#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iiv s LEU 2 N 0.00 3.32 0.50 0.00 1.43 -1.26 -4.99 118.68 117.67 3iiv s LEU 2 Ca 0.00 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.44 3iiv s LEU 2 Cb 0.00 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 3iiv s LEU 2 CO 0.00 -1.05 1.40 0.00 0.23 0.00 0.00 176.35 176.92 3iiv s ALA 3 N -2.91 3.02 0.27 4.21 0.00 -1.26 -4.96 121.76 120.14 3iiv s ALA 3 Ca 0.58 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.65 3iiv s ALA 3 Cb -0.13 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 3iiv s ALA 3 CO 0.47 -1.30 1.46 0.15 0.00 0.00 0.00 175.76 176.54 3iiv s LYS 4 N -2.69 4.24 -0.01 0.00 -0.14 0.94 -4.97 119.74 117.11 3iiv s LYS 4 Ca 0.67 2.37 -0.01 0.00 -1.36 0.00 0.00 55.97 57.63 3iiv s LYS 4 Cb -0.42 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 3iiv s LYS 4 CO 0.52 -0.45 0.09 1.03 -0.76 0.00 0.00 175.35 175.78 3iiv s ARG 5 N -0.61 3.11 -0.24 1.68 0.52 -0.73 -4.46 118.95 118.22 3iiv s ARG 5 Ca 0.59 -0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 3iiv s ARG 5 Cb -0.43 -2.89 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 3iiv s ARG 5 CO 0.46 0.65 -0.02 0.42 0.02 0.00 0.00 175.30 176.83 3iiv s ILE 6 N -1.20 3.44 -0.02 1.52 -1.09 -1.26 -0.74 121.20 121.86 3iiv s ILE 6 Ca 0.23 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 3iiv s ILE 6 Cb -0.12 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3iiv s ILE 6 CO 0.14 0.34 -0.11 -1.81 -1.23 0.00 0.00 174.94 172.27 3iiv s ASP 7 N 1.47 4.32 -0.12 3.58 1.11 -0.04 -1.14 116.67 125.85 3iiv s ASP 7 Ca 0.05 -0.18 -0.01 0.00 0.18 0.00 0.00 52.55 52.59 3iiv s ASP 7 Cb -0.15 -0.95 -0.02 0.00 1.07 0.00 0.00 42.92 42.86 3iiv s ASP 7 CO -0.02 0.31 -0.08 0.00 1.18 0.00 0.00 175.17 176.56 3iiv s ALA 8 N -0.87 2.87 -0.11 5.23 0.00 -0.71 -2.00 121.76 126.17 3iiv s ALA 8 Ca 0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3iiv s ALA 8 Cb -0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3iiv s ALA 8 CO 0.04 0.34 -0.00 0.00 0.00 0.00 0.00 175.76 176.14 3iiv s ALA 9 N -0.02 3.22 -0.12 0.00 0.00 -0.26 -1.39 121.76 123.20 3iiv s ALA 9 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3iiv s ALA 9 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3iiv s ALA 9 CO 0.03 0.47 -0.23 -0.51 0.00 0.00 0.00 175.76 175.53 3iiv s LEU 10 N -0.50 2.07 -0.14 0.00 1.02 -0.13 -4.48 118.68 116.51 3iiv s LEU 10 Ca 0.09 -0.57 -0.13 0.00 0.02 0.00 0.00 54.13 53.54 3iiv s LEU 10 Cb -0.12 -1.40 -0.05 0.00 0.02 0.00 0.00 46.19 44.65 3iiv s LEU 10 CO 0.02 0.12 0.27 -0.63 0.02 0.00 0.00 176.35 176.15 3iiv s ILE 11 N 0.56 5.31 0.06 -0.59 -1.09 -1.26 -1.09 121.20 123.10 3iiv s ILE 11 Ca -0.14 0.50 0.09 0.00 -2.23 0.00 0.00 60.65 58.88 3iiv s ILE 11 Cb -0.17 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3iiv s ILE 11 CO 0.04 0.44 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.18 3iiv s LEU 12 N 0.11 2.20 -0.15 2.97 1.43 0.05 -0.14 118.68 125.14 3iiv s LEU 12 Ca 0.16 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3iiv s LEU 12 Cb -0.13 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 44.96 3iiv s LEU 12 CO 0.04 0.22 0.36 -0.75 0.23 0.00 0.00 176.35 176.45 3iiv s LYS 13 N -1.38 0.32 -1.54 1.70 2.20 -0.04 -0.54 119.74 120.46 3iiv s LYS 13 Ca 0.11 0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 56.36 3iiv s LYS 13 Cb -0.10 0.00 0.09 0.00 -1.51 0.00 0.00 37.83 36.31 3iiv s LYS 13 CO 0.03 -0.18 0.84 -0.25 -0.36 0.00 0.00 175.35 175.42 3iiv n ASP 14 N 4.51 -3.48 0.00 1.43 8.00 -1.26 -1.62 116.55 124.13 3iiv n ASP 14 Ca -0.20 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3iiv n ASP 14 Cb 0.53 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 3iiv n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iiv n GLY 15 N -1.64 1.07 3.62 0.44 0.00 -1.26 -5.01 105.19 102.41 3iiv n GLY 15 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3iiv n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iiv s ARG 16 N -0.09 2.32 -0.26 1.61 1.81 -0.64 -4.40 118.95 119.30 3iiv s ARG 16 Ca 0.00 -0.93 -0.29 0.00 -1.72 0.00 0.00 55.73 52.79 3iiv s ARG 16 Cb 0.00 -2.41 -0.00 0.00 -0.45 0.00 0.00 34.95 32.09 3iiv s ARG 16 CO 0.00 0.53 1.25 0.08 -0.68 0.00 0.00 175.30 176.47 3iiv s VAL 17 N -1.24 4.26 0.08 3.52 1.01 -0.40 -0.86 120.40 126.78 3iiv s VAL 17 Ca 0.23 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.37 3iiv s VAL 17 Cb -0.11 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3iiv s VAL 17 CO 0.15 -0.35 1.91 0.52 0.00 0.00 0.00 175.10 177.33 3iiv n VAL 18 N 5.85 0.56 -0.72 2.92 0.31 0.80 -1.27 118.33 126.77 3iiv n VAL 18 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3iiv n VAL 18 Cb 0.46 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 3iiv n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iiv n LYS 19 N 6.54 0.00 0.00 5.55 5.02 -1.26 -4.81 118.16 129.20 3iiv n LYS 19 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3iiv n LYS 19 Cb 0.39 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 3iiv n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iiv n GLY 20 N -2.00 1.63 3.61 0.72 0.00 -0.40 -4.94 105.19 103.81 3iiv n GLