 -4.57 113.62 116.27 3iv6 n SER 44 Ca 0.00 1.10 -0.39 0.00 1.01 0.00 0.00 58.87 60.59 3iv6 n SER 44 Cb 0.00 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 61.71 3iv6 n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iv6 s THR 45 N 0.55 5.07 -0.06 0.44 -4.23 -1.26 -1.07 115.64 115.09 3iv6 s THR 45 Ca 0.75 1.17 0.03 0.00 -1.18 0.00 0.00 61.69 62.45 3iv6 s THR 45 Cb -0.66 -3.93 0.01 0.00 1.34 0.00 0.00 72.50 69.26 3iv6 s THR 45 CO 0.42 0.20 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.88 3iv6 s VAL 46 N 1.33 1.19 -0.21 2.29 1.01 -0.53 -1.14 120.40 124.34 3iv6 s VAL 46 Ca 0.30 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3iv6 s VAL 46 Cb -0.16 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3iv6 s VAL 46 CO 0.12 0.37 -0.06 0.00 0.00 0.00 0.00 175.10 175.52 3iv6 s ALA 47 N 0.57 2.77 -0.19 5.51 0.00 -0.29 -1.40 121.76 128.72 3iv6 s ALA 47 Ca -0.13 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 3iv6 s ALA 47 Cb -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3iv6 s ALA 47 CO 0.04 -0.39 0.04 0.08 0.00 0.00 0.00 175.76 175.53 3iv6 s VAL 48 N 1.41 4.42 -0.25 0.00 1.01 -0.35 -1.11 120.40 125.53 3iv6 s VAL 48 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3iv6 s VAL 48 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3iv6 s VAL 48 CO -0.04 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.18 3iv6 s ILE 49 N 0.73 5.23 0.00 2.22 -1.09 -0.49 -1.70 121.20 126.10 3iv6 s ILE 49 Ca 0.02 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3iv6 s ILE 49 Cb -0.14 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3iv6 s ILE 49 CO 0.02 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 3iv6 n GLY 50 N 4.49 0.50 0.12 6.18 0.00 0.20 -4.60 105.19 112.07 3iv6 n GLY 50 Ca -0.10 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 0.87 1.66 0.50 4.61 0.00 -1.26 -2.89 120.51 123.99 3iv6 n ALA 51 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3iv6 n ALA 51 Cb 0.00 -1.37 0.46 0.00 0.00 0.00 0.00 19.45 18.54 3iv6 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iv6 n SER 52 N -2.16 0.68 -2.60 0.00 3.41 -1.26 -3.67 113.62 108.02 3iv6 n SER 52 Ca 0.02 0.63 -0.25 0.00 -0.26 0.00 0.00 58.87 59.00 3iv6 n SER 52 Cb 0.22 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 3iv6 n SER 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iv6 n THR 53 N -2.20 3.67 0.23 6.66 -1.04 -1.14 -4.74 114.28 115.73 3iv6 n THR 53 Ca 0.03 -2.54 0.10 0.00 -2.04 0.00 0.00 64.05 59.60 3iv6 n THR 53 Cb 0.30 -2.01 0.56 0.00 -1.82 0.00 0.00 70.33 67.36 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 3.61 0.00 0.00 -2.82 -0.00 -1.87 -2.61 114.38 110.70 3iv6 h ARG 54 Ca 0.45 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 60.18 3iv6 h ARG 54 Cb 0.88 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.86 3iv6 h ARG 54 CO 0.89 0.21 -1.00 0.74 -0.00 0.00 0.00 179.97 180.80 3iv6 h PHE 55 N 0.00 0.86 -0.15 4.08 0.04 -1.93 -1.16 116.94 118.68 3iv6 h PHE 55 Ca -0.00 -0.47 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 3iv6 h PHE 55 Cb 0.55 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3iv6 h PHE 55 CO 0.00 1.30 -0.15 1.25 -0.60 0.00 0.00 178.31 180.11 3iv6 h LEU 56 N 0.32 0.23 -0.31 1.54 5.85 -1.89 -0.12 115.31 120.93 3iv6 h LEU 56 Ca -0.11 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.39 3iv6 h LEU 56 Cb 1.65 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 3iv6 h LEU 56 CO 0.19 0.41 -0.49 0.40 -0.34 0.00 0.00 178.44 178.61 3iv6 h ILE 57 N 0.23 1.28 0.58 4.05 2.04 -1.28 -1.80 117.51 122.61 3iv6 h ILE 57 Ca 0.05 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 3iv6 h ILE 57 Cb 0.41 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3iv6 h ILE 57 CO 0.02 0.55 -0.28 -0.08 0.00 0.00 0.00 178.15 178.36 3iv6 h GLU 58 N 0.67 -0.76 -1.03 2.37 4.81 -0.72 -1.30 114.58 118.63 3iv6 h GLU 58 Ca 0.03 0.05 0.35 0.00 -0.13 0.00 0.00 59.36 59.66 3iv6 h GLU 58 Cb 1.09 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.49 3iv6 h GLU 58 CO 0.11 -0.45 0.59 0.87 -0.73 0.00 0.00 179.01 179.40 3iv6 h LYS 59 N -0.97 0.24 -0.08 1.92 6.56 -1.06 -0.11 116.57 123.07 3iv6 h LYS 59 Ca -0.08 -0.01 -0.18 0.00 -1.06 0.00 0.00 60.65 59.31 3iv6 h LYS 59 Cb 0.66 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.27 3iv6 h LYS 59 CO 0.13 0.16 -0.66 0.00 -2.06 0.00 0.00 179.45 177.02 3iv6 h ALA 60 N 1.85 0.19 -0.27 3.86 0.00 -1.06 -2.68 119.26 121.15 3iv6 h ALA 60 Ca 0.76 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3iv6 h ALA 60 Cb 1.84 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3iv6 h ALA 60 CO -0.61 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.24 3iv6 h LEU 61 N 0.21 0.11 0.00 0.00 3.38 -0.07 -1.98 115.31 116.96 3iv6 h LEU 61 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iv6 h LEU 61 Cb 1.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3iv6 h LEU 61 CO 0.13 0.07 -0.35 -1.84 0.09 0.00 0.00 178.44 176.55 3iv6 n GLU 62 N -4.48 0.09 0.11 1.13 0.28 -0.17 -2.38 120.64 115.22 3iv6 n GLU 62 Ca 0.03 0.04 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 3iv6 n GLU 62 Cb 0.26 -1.57 0.46 0.00 1.43 0.00 0.00 31.44 32.02 3iv6 n GLU 62 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3iv6 n ARG 63 N -1.71 0.19 -0.21 3.44 3.00 -0.76 -4.88 116.66 115.73 3iv6 n ARG 63 Ca 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 3iv6 n ARG 63 Cb 0.37 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.02 3iv6 n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iv6 n GLY 64 N 0.40 0.88 3.84 5.14 0.00 -1.00 -3.01 105.19 111.44 3iv6 n GLY 64 Ca 0.03 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.99 -0.77 4.61 0.00 -1.12 -2.81 121.76 122.67 3iv6 s ALA 65 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 3iv6 s ALA 65 Cb 0.00 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 20.07 3iv6 s ALA 65 CO 0.00 -0.45 1.04 -1.12 0.00 0.00 0.00 175.76 175.23 3iv6 s SER 66 N -3.21 6.34 0.01 0.00 0.01 -0.23 -4.66 113.70 111.96 3iv6 s SER 66 Ca 0.59 -1.38 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 3iv6 s SER 66 Cb -0.11 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 3iv6 s SER 66 CO 0.37 -1.31 0.45 -0.69 0.41 0.00 0.00 173.24 172.47 3iv6 s VAL 67 N 3.60 4.97 0.01 3.43 1.01 -1.26 -1.46 120.40 130.71 3iv6 s VAL 67 Ca 0.27 0.93 0.04 0.00 0.00 0.00 0.00 61.98 63.22 3iv6 s VAL 67 Cb -0.12 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3iv6 s VAL 67 CO 0.02 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 3iv6 s THR 68 N -0.96 1.06 -0.13 3.92 2.01 -0.49 -2.82 115.64 118.23 3iv6 s THR 68 Ca 0.25 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3iv6 s THR 68 Cb -0.17 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.43 3iv6 s THR 68 CO 0.14 0.19 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 3iv6 s VAL 69 N -0.50 2.00 -0.16 3.82 1.01 -0.18 -1.21 120.40 125.17 3iv6 s VAL 69 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3iv6 s VAL 69 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3iv6 s VAL 69 CO 0.00 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.29 3iv6 s PHE 70 N 0.70 3.13 -0.01 5.22 0.08 -0.69 -1.24 117.98 125.16 3iv6 s PHE 70 Ca -0.10 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.67 3iv6 s PHE 70 Cb -0.16 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 3iv6 s PHE 70 CO 0.01 0.07 0.34 0.34 -0.10 0.00 0.00 175.22 175.88 3iv6 s ASP 71 N 0.32 -0.23 0.00 1.36 -1.08 -1.05 -0.63 116.67 115.36 3iv6 s ASP 71 Ca -0.01 0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.38 3iv6 s ASP 71 Cb -0.13 0.34 0.36 0.00 -1.46 0.00 0.00 42.92 42.02 3iv6 s ASP 71 CO 0.02 -0.48 1.34 2.22 0.52 0.00 0.00 175.17 178.78 3iv6 n PHE 72 N 1.15 0.00 -3.72 -5.34 -0.00 -1.15 -1.11 117.46 107.29 3iv6 n PHE 72 Ca -0.21 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 56.87 3iv6 n PHE 72 Cb 0.56 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.48 39.92 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 -2.19 5.76 0.12 5.98 0.15 -1.26 -4.86 113.70 117.41 3iv6 s SER 73 Ca 0.27 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 3iv6 s SER 73 Cb 0.20 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 3iv6 s SER 73 CO 0.40 0.02 1.58 -0.61 1.20 0.00 0.00 173.24 175.84 3iv6 h GLN 74 N 7.82 0.64 -1.10 5.44 5.75 -1.90 -1.40 115.11 130.36 3iv6 h GLN 74 Ca -0.37 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 3iv6 h GLN 74 Cb 1.18 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.66 3iv6 h GLN 74 CO 0.61 0.72 0.00 -2.13 -2.65 0.00 0.00 178.83 175.38 3iv6 n ARG 75 N -4.52 0.00 0.00 1.69 3.00 -1.26 -0.46 116.66 115.11 3iv6 n ARG 75 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3iv6 n ARG 75 Cb 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.67 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 -0.48 -0.74 0.00 3.32 -1.04 -0.63 116.42 116.85 3iv6 h ASP 78 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3iv6 h ASP 78 Cb 0.00 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3iv6 h ASP 78 CO 0.00 -0.25 0.49 0.44 -1.72 0.00 0.00 179.24 178.20 3iv6 h ASP 79 N -0.68 0.84 -0.22 6.45 3.32 -1.51 0.39 116.42 125.01 3iv6 h ASP 79 Ca -0.06 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3iv6 h ASP 79 Cb 0.50 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3iv6 h ASP 79 CO 0.09 0.61 -0.37 0.25 -1.72 0.00 0.00 179.24 178.10 3iv6 h LEU 80 N 1.00 0.71 -0.68 1.55 5.85 -1.78 -2.37 115.31 119.58 3iv6 h LEU 80 Ca 0.27 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.59 3iv6 h LEU 80 Cb -0.11 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.63 3iv6 h LEU 80 CO -0.06 1.10 0.23 0.00 -0.34 0.00 0.00 178.44 179.37 3iv6 h ALA 81 N 0.63 0.90 -0.14 1.25 0.00 -0.56 -0.86 119.26 120.48 3iv6 h ALA 81 Ca 0.02 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iv6 h ALA 81 Cb 0.96 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3iv6 h ALA 81 CO 0.08 -0.24 0.07 0.93 0.00 0.00 0.00 179.25 180.10 3iv6 h GLU 82 N 0.37 0.15 0.00 0.00 5.08 -0.82 -0.39 114.58 118.98 3iv6 h GLU 82 Ca 0.37 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 3iv6 h GLU 82 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3iv6 h GLU 82 CO -0.39 0.10 -0.32 0.00 -1.00 0.00 0.00 179.01 177.40 3iv6 h ALA 83 N 1.07 1.18 -0.42 3.43 0.00 -0.83 -2.70 119.26 120.99 3iv6 h ALA 83 Ca 0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 3iv6 h ALA 83 Cb 0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.52 3iv6 h ALA 83 CO -0.04 0.40 -0.62 1.28 0.00 0.00 0.00 179.25 180.27 3iv6 n LEU 84 N -3.73 4.00 -0.22 0.00 4.77 -0.40 -4.80 117.00 116.63 3iv6 n LEU 84 Ca -0.01 -4.34 0.14 0.00 -0.03 0.00 0.00 56.01 51.76 3iv6 n LEU 84 Cb 0.42 -0.45 0.44 0.00 -2.33 0.00 0.00 43.42 41.50 3iv6 n LEU 84 CO 0.36 1.76 1.22 0.00 -1.33 0.00 0.00 177.39 179.40 3iv6 h ALA 85 N 1.62 1.97 -0.01 -1.18 0.00 -0.72 -1.82 119.26 119.12 3iv6 h ALA 85 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iv6 h ALA 85 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iv6 h ALA 85 CO 0.44 -0.19 -0.24 -0.40 0.00 0.00 0.00 179.25 178.86 3iv6 n ASP 86 N -4.52 0.97 -4.97 0.00 5.75 -1.26 -4.91 116.55 107.61 3iv6 n ASP 86 Ca 0.16 -0.85 -0.21 0.00 -0.01 0.00 0.00 54.79 53.87 3iv6 n ASP 86 Cb 0.50 0.11 0.02 0.00 -1.03 0.00 0.00 41.12 40.71 3iv6 n ASP 86 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iv6 s ARG 87 N -2.50 2.91 -0.69 0.11 3.00 -0.69 -5.01 118.95 116.09 3iv6 s ARG 87 Ca 0.25 -0.69 -0.02 0.00 0.00 0.00 0.00 55.73 55.27 3iv6 s ARG 87 Cb 0.19 -2.59 0.36 0.00 0.00 0.00 0.00 34.95 32.91 3iv6 s ARG 87 CO 0.51 -0.35 2.10 0.00 0.00 0.00 0.00 175.30 177.56 3iv6 s VAL 89 N -4.48 5.19 0.16 0.00 1.01 -1.26 -4.82 120.40 116.19 3iv6 s VAL 89 Ca 0.57 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 3iv6 s VAL 89 Cb 0.45 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 3iv6 s VAL 89 CO -0.18 0.38 0.86 -0.89 0.00 0.00 0.00 175.10 175.28 3iv6 s THR 90 N 0.30 4.36 -0.16 3.92 2.01 -1.13 -5.00 115.64 119.94 3iv6 s THR 90 Ca 0.23 1.89 -0.03 0.00 0.31 0.00 0.00 61.69 64.10 3iv6 s THR 90 Cb -0.15 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 68.18 3iv6 s THR 90 CO 0.09 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 173.88 3iv6 s ILE 91 N -0.75 0.38 -0.03 1.82 1.01 -1.26 -1.01 121.20 121.36 3iv6 s ILE 91 Ca 0.40 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3iv6 s ILE 91 Cb -0.24 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3iv6 s ILE 91 CO 0.28 -0.11 -0.25 -1.81 0.00 0.00 0.00 174.94 173.06 3iv6 s ASP 92 N 1.93 3.12 0.05 3.58 -0.00 -0.38 -4.98 116.67 119.99 3iv6 s ASP 92 Ca 0.01 -0.46 -0.31 0.00 -0.00 0.00 0.00 52.55 51.79 3iv6 s ASP 92 Cb -0.16 -0.48 -0.07 0.00 -0.00 0.00 0.00 42.92 42.21 3iv6 s ASP 92 CO -0.07 0.31 1.54 -0.22 -0.00 0.00 0.00 175.17 176.72 3iv6 s LEU 93 N -0.52 4.35 -0.28 1.23 2.96 -1.26 -2.53 118.68 122.63 3iv6 s LEU 93 Ca 0.07 2.35 -0.18 0.00 -0.22 0.00 0.00 54.13 56.15 3iv6 s LEU 93 Cb -0.11 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.09 3iv6 s LEU 93 CO 0.00 -0.80 0.69 -0.22 -1.32 0.00 0.00 176.35 174.70 3iv6 s LEU 94 N 2.34 -0.90 -0.49 -0.68 0.20 -0.27 -4.89 118.68 114.00 3iv6 s LEU 94 Ca 0.69 1.50 -0.19 0.00 0.69 0.00 0.00 54.13 56.82 3iv6 s LEU 94 Cb -0.37 2.39 0.05 0.00 -0.43 0.00 0.00 46.19 47.84 3iv6 s LEU 94 CO 0.30 -0.24 0.61 -0.62 -0.29 0.00 0.00 176.35 176.11 3iv6 s ASP 95 N 1.38 6.23 0.62 3.68 -1.08 -1.26 -2.92 116.67 123.33 3iv6 s ASP 95 Ca -0.08 -0.85 0.39 0.00 -0.52 0.00 0.00 52.55 51.49 3iv6 s ASP 95 Cb -0.05 -2.29 2.09 0.00 -1.46 0.00 0.00 42.92 41.21 3iv6 s ASP 95 CO -0.16 -0.86 2.27 -0.29 0.52 0.00 0.00 175.17 176.66 3iv6 h ILE 96 N 5.85 0.15 0.00 4.11 6.09 -1.95 0.14 117.51 131.90 3iv6 h ILE 96 Ca -0.27 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3iv6 h ILE 96 Cb 1.10 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.50 3iv6 h ILE 96 CO 0.95 0.01 0.00 0.41 -3.07 0.00 0.00 178.15 176.45 3iv6 n THR 97 N -3.27 0.13 -4.16 2.19 -1.04 -1.26 -3.95 114.28 102.92 3iv6 n THR 97 Ca -0.02 0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 3iv6 n THR 97 Cb 0.12 -0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 3iv6 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iv6 s ALA 98 N -2.28 4.26 0.48 2.41 0.00 0.47 -4.74 121.76 122.36 3iv6 s ALA 98 Ca 0.30 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 3iv6 s ALA 98 Cb 0.16 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 3iv6 s ALA 98 CO 0.32 -0.29 1.12 -1.21 0.00 0.00 0.00 175.76 175.70 3iv6 s GLU 99 N -4.13 3.69 -0.31 0.00 0.41 -1.26 -4.80 118.70 112.30 3iv6 s GLU 99 Ca 0.27 1.64 -0.16 0.00 -0.41 0.00 0.00 54.97 56.30 3iv6 s GLU 99 Cb -0.01 -2.26 -0.02 0.00 -1.78 0.00 0.00 34.13 30.07 3iv6 s GLU 99 CO 0.16 -0.58 0.43 0.42 -0.49 0.00 0.00 175.26 175.20 3iv6 s ILE 100 N -1.68 5.11 0.14 -1.63 -1.09 -1.26 -4.98 121.20 115.81 3iv6 s ILE 100 Ca 0.66 0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 59.23 3iv6 s ILE 100 Cb -0.25 -3.82 -0.16 0.00 -1.58 0.00 0.00 42.46 36.65 3iv6 s ILE 100 CO 0.30 -0.02 0.58 -2.65 -1.23 0.00 0.00 174.94 171.92 3iv6 n PRO 101 N 5.49 0.00 0.08 2.79 -0.02 -1.26 -4.78 135.00 137.30 3iv6 n PRO 101 Ca -0.07 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.51 3iv6 n PRO 101 Cb 0.50 -1.00 0.42 0.00 -0.02 0.00 0.00 33.50 33.39 3iv6 n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3iv6 n LYS 102 N 1.00 0.11 0.00 -0.52 5.02 -1.26 -1.77 118.16 120.74 3iv6 n LYS 102 Ca 0.17 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 3iv6 n LYS 102 Cb 0.19 -1.72 0.57 0.00 -0.02 0.00 0.00 35.03 34.05 3iv6 n LYS 102 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iv6 n GLU 103 N -1.93 0.14 -0.00 1.97 1.02 -1.26 -3.29 120.64 117.28 3iv6 n GLU 103 Ca 0.03 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.27 3iv6 n GLU 103 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 3iv6 n GLU 103 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3iv6 n LEU 104 N -1.42 0.22 -4.68 -4.62 4.77 -0.73 -4.97 117.00 105.57 3iv6 n LEU 104 Ca 0.08 -0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 3iv6 n LEU 104 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3iv6 n LEU 104 CO 0.22 0.05 1.50 0.00 -1.33 0.00 0.00 177.39 177.83 3iv6 s ALA 105 N -2.09 3.67 -1.16 -1.18 0.00 -1.21 -2.18 121.76 117.62 3iv6 s ALA 105 Ca 0.00 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 3iv6 s ALA 105 Cb 0.06 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3iv6 s ALA 105 CO 0.33 -1.36 0.56 0.41 0.00 0.00 0.00 175.76 175.70 3iv6 n GLY 106 N 4.32 -0.22 0.73 0.00 0.00 -0.01 -4.92 105.19 105.09 3iv6 n GLY 106 Ca 0.18 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.26 0.04 -4.91 1.61 -0.00 -0.86 -4.77 115.22 102.08 3iv6 n HIS 107 Ca -0.07 -0.03 -0.26 0.00 -0.00 0.00 0.00 57.72 57.37 3iv6 n HIS 107 Cb 0.58 -0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.42 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 -1.46 1.68 -0.17 4.41 0.08 -1.10 -4.90 117.98 116.52 3iv6 s PHE 108 Ca 0.22 -0.32 0.16 0.00 0.12 0.00 0.00 56.93 57.11 3iv6 s PHE 108 Cb 0.15 -1.08 0.14 0.00 -0.57 0.00 0.00 43.02 41.66 3iv6 s PHE 108 CO 0.22 -0.03 1.48 -0.44 -0.10 0.00 0.00 175.22 176.36 3iv6 h ASP 109 N 5.68 0.00 -4.00 1.36 3.32 -1.40 -3.39 116.42 117.99 3iv6 h ASP 109 Ca -0.38 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.48 3iv6 h ASP 109 Cb 1.15 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 3iv6 h ASP 109 CO 0.48 0.44 -0.59 -0.36 -1.72 0.00 0.00 179.24 177.49 3iv6 s PHE 110 N -3.02 -0.07 -0.11 4.55 0.08 -0.76 -1.79 117.98 116.86 3iv6 s PHE 110 Ca 0.04 0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.31 3iv6 s PHE 110 Cb 0.07 0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 3iv6 s PHE 110 CO 0.73 -0.09 -0.23 0.08 -0.10 0.00 0.00 175.22 175.60 3iv6 s VAL 111 N -0.22 2.04 0.08 -0.44 1.01 -0.39 -1.14 120.40 121.34 3iv6 s VAL 111 Ca -0.03 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.05 3iv6 s VAL 111 Cb -0.02 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3iv6 s VAL 111 CO 0.00 0.55 -0.26 -0.76 0.00 0.00 0.00 175.10 174.64 3iv6 s LEU 112 N 0.42 2.25 -0.17 3.92 1.43 -0.27 0.33 118.68 126.59 3iv6 s LEU 112 Ca -0.17 -0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 52.01 3iv6 s LEU 112 Cb -0.18 -1.28 0.08 0.00 0.03 0.00 0.00 46.19 44.85 3iv6 s LEU 112 CO 0.07 0.23 0.77 0.54 0.23 0.00 0.00 176.35 178.19 3iv6 s ASN 113 N -1.56 -0.64 -0.34 2.29 2.20 -0.82 -1.39 114.94 114.69 3iv6 s ASN 113 Ca 0.13 0.99 0.01 0.00 -0.94 0.00 0.00 52.86 53.04 3iv6 s ASN 113 Cb -0.10 0.91 0.09 0.00 -2.00 0.00 0.00 41.25 40.15 3iv6 s ASN 113 CO 0.04 -0.39 0.06 -0.62 -2.94 0.00 0.00 177.10 173.25 3iv6 s ASP 114 N -0.41 4.88 -1.75 3.54 2.15 -1.26 -2.36 116.67 121.45 3iv6 s ASP 114 Ca -0.04 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.10 3iv6 s ASP 114 Cb -0.03 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3iv6 s ASP 114 CO 0.04 -0.37 0.00 0.54 -0.17 0.00 0.00 175.17 175.20 3iv6 n ARG 115 N 4.44 -1.65 -0.04 4.34 1.74 -0.52 -4.89 116.66 120.09 3iv6 n ARG 115 Ca -0.04 0.99 -0.10 0.00 -0.77 0.00 0.00 57.85 57.93 3iv6 n ARG 115 Cb 0.42 -5.50 -0.04 0.00 -1.02 0.00 0.00 32.46 26.32 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 0.00 0.22 -2.33 0.55 5.85 -1.83 -3.20 115.31 114.57 3iv6 h LEU 116 Ca -0.42 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3iv6 h LEU 116 Cb 1.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3iv6 h LEU 116 CO 0.54 0.16 0.17 0.40 -0.34 0.00 0.00 178.44 179.37 3iv6 h ILE 117 N 0.25 0.35 0.00 4.05 2.04 -1.90 -0.25 117.51 122.06 3iv6 h ILE 117 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3iv6 h ILE 117 Cb -0.02 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3iv6 h ILE 117 CO -0.01 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 178.91 3iv6 h ASN 118 N 0.00 0.00 -0.04 1.72 4.21 -1.86 -2.43 115.58 117.18 3iv6 h ASN 118 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 3iv6 h ASN 118 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3iv6 h ASN 118 CO -0.00 0.01 0.00 0.54 -1.29 0.00 0.00 177.43 176.69 3iv6 n ARG 119 N -3.10 1.14 -4.40 0.81 5.12 -0.10 -4.54 116.66 111.59 3iv6 n ARG 119 Ca 0.01 -0.18 -0.24 0.00 -1.93 0.00 0.00 57.85 55.51 3iv6 n ARG 119 Cb 0.31 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 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 -1.75 2.48 0.39 -1.55 0.08 -0.92 -4.93 117.98 111.78 3iv6 s PHE 120 Ca 0.03 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.74 3iv6 s PHE 120 Cb 0.02 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.18 3iv6 s PHE 120 CO 0.02 0.59 0.56 0.95 -0.10 0.00 0.00 175.22 177.24 3iv6 s THR 121 N -2.50 3.90 0.20 0.64 -4.23 -1.26 -0.63 115.64 111.77 3iv6 s THR 121 Ca 0.32 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 3iv6 s THR 121 Cb -0.02 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.63 3iv6 s THR 121 CO 0.18 -0.19 1.60 0.74 -0.54 0.00 0.00 174.62 176.40 3iv6 h THR 122 N 0.66 0.22 -0.86 3.99 2.02 -1.95 0.55 112.91 117.55 3iv6 h THR 122 Ca -0.45 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.74 3iv6 h THR 122 Cb 1.26 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3iv6 h THR 122 CO 0.54 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 176.67 3iv6 h GLU 123 N -0.09 1.12 0.18 6.66 3.07 -2.01 -2.47 114.58 121.04 3iv6 h GLU 123 Ca 0.28 -0.07 -0.30 0.00 -0.50 0.00 0.00 59.36 58.77 3iv6 h GLU 123 Cb 0.54 -0.25 0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3iv6 h GLU 123 CO -0.70 0.74 -1.34 1.05 -1.40 0.00 0.00 179.01 177.36 3iv6 h GLU 124 N 1.15 0.41 -0.81 2.33 4.11 -1.58 -3.10 114.58 117.08 3iv6 h GLU 124 Ca 0.32 -0.68 0.20 0.00 0.07 0.00 0.00 59.36 59.26 3iv6 h GLU 124 Cb -0.12 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 29.25 3iv6 h GLU 124 CO -0.07 1.32 0.16 0.00 0.07 0.00 0.00 179.01 180.49 3iv6 h ALA 125 N 0.39 1.07 0.37 1.06 0.00 0.34 0.53 119.26 123.01 3iv6 h ALA 125 Ca -0.19 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iv6 h ALA 125 Cb 2.05 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 3iv6 h ALA 125 CO 0.24 -0.42 -0.28 0.00 0.00 0.00 0.00 179.25 178.79 3iv6 h ARG 126 N 0.20 -0.63 -0.45 0.00 3.08 -1.44 -0.52 114.38 114.62 3iv6 h ARG 126 Ca 0.48 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.66 3iv6 h ARG 126 Cb 0.90 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 3iv6 h ARG 126 CO -0.62 -0.42 0.01 0.00 -1.07 0.00 0.00 179.97 177.88 3iv6 h ARG 127 N -0.65 0.12 -0.13 0.04 3.08 -1.03 -2.14 114.38 113.67 3iv6 h ARG 127 Ca -0.03 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3iv6 h ARG 127 Cb 0.56 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 3iv6 h ARG 127 CO -0.00 0.08 -0.37 0.00 -1.07 0.00 0.00 179.97 178.61 3iv6 h ALA 128 N 1.40 -0.72 -0.85 0.04 0.00 0.26 0.38 119.26 119.76 3iv6 h ALA 128 Ca 0.23 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.32 3iv6 h ALA 128 Cb 0.33 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3iv6 h ALA 128 CO -0.37 -0.86 0.08 0.00 0.00 0.00 0.00 179.25 178.11 3iv6 h LEU 130 N 0.12 0.75 -0.81 0.00 3.38 -0.66 -1.32 115.31 116.76 3iv6 h LEU 130 Ca 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3iv6 h LEU 130 Cb 0.96 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3iv6 h LEU 130 CO -0.72 0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.98 3iv6 n GLY 131 N -1.39 0.00 0.00 0.83 0.00 0.19 -1.38 105.19 103.44 3iv6 n GLY 131 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.29 0.00 -0.21 0.99 4.77 -0.50 -1.02 117.00 121.32 3iv6 n LEU 133 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3iv6 n LEU 133 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3iv6 n LEU 133 CO 0.00 0.00 1.05 -1.28 -1.33 0.00 0.00 177.39 175.83 3iv6 h SER 134 N 0.00 0.42 -0.75 -1.43 0.87 -1.48 -1.14 113.55 110.04 3iv6 h SER 134 Ca 0.00 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3iv6 h SER 134 Cb 0.00 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 3iv6 h SER 134 CO 0.00 0.27 0.46 -0.07 -0.53 0.00 0.00 176.83 176.96 3iv6 h LEU 135 N 0.57 0.73 0.00 2.23 3.38 -1.34 0.02 115.31 120.90 3iv6 h LEU 135 Ca 0.28 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 3iv6 h LEU 135 Cb 0.23 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3iv6 h LEU 135 CO -0.21 0.49 -1.24 -0.37 0.09 0.00 0.00 178.44 177.20 3iv6 h VAL 136 N 0.87 1.23 0.00 1.22 -1.51 -1.68 -2.20 116.25 114.18 3iv6 h VAL 136 Ca 0.31 -2.94 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 3iv6 h VAL 136 Cb 0.09 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3iv6 h VAL 136 CO -0.14 0.70 0.00 0.61 -1.23 0.00 0.00 177.57 177.51 3iv6 n GLY 137 N 1.41 1.18 1.67 5.19 0.00 -0.46 -2.54 105.19 111.65 3iv6 n GLY 137 Ca -0.07 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 10.55 4.99 -1.36 1.61 3.41 -1.26 -4.52 113.62 127.03 3iv6 n SER 138 Ca 0.00 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 3iv6 n SER 138 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 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 0.97 1.47 3.73 5.00 0.00 -1.05 -4.91 105.19 110.39 3iv6 n GLY 139 Ca 0.26 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 1.10 4.88 -0.15 2.61 2.01 -0.74 -4.56 115.64 120.79 3iv6 s THR 140 Ca 0.00 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 3iv6 s THR 140 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3iv6 s THR 140 CO 0.00 0.55 0.02 -0.69 -0.69 0.00 0.00 174.62 173.82 3iv6 s VAL 141 N -0.45 4.46 -0.14 3.82 1.01 -0.69 -1.26 120.40 127.15 3iv6 s VAL 141 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3iv6 s VAL 141 Cb -0.12 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3iv6 s VAL 141 CO 0.02 0.52 -0.18 -0.13 0.00 0.00 0.00 175.10 175.32 3iv6 s ARG 142 N -0.04 2.63 -0.04 2.72 0.52 0.15 -1.62 118.95 123.27 3iv6 s ARG 142 Ca 0.04 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3iv6 s ARG 142 Cb -0.13 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.14 3iv6 s ARG 142 CO 0.02 -0.11 -0.05 0.00 0.02 0.00 0.00 175.30 175.17 3iv6 s ALA 143 N 1.09 0.70 0.10 2.13 0.00 -0.62 -1.94 121.76 123.23 3iv6 s ALA 143 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3iv6 s ALA 143 Cb -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3iv6 s ALA 143 CO -0.06 0.02 0.11 -1.54 0.00 0.00 0.00 175.76 174.29 3iv6 s SER 144 N 0.78 5.61 -0.04 0.00 1.04 -1.00 0.05 113.70 120.15 3iv6 s SER 144 Ca -0.11 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.32 3iv6 s SER 144 Cb -0.14 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.48 3iv6 s SER 144 CO 0.01 0.15 -0.04 -0.69 0.98 0.00 0.00 173.24 173.65 3iv6 s VAL 145 N -1.48 0.45 0.13 5.02 1.01 -1.26 -1.44 120.40 122.83 3iv6 s VAL 145 Ca 0.30 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3iv6 s VAL 145 Cb -0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 36.38 35.71 3iv6 s VAL 145 CO 0.23 0.19 1.35 -0.75 0.00 0.00 0.00 175.10 176.13 3iv6 s LYS 146 N 0.79 4.35 0.02 2.72 2.47 -1.26 -4.47 119.74 124.34 3iv6 s LYS 146 Ca -0.10 2.04 0.00 0.00 -1.56 0.00 0.00 55.97 56.36 3iv6 s LYS 146 Cb -0.13 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 3iv6 s LYS 146 CO -0.00 -0.38 0.08 -0.51 0.16 0.00 0.00 175.35 174.70 3iv6 s LEU 147 N 0.84 3.89 0.00 5.43 1.43 -0.74 -4.54 118.68 124.98 3iv6 s LEU 147 Ca 0.62 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3iv6 s LEU 147 Cb -0.36 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3iv6 s LEU 147 CO 0.32 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.76 3iv6 n GLY 148 N 1.01 -1.29 3.85 -3.19 0.00 0.42 -4.87 105.19 101.12 3iv6 n GLY 148 Ca -0.12 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 3.65 0.72 1.61 0.08 -1.26 -4.26 117.98 118.52 3iv6 s PHE 149 Ca 0.00 0.85 -0.11 0.00 0.12 0.00 0.00 56.93 57.79 3iv6 s PHE 149 Cb 0.00 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 3iv6 s PHE 149 CO 0.00 0.60 1.08 0.71 -0.10 0.00 0.00 175.22 177.51 3iv6 s TYR 150 N -1.21 2.84 0.27 0.36 2.02 -1.26 -4.94 117.35 115.42 3iv6 s TYR 150 Ca 0.27 1.50 -0.02 0.00 -0.37 0.00 0.00 57.07 58.45 3iv6 s TYR 150 Cb -0.15 -2.98 0.44 0.00 -0.40 0.00 0.00 41.96 38.87 3iv6 s TYR 150 CO 0.14 -1.50 1.86 -0.44 -1.57 0.00 0.00 175.55 174.05 3iv6 h ASP 151 N -0.74 0.98 0.50 2.29 3.32 -2.01 0.45 116.42 121.21 3iv6 h ASP 151 Ca -0.44 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 3iv6 h ASP 151 Cb 1.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3iv6 h ASP 151 CO 0.54 0.60 -0.28 -0.29 -1.72 0.00 0.00 179.24 178.09 3iv6 h ILE 152 N 1.10 0.92 0.00 0.35 2.10 -1.93 -2.26 117.51 117.79 3iv6 h ILE 152 Ca 0.45 -1.08 -0.06 0.00 1.08 0.00 0.00 64.86 65.25 3iv6 h ILE 152 Cb 0.26 1.63 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 3iv6 h ILE 152 CO -0.20 0.28 -0.28 0.44 -1.08 0.00 0.00 178.15 177.31 3iv6 h ASP 153 N 0.00 0.00 -0.00 2.19 3.32 -1.27 0.34 116.42 120.99 3iv6 h ASP 153 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iv6 h ASP 153 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3iv6 h ASP 153 CO 0.04 0.28 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.76 3iv6 h LEU 154 N 0.00 0.01 -0.22 1.55 3.38 -1.24 -2.85 115.31 115.94 3iv6 h LEU 154 Ca -0.00 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3iv6 h LEU 154 Cb 0.55 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3iv6 h LEU 154 CO 0.04 0.44 0.04 0.11 0.09 0.00 0.00 178.44 179.15 3iv6 h LYS 155 N -0.42 0.12 -0.34 1.13 6.56 -1.45 0.13 116.57 122.30 3iv6 h LYS 155 Ca 0.00 -0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.68 3iv6 h LYS 155 Cb 0.43 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 3iv6 h LYS 155 CO 0.00 0.08 0.57 -0.07 -2.06 0.00 0.00 179.45 177.97 3iv6 h LEU 156 N 0.12 0.00 0.00 2.94 3.38 -0.93 -0.17 115.31 120.65 3iv6 h LEU 156 Ca 0.10 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.70 3iv6 h LEU 156 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3iv6 h LEU 156 CO -0.14 0.00 -2.38 2.30 0.09 0.00 0.00 178.44 178.31 3iv6 n ILE 157 N -3.29 1.38 0.26 1.22 -5.35 -0.65 -2.91 119.36 110.02 3iv6 n ILE 157 Ca 0.06 -0.73 0.10 0.00 -0.27 0.00 0.00 62.75 61.91 3iv6 n ILE 157 Cb 0.71 -0.80 0.68 0.00 -1.74 0.00 0.00 39.64 38.49 3iv6 n ILE 157 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3iv6 h GLU 158 N 0.00 0.00 -0.03 6.28 4.81 0.57 -1.75 114.58 124.46 3iv6 h GLU 158 Ca -0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3iv6 h GLU 158 Cb 2.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.47 3iv6 h GLU 158 CO -0.01 0.10 0.00 0.66 -0.73 0.00 0.00 179.01 179.02 3iv6 n TYR 159 N -4.07 0.02 -0.06 0.92 4.01 -0.21 -3.59 117.16 114.18 3iv6 n TYR 159 Ca -0.02 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.59 3iv6 n TYR 159 Cb 0.18 -0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 3iv6 n TYR 159 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iv6 n GLY 160 N 0.76 -0.92 0.09 2.72 0.00 -0.90 -3.74 105.19 103.20 3iv6 n GLY 160 Ca 0.08 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3iv6 n GLY 160 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iv6 h GLU 161 N 0.01 0.00 -0.05 1.61 5.08 -1.55 0.53 114.58 120.21 3iv6 h GLU 161 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3iv6 h GLU 161 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 3iv6 h GLU 161 CO 0.05 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 179.00 3iv6 n GLN 162 N -2.31 1.30 -0.79 2.33 7.27 -1.24 -3.71 117.38 120.24 3iv6 n GLN 162 Ca 0.03 -0.45 -0.00 0.00 0.07 0.00 0.00 57.00 56.65 3iv6 n GLN 162 Cb 0.46 -1.39 -0.01 0.00 2.41 0.00 0.00 30.24 31.72 3iv6 n GLN 162 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3iv6 n SER 163 N -0.38 0.05 -4.32 1.69 7.64 -1.24 -5.01 113.62 112.05 3iv6 n SER 163 Ca 0.17 -1.73 -0.38 0.00 1.01 0.00 0.00 58.87 57.94 3iv6 n SER 163 Cb 0.19 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.10 -0.42 0.03 0.23 0.00 -1.17 -4.77 105.19 99.20 3iv6 n GLY 164 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 3iv6 n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iv6 n THR 165 N -4.05 0.42 -0.44 2.61 -1.04 0.35 -4.79 114.28 107.34 3iv6 n THR 165 Ca 0.10 -0.38 0.38 0.00 -2.04 0.00 0.00 64.05 62.11 3iv6 n THR 165 Cb 0.46 -0.29 0.65 0.00 -1.82 0.00 0.00 70.33 69.34 3iv6 n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iv6 h LEU 166 N 0.00 0.24 -0.61 -4.42 5.85 -0.38 1.17 115.31 117.15 3iv6 h LEU 166 Ca -0.17 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iv6 h LEU 166 Cb 1.17 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3iv6 h LEU 166 CO 0.01 -0.23 0.00 0.00 -0.34 0.00 0.00 178.44 177.88 3iv6 h ALA 167 N 1.64 1.00 -0.22 1.25 0.00 -1.85 -1.45 119.26 119.62 3iv6 h ALA 167 Ca 0.84 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.66 3iv6 h ALA 167 Cb 2.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.41 3iv6 h ALA 167 CO -0.47 0.00 -0.28 0.87 0.00 0.00 0.00 179.25 179.38 3iv6 h LYS 168 N 0.00 0.43 0.00 0.00 1.79 0.11 -3.38 116.57 115.51 3iv6 h LYS 168 Ca 0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3iv6 h LYS 168 Cb 0.56 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3iv6 h LYS 168 CO 0.00 0.67 -0.82 1.97 -1.08 0.00 0.00 179.45 180.19 3iv6 n PHE 169 N -4.11 0.00 -2.90 -1.35 -1.74 -1.21 -4.91 117.46 101.24 3iv6 n PHE 169 Ca -0.01 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.45 3iv6 n PHE 169 Cb 0.41 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.37 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 -1.82 2.97 -0.60 2.97 5.99 -0.55 -1.33 117.98 125.61 3iv6 s PHE 170 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 56.93 57.02 3iv6 s PHE 170 Cb 0.00 -3.77 0.09 0.00 0.00 0.00 0.00 43.02 39.33 3iv6 s PHE 170 CO 0.00 -1.01 0.77 0.34 -0.00 0.00 0.00 175.22 175.31 3iv6 s ASP 171 N 2.16 6.19 0.00 6.13 3.68 -0.14 -4.47 116.67 130.23 3iv6 s ASP 171 Ca 0.33 -1.21 0.12 0.00 2.13 0.00 0.00 52.55 53.91 3iv6 s ASP 171 Cb -0.11 -2.33 0.55 0.00 -1.45 0.00 0.00 42.92 39.57 3iv6 s ASP 171 CO 0.24 -1.17 1.32 -2.65 0.13 0.00 0.00 175.17 173.03 3iv6 n PRO 172 N 6.70 0.09 0.00 4.34 -0.02 -1.26 -2.09 135.00 142.77 3iv6 n PRO 172 Ca -0.07 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 3iv6 n PRO 172 Cb 0.44 -1.50 0.67 0.00 -0.02 0.00 0.00 33.50 33.09 3iv6 n PRO 172 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3iv6 n SER 173 N -1.38 0.00 0.00 2.55 3.41 -1.26 -3.71 113.62 113.23 3iv6 n SER 173 Ca 0.04 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3iv6 n SER 173 Cb 0.11 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3iv6 n SER 173 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iv6 n ASP 174 N -1.35 0.00 -3.96 4.04 -0.08 -0.97 -5.00 116.55 109.23 3iv6 n ASP 174 Ca 0.11 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.10 3iv6 n ASP 174 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 3iv6 n ASP 174 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3iv6 n LYS 175 N 0.00 -4.29 -3.62 -0.67 5.02 -0.89 -4.44 118.16 109.28 3iv6 n LYS 175 Ca 0.00 0.50 -0.37 0.00 -2.02 0.00 0.00 58.31 56.42 3iv6 n LYS 175 Cb 0.00 -5.10 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 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 -3.53 5.31 -0.13 -0.18 2.01 -1.11 -0.77 115.64 117.25 3iv6 s THR 176 Ca 0.40 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 3iv6 s THR 176 Cb -0.21 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3iv6 s THR 176 CO 0.87 0.47 0.08 -0.36 -0.69 0.00 0.00 174.62 174.99 3iv6 s PHE 177 N -0.10 3.39 -0.41 4.92 0.08 0.66 -0.97 117.98 125.54 3iv6 s PHE 177 Ca 0.17 0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.50 3iv6 s PHE 177 Cb -0.13 -1.93 0.10 0.00 -0.57 0.00 0.00 43.02 40.49 3iv6 s PHE 177 CO 0.05 0.52 0.21 -1.58 -0.10 0.00 0.00 175.22 174.32 3iv6 s HIS 178 N -0.64 3.51 0.13 0.36 5.65 -0.44 -0.81 115.29 123.05 3iv6 s HIS 178 Ca 0.12 -2.20 -0.13 0.00 0.25 0.00 0.00 55.06 53.10 3iv6 s HIS 178 Cb -0.12 -3.14 -0.03 0.00 -1.18 0.00 0.00 32.58 28.11 3iv6 s HIS 178 CO 0.02 -0.95 1.51 0.74 -0.65 0.00 0.00 174.74 175.42 3iv6 h PHE 179 N 8.14 0.95 -0.66 3.88 0.04 -1.81 -2.67 116.94 124.82 3iv6 h PHE 179 Ca -0.16 -0.23 0.13 0.00 2.80 0.00 0.00 57.97 60.51 3iv6 h PHE 179 Cb 1.06 -0.22 -0.13 0.00 2.20 0.00 0.00 35.95 38.86 3iv6 h PHE 179 CO 0.58 0.99 -0.22 -0.09 -0.60 0.00 0.00 178.31 178.96 3iv6 h ARG 180 N 0.64 -0.05 -0.42 1.51 9.65 -1.80 -2.38 114.38 121.54 3iv6 h ARG 180 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3iv6 h ARG 180 Cb 0.72 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 3iv6 h ARG 180 CO 0.05 -0.03 0.00 -1.91 2.80 0.00 0.00 179.97 180.88 3iv6 n GLU 181 N -5.46 1.53 -0.03 0.20 4.07 -1.01 -3.17 120.64 116.78 3iv6 n GLU 181 Ca 0.07 -0.61 -0.02 0.00 -0.06 0.00 0.00 57.16 56.54 3iv6 n GLU 181 Cb 0.36 -1.31 -0.13 0.00 -0.06 0.00 0.00 31.44 30.30 3iv6 n GLU 181 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3iv6 n ALA 182 N 0.02 1.89 0.00 4.31 0.00 -0.90 -4.39 120.51 121.45 3iv6 n ALA 182 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3iv6 n ALA 182 Cb 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.51 0.34 0.29 0.00 0.00 -1.19 -3.41 105.19 102.73 3iv6 n GLY 183 Ca -0.17 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.21 3iv6 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iv6 n ASP 184 N 6.32 0.89 -0.03 1.61 9.92 -1.26 -3.10 116.55 130.91 3iv6 n ASP 184 Ca 0.00 -1.39 -0.13 0.00 -0.53 0.00 0.00 54.79 52.74 3iv6 n ASP 184 Cb 0.00 -0.02 -0.10 0.00 -0.64 0.00 0.00 41.12 40.36 3iv6 n ASP 184 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3iv6 h VAL 185 N 1.32 1.45 -0.99 2.53 2.07 -1.93 -2.26 116.25 118.44 3iv6 h VAL 185 Ca 0.00 -1.37 0.15 0.00 0.82 0.00 0.00 66.70 66.30 3iv6 h VAL 185 Cb 0.28 2.33 -0.16 0.00 -1.52 0.00 0.00 31.29 32.23 3iv6 h VAL 185 CO 0.00 0.36 -0.40 -0.11 0.02 0.00 0.00 177.57 177.45 3iv6 n LEU 186 N -4.77 -0.66 -0.20 2.57 7.94 -1.18 0.75 117.00 121.46 3iv6 n LEU 186 Ca -0.08 1.73 -0.04 0.00 -1.11 0.00 0.00 56.01 56.51 3iv6 n LEU 186 Cb 0.31 -0.39 0.06 0.00 0.53 0.00 0.00 43.42 43.93 3iv6 n LEU 186 CO 0.35 -1.55 1.08 0.44 -1.11 0.00 0.00 177.39 176.60 3iv6 h ASP 187 N 0.00 0.55 0.52 1.96 5.19 -1.62 -2.09 116.42 120.93 3iv6 h ASP 187 Ca 0.34 0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.59 3iv6 h ASP 187 Cb 0.59 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3iv6 h ASP 187 CO -0.98 0.38 -0.75 -0.09 -3.12 0.00 0.00 179.24 174.68 3iv6 h ARG 188 N 0.67 0.19 0.00 3.56 9.65 -0.68 -3.30 114.38 124.47 3iv6 h ARG 188 Ca 0.24 -0.17 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 3iv6 h ARG 188 Cb 0.06 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 3iv6 h ARG 188 CO -0.12 0.85 -0.52 0.00 2.80 0.00 0.00 179.97 182.98 3iv6 h ALA 189 N 1.10 0.81 -2.53 2.80 0.00 0.90 -3.46 119.26 118.87 3iv6 h ALA 189 Ca -0.02 -0.48 -0.49 0.00 0.00 0.00 0.00 54.91 53.92 3iv6 h ALA 189 Cb 1.32 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 19.07 3iv6 h ALA 189 CO 0.11 0.65 0.43 -1.17 0.00 0.00 0.00 179.25 179.28 3iv6 s LEU 190 N -6.90 3.98 0.12 0.00 2.96 -0.84 -4.82 118.68 113.18 3iv6 s LEU 190 Ca 0.01 2.11 0.07 0.00 -0.22 0.00 0.00 54.13 56.10 3iv6 s LEU 190 Cb 0.10 -4.34 -0.04 0.00 0.50 0.00 0.00 46.19 42.41 3iv6 s LEU 190 CO 0.73 -0.78 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.11 3iv6 s VAL 191 N -1.71 1.53 -0.05 1.68 1.01 -1.26 -5.06 120.40 116.53 3iv6 s VAL 191 Ca 0.64 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3iv6 s VAL 191 Cb -0.23 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 3iv6 s VAL 191 CO 0.28 -0.24 1.90 -2.84 0.00 0.00 0.00 175.10 174.20 3iv6 s PRO 192 N -2.28 3.95 -1.27 2.72 0.02 -1.26 -4.89 135.00 131.99 3iv6 s PRO 192 Ca 0.08 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.29 3iv6 s PRO 192 Cb -0.08 -4.15 0.14 0.00 0.02 0.00 0.00 34.50 30.43 3iv6 s PRO 192 CO 0.04 -1.15 1.68 1.58 -0.33 0.00 0.00 177.00 178.82 3iv6 n HIS 193 N 8.21 4.30 0.00 6.54 -0.00 -1.26 -4.92 115.22 128.09 3iv6 n HIS 193 Ca 0.21 -3.08 0.00 0.00 0.46 0.00 0.00 57.72 55.30 3iv6 n HIS 193 Cb 0.42 -2.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 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 4.05 2.21 0.39 1.57 0.00 -1.26 -3.71 105.19 108.44 3iv6 n GLY 194 Ca 0.41 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 1.69 -4.75 0.99 4.77 -0.94 -4.98 117.00 113.77 3iv6 n LEU 195 Ca 0.00 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.70 3iv6 n LEU 195 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3iv6 n LEU 195 CO 0.00 0.32 0.94 -0.63 -1.33 0.00 0.00 177.39 176.70 3iv6 s ILE 196 N -1.34 3.09 0.47 -0.08 1.01 -1.24 -4.97 121.20 118.14 3iv6 s ILE 196 Ca 0.12 1.00 -0.22 0.00 0.00 0.00 0.00 60.65 61.55 3iv6 s ILE 196 Cb 0.10 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 3iv6 s ILE 196 CO 0.24 0.20 1.17 1.51 0.00 0.00 0.00 174.94 178.06 3iv6 s ASP 197 N -0.21 6.08 0.11 3.58 1.47 -1.26 -4.69 116.67 121.76 3iv6 s ASP 197 Ca 0.51 2.30 -0.27 0.00 1.18 0.00 0.00 52.55 56.28 3iv6 s ASP 197 Cb -0.37 -2.60 -0.08 0.00 -0.34 0.00 0.00 42.92 39.53 3iv6 s ASP 197 CO 0.44 -0.98 1.64 0.50 0.68 0.00 0.00 175.17 177.45 3iv6 h LYS 198 N 1.91 -0.45 -0.86 2.11 3.64 -1.99 -1.00 116.57 119.94 3iv6 h LYS 198 Ca -0.49 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.14 3iv6 h LYS 198 Cb 1.25 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 33.04 3iv6 h LYS 198 CO 0.60 -0.30 0.23 -1.35 -2.27 0.00 0.00 179.45 176.36 3iv6 h PRO 199 N -0.46 0.22 -0.06 1.90 0.11 -1.99 0.24 132.00 131.96 3iv6 h PRO 199 Ca 0.04 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 3iv6 h PRO 199 Cb 0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3iv6 h PRO 199 CO -0.16 0.14 -0.52 1.15 -0.21 0.00 0.00 178.00 178.40 3iv6 h THR 200 N 0.23 1.36 0.29 -1.15 2.02 -1.67 -1.70 112.91 112.28 3iv6 h THR 200 Ca 0.53 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3iv6 h THR 200 Cb 1.05 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3iv6 h THR 200 CO -0.63 0.52 -0.14 -0.07 0.37 0.00 0.00 175.52 175.57 3iv6 h LEU 201 N 0.13 -0.33 -0.37 2.58 3.38 0.54 -1.41 115.31 119.83 3iv6 h LEU 201 Ca 0.00 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3iv6 h LEU 201 Cb 0.96 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 3iv6 h LEU 201 CO 0.08 -0.03 -0.20 -0.07 0.09 0.00 0.00 178.44 178.30 3iv6 h LEU 202 N -0.64 -0.68 -1.84 1.67 3.38 -0.69 0.85 115.31 117.36 3iv6 h LEU 202 Ca -0.04 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3iv6 h LEU 202 Cb 0.45 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3iv6 h LEU 202 CO 0.07 -0.23 -0.11 -0.08 0.09 0.00 0.00 178.44 178.17 3iv6 h GLU 203 N -0.14 0.00 0.04 1.13 4.57 -1.31 -2.70 114.58 116.17 3iv6 h GLU 203 Ca 0.19 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3iv6 h GLU 203 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3iv6 h GLU 203 CO -0.46 0.11 -0.02 2.35 -1.18 0.00 0.00 179.01 179.81 3iv6 h TRP 204 N 0.00 -0.05 -0.41 0.92 7.01 0.26 -2.51 115.95 121.17 3iv6 h TRP 204 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 3iv6 h TRP 204 Cb 0.21 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.21 3iv6 h TRP 204 CO 0.00 0.41 -0.54 1.88 -2.79 0.00 0.00 178.44 177.40 3iv6 h TYR 205 N -0.53 -1.64 -0.61 2.65 -1.99 -1.08 -1.30 116.97 112.48 3iv6 h TYR 205 Ca -0.01 0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.88 3iv6 h TYR 205 Cb 0.48 0.77 -0.04 0.00 2.00 0.00 0.00 36.73 39.94 3iv6 h TYR 205 CO 0.08 -0.49 0.41 0.00 -0.00 0.00 0.00 178.16 178.17 3iv6 h ARG 206 N -0.39 0.50 0.00 4.88 3.08 -1.43 0.60 114.38 121.62 3iv6 h ARG 206 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3iv6 h ARG 206 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3iv6 h ARG 206 CO -0.60 0.33 -0.32 0.54 -1.07 0.00 0.00 179.97 178.86 3iv6 n ARG 207 N -4.48 0.20 0.22 0.04 1.74 -0.95 -2.84 116.66 110.60 3iv6 n ARG 207 Ca 0.09 0.10 0.10 0.00 -0.77 0.00 0.00 57.85 57.37 3iv6 n ARG 207 Cb 0.30 -1.67 0.50 0.00 -1.02 0.00 0.00 32.46 30.56 3iv6 n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iv6 h ARG 208 N 0.00 0.00 0.00 5.56 3.08 0.31 -3.37 114.38 119.96 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3iv6 h ARG 208 CO 0.00 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 3iv6 n GLY 209 N -0.05 2.86 3.62 0.04 0.00 -1.13 -4.69 105.19 105.84 3iv6 n GLY 209 Ca -0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 4.04 -0.08 1.61 1.02 -1.26 -2.64 119.74 122.44 3iv6 s LYS 210 Ca 0.00 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 55.99 3iv6 s LYS 210 Cb 0.00 -3.62 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3iv6 s LYS 210 CO 0.00 -0.17 -0.16 -1.21 -0.92 0.00 0.00 175.35 172.90 3iv6 s GLU 211 N 1.73 2.10 -0.18 1.68 2.02 0.01 -4.19 118.70 121.87 3iv6 s GLU 211 Ca 0.13 -0.55 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 3iv6 s GLU 211 Cb -0.15 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 3iv6 s GLU 211 CO 0.09 0.06 0.64 0.99 0.02 0.00 0.00 175.26 177.06 3iv6 s THR 212 N 0.60 5.02 0.40 3.63 2.01 0.20 -0.25 115.64 127.25 3iv6 s THR 212 Ca -0.15 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.83 3iv6 s THR 212 Cb -0.16 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 3iv6 s THR 212 CO 0.05 0.13 1.01 -0.13 -0.69 0.00 0.00 174.62 174.98 3iv6 s ARG 213 N 1.78 4.21 0.07 4.92 3.00 0.05 -4.83 118.95 128.15 3iv6 s ARG 213 Ca 0.30 1.38 0.06 0.00 0.00 0.00 0.00 55.73 57.46 3iv6 s ARG 213 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 34.95 32.30 3iv6 s ARG 213 CO 0.11 -0.08 -0.16 -0.06 0.00 0.00 0.00 175.30 175.12 3iv6 s PHE 214 N -1.80 1.36 0.29 -0.53 0.08 -1.26 -4.75 117.98 111.38 3iv6 s PHE 214 Ca 0.58 -0.42 0.10 0.00 0.12 0.00 0.00 56.93 57.31 3iv6 s PHE 214 Cb -0.18 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 3iv6 s PHE 214 CO 0.23 0.08 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.85 3iv6 s ASP 215 N -1.62 4.07 0.30 1.36 1.01 -1.26 0.16 116.67 120.69 3iv6 s ASP 215 Ca 0.01 -0.89 0.02 0.00 0.71 0.00 0.00 52.55 52.40 3iv6 s ASP 215 Cb -0.09 -0.55 0.76 0.00 1.01 0.00 0.00 42.92 44.04 3iv6 s ASP 215 CO 0.02 -0.05 1.60 -0.78 0.21 0.00 0.00 175.17 176.18 3iv6 h ASP 216 N 2.02 -0.26 -0.04 0.27 3.58 -1.97 0.13 116.42 120.14 3iv6 h ASP 216 Ca -0.42 0.25 -0.11 0.00 0.42 0.00 0.00 57.03 57.16 3iv6 h ASP 216 Cb 1.25 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 42.68 3iv6 h ASP 216 CO 0.62 -0.29 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.04 3iv6 h GLU 217 N 0.08 0.52 -0.38 0.28 3.07 -1.99 -1.33 114.58 114.83 3iv6 h GLU 217 Ca 0.59 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 3iv6 h GLU 217 Cb 1.23 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 3iv6 h GLU 217 CO -0.81 0.78 0.13 -0.44 -1.40 0.00 0.00 179.01 177.27 3iv6 h ASP 218 N 0.44 0.55 -0.61 1.42 3.32 -1.19 0.33 116.42 120.67 3iv6 h ASP 218 Ca 0.05 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3iv6 h ASP 218 Cb 0.78 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3iv6 h ASP 218 CO 0.06 0.60 0.15 0.58 -1.72 0.00 0.00 179.24 178.91 3iv6 h VAL 219 N 0.47 1.25 -0.54 -1.35 2.07 -1.00 -1.44 116.25 115.72 3iv6 h VAL 219 Ca 0.12 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3iv6 h VAL 219 Cb 0.24 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3iv6 h VAL 219 CO -0.01 0.34 -0.11 0.03 0.02 0.00 0.00 177.57 177.84 3iv6 h ARG 220 N 0.89 1.01 -0.71 1.57 3.08 -1.05 -2.50 114.38 116.67 3iv6 h ARG 220 Ca 0.19 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 59.90 3iv6 h ARG 220 Cb 0.35 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3iv6 h ARG 220 CO 0.00 1.06 0.47 0.00 -1.07 0.00 0.00 179.97 180.43 3iv6 h ALA 221 N 0.96 1.59 -0.40 0.04 0.00 -0.26 -0.54 119.26 120.66 3iv6 h ALA 221 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3iv6 h ALA 221 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3iv6 h ALA 221 CO 0.05 0.33 0.08 1.25 0.00 0.00 0.00 179.25 180.96 3iv6 h LEU 222 N 0.86 0.62 -0.31 0.00 5.85 -0.97 0.20 115.31 121.57 3iv6 h LEU 222 Ca 0.29 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3iv6 h LEU 222 Cb 0.07 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3iv6 h LEU 222 CO -0.08 0.71 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.64 3iv6 h LEU 223 N 0.51 0.00 0.00 2.25 3.38 -1.03 -2.95 115.31 117.47 3iv6 h LEU 223 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iv6 h LEU 223 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iv6 h LEU 223 CO 0.00 0.02 -0.76 -1.54 0.09 0.00 0.00 178.44 176.26 3iv6 n SER 224 N -3.11 0.62 -4.57 -0.43 3.41 -0.25 -4.77 113.62 104.53 3iv6 n SER 224 Ca 0.03 -0.23 -0.38 0.00 -0.26 0.00 0.00 58.87 58.04 3iv6 n SER 224 Cb 0.49 0.50 0.05 0.00 -0.26 0.00 0.00 64.21 64.99 3iv6 n SER 224 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iv6 n HIS 225 N -1.79 0.29 0.06 7.33 -0.00 0.70 -4.83 115.22 116.98 3iv6 n HIS 225 Ca 0.04 0.43 -0.07 0.00 -0.00 0.00 0.00 57.72 58.12 3iv6 n HIS 225 Cb 0.39 -2.07 0.09 0.00 -0.00 0.00 0.00 29.99 28.40 3iv6 n HIS 225 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3iv6 h ASP 226 N 0.31 0.38 -0.11 0.26 3.45 -1.89 -2.35 116.42 116.47 3iv6 h ASP 226 Ca -0.48 -0.22 0.02 0.00 0.43 0.00 0.00 57.03 56.78 3iv6 h ASP 226 Cb 1.38 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 3iv6 h ASP 226 CO 0.49 0.90 0.01 0.58 -1.57 0.00 0.00 179.24 179.65 3iv6 h VAL 227 N 0.25 0.94 -0.09 -1.35 2.07 -1.94 -0.02 116.25 116.10 3iv6 h VAL 227 Ca -0.01 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3iv6 h VAL 227 Cb 1.14 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3iv6 h VAL 227 CO 0.10 0.01 -0.10 0.58 0.02 0.00 0.00 177.57 178.18 3iv6 h VAL 228 N 0.06 1.13 -0.01 2.57 2.07 -1.81 -2.04 116.25 118.22 3iv6 h VAL 228 Ca 0.05 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3iv6 h VAL 228 Cb 0.05 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3iv6 h VAL 228 CO -0.07 0.17 -0.30 0.59 0.02 0.00 0.00 177.57 177.97 3iv6 n ASN 229 N -4.35 1.46 0.29 0.57 3.02 -0.90 -4.37 115.26 110.97 3iv6 n ASN 229 Ca -0.01 -1.18 0.18 0.00 -0.03 0.00 0.00 54.58 53.53 3iv6 n ASN 229 Cb 0.22 0.24 0.89 0.00 -0.61 0.00 0.00 39.78 40.51 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 3.83 1.44 0.00 5.41 0.00 -0.23 -2.37 119.26 127.34 3iv6 h ALA 230 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iv6 h ALA 230 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iv6 h ALA 230 CO 0.00 -0.30 -0.11 0.54 0.00 0.00 0.00 179.25 179.38 3iv6 n ARG 231 N -3.18 1.18 0.00 0.00 1.74 -1.26 -5.04 116.66 110.10 3iv6 n ARG 231 Ca -0.00 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 3iv6 n ARG 231 Cb 0.34 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.26 4.24 3.70 -0.13 0.00 -0.89 -5.10 105.19 105.76 3iv6 n GLY 232 Ca 0.15 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 3.62 -0.27 1.61 5.04 -1.26 -4.38 117.35 119.72 3iv6 s TYR 233 Ca 0.00 1.65 -0.13 0.00 -2.44 0.00 0.00 57.07 56.15 3iv6 s TYR 233 Cb 0.00 -3.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.14 3iv6 s TYR 233 CO 0.00 -0.06 0.27 0.08 -1.34 0.00 0.00 175.55 174.50 3iv6 s VAL 234 N 1.25 5.26 -0.26 3.14 1.01 -1.26 -4.41 120.40 125.12 3iv6 s VAL 234 Ca 0.50 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 3iv6 s VAL 234 Cb -0.20 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3iv6 s VAL 234 CO 0.25 0.23 0.42 -0.89 0.00 0.00 0.00 175.10 175.11 3iv6 s THR 235 N 1.76 5.14 -0.53 3.92 2.01 -0.58 -4.92 115.64 122.44 3iv6 s THR 235 Ca 0.11 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 3iv6 s THR 235 Cb -0.16 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.62 3iv6 s THR 235 CO 0.10 0.14 1.52 -0.22 -0.69 0.00 0.00 174.62 175.46 3iv6 s LEU 236 N 2.11 3.41 -0.10 4.42 2.96 -1.26 -1.44 118.68 128.78 3iv6 s LEU 236 Ca 0.17 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 3iv6 s LEU 236 Cb -0.16 -3.07 -0.24 0.00 0.50 0.00 0.00 46.19 43.22 3iv6 s LEU 236 CO 0.10 -1.78 0.44 -0.62 -1.32 0.00 0.00 176.35 173.17 3iv6 n GLU 237 N 8.66 0.70 -3.96 1.98 1.02 0.45 -4.97 120.64 124.52 3iv6 n GLU 237 Ca 0.15 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.45 3iv6 n GLU 237 Cb 0.49 -1.73 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.57 0.24 -0.32 3.49 1.02 -1.06 -4.97 119.74 115.57 3iv6 s LYS 238 Ca -0.15 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 3iv6 s LYS 238 Cb 0.07 0.06 0.12 0.00 -0.52 0.00 0.00 37.83 37.57 3iv6 s LYS 238 CO 0.79 -0.03 0.20 0.00 -0.92 0.00 0.00 175.35 175.39 3iv6 s ALA 239 N -1.05 0.54 -0.12 5.17 0.00 -1.26 -1.38 121.76 123.67 3iv6 s ALA 239 Ca -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 3iv6 s ALA 239 Cb -0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3iv6 s ALA 239 CO -0.01 -1.89 0.02 0.08 0.00 0.00 0.00 175.76 173.97 3iv6 s VAL 240 N 1.65 4.44 0.00 0.00 1.01 -0.91 -4.94 120.40 121.65 3iv6 s VAL 240 Ca 0.13 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 3iv6 s VAL 240 Cb -0.19 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3iv6 s VAL 240 CO -0.18 0.56 0.82 -0.70 0.00 0.00 0.00 175.10 175.59 3iv6 s GLU 241 N -0.43 4.51 0.13 2.72 2.12 -1.26 -0.55 118.70 125.94 3iv6 s GLU 241 Ca 0.08 1.13 -0.27 0.00 0.36 0.00 0.00 54.97 56.27 3iv6 s GLU 241 Cb -0.12 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 3iv6 s GLU 241 CO 0.02 0.12 0.82 -0.51 -0.54 0.00 0.00 175.26 175.17 3iv6 s LEU 242 N 0.52 4.54 0.05 2.70 1.43 -0.49 -4.93 118.68 122.50 3iv6 s LEU 242 Ca 0.42 1.65 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 3iv6 s LEU 242 Cb -0.20 -3.36 -0.18 0.00 0.03 0.00 0.00 46.19 42.48 3iv6 s LEU 242 CO 0.23 0.10 1.48 -0.65 0.23 0.00 0.00 176.35 177.75 3iv6 h PRO 243 N 4.91 -0.81 0.00 1.29 0.11 -1.95 -3.39 132.00 132.16 3iv6 h PRO 243 Ca -0.45 0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3iv6 h PRO 243 Cb 1.21 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3iv6 h PRO 243 CO 0.69 -0.51 -0.56 -0.44 -0.21 0.00 0.00 178.00 176.97 3iv6 h ASP 244 N -0.94 0.00 -1.71 -2.05 3.45 -1.98 -3.46 116.42 109.73 3iv6 h ASP 244 Ca -0.09 -0.22 -0.68 0.00 0.43 0.00 0.00 57.03 56.48 3iv6 h ASP 244 Cb 0.68 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 39.50 3iv6 h ASP 244 CO 0.14 0.92 0.45 0.00 -1.57 0.00 0.00 179.24 179.18 3iv6 n ALA 245 N -3.32 -0.92 -2.37 3.45 0.00 -1.26 -4.87 120.51 111.22 3iv6 n ALA 245 Ca -0.12 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3iv6 n ALA 245 Cb 0.34 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 3iv6 n ALA 245 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3iv6 s PRO 246 N 0.45 3.70 -1.22 0.00 0.02 -1.26 -3.76 135.00 132.93 3iv6 s PRO 246 Ca 0.84 1.06 -0.09 0.00 0.02 0.00 0.00 61.00 62.82 3iv6 s PRO 246 Cb -0.94 -3.97 -0.01 0.00 0.02 0.00 0.00 34.50 29.59 3iv6 s PRO 246 CO 0.47 -1.40 0.73 -1.71 -0.33 0.00 0.00 177.00 174.76 3iv6 n ASN 247 N 8.38 -3.46 -3.22 2.53 5.15 -1.26 -4.79 115.26 118.60 3iv6 n ASN 247 Ca 0.16 -0.91 -0.15 0.00 -0.60 0.00 0.00 54.58 53.08 3iv6 n ASN 247 Cb 0.47 -3.82 -0.03 0.00 -0.53 0.00 0.00 39.78 35.87 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 -4.11 0.00 -3.70 -0.44 -1.04 -1.25 -1.78 114.28 101.96 3iv6 n THR 248 Ca -0.19 -1.16 -0.12 0.00 -2.04 0.00 0.00 64.05 60.54 3iv6 n THR 248 Cb 0.64 0.25 -0.13 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.09 -0.23 -4.42 0.20 0.29 -1.40 118.68 113.20 3iv6 s LEU 250 Ca 0.01 0.62 -0.06 0.00 0.69 0.00 0.00 54.13 55.39 3iv6 s LEU 250 Cb 0.00 0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 46.58 3iv6 s LEU 250 CO 0.01 -0.19 0.03 -0.31 -0.29 0.00 0.00 176.35 175.60 3iv6 s TYR 251 N 1.67 3.05 -0.22 5.38 2.02 0.11 -2.14 117.35 127.22 3iv6 s TYR 251 Ca -0.06 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 56.01 3iv6 s TYR 251 Cb -0.11 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3iv6 s TYR 251 CO -0.09 -0.39 0.08 -1.14 -1.57 0.00 0.00 175.55 172.44 3iv6 s GLN 252 N 1.48 3.84 0.09 -0.62 0.74 -0.48 -1.58 119.66 123.14 3iv6 s GLN 252 Ca 0.06 -0.40 -0.00 0.00 0.05 0.00 0.00 55.36 55.06 3iv6 s GLN 252 Cb -0.15 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3iv6 s GLN 252 CO 0.02 0.04 -0.01 -0.59 -0.55 0.00 0.00 175.29 174.19 3iv6 s PHE 253 N 1.01 0.76 0.20 1.67 -0.12 -0.64 -0.41 117.98 120.45 3iv6 s PHE 253 Ca 0.04 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 55.87 3iv6 s PHE 253 Cb -0.14 -0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 41.77 3iv6 s PHE 253 CO 0.03 -0.34 0.24 -1.13 -0.05 0.00 0.00 175.22 173.97 3iv6 n SER 254 N -0.01 -0.65 -2.91 1.98 3.41 -0.52 -1.71 113.62 113.20 3iv6 n SER 254 Ca -0.11 -2.18 -0.09 0.00 -0.26 0.00 0.00 58.87 56.24 3iv6 n SER 254 Cb 0.62 1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 65.84 3iv6 n SER 254 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3iv6 s ARG 255 N -2.60 1.02 0.45 4.33 3.52 -1.26 -1.53 118.95 122.89 3iv6 s ARG 255 Ca 0.20 -1.24 0.07 0.00 -0.13 0.00 0.00 55.73 54.63 3iv6 s ARG 255 Cb 0.00 -0.33 0.08 0.00 -1.56 0.00 0.00 34.95 33.14 3iv6 s ARG 255 CO 0.14 -1.33 0.62 0.54 -0.81 0.00 0.00 175.30 174.46 3iv6 n ARG 256 N 3.01 0.67 0.00 5.12 3.00 -1.26 -4.59 116.66 122.60 3iv6 n ARG 256 Ca 0.20 -2.37 0.00 0.00 -0.01 0.00 0.00 57.85 55.67 3iv6 n ARG 256 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.80 3iv6 n ARG 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63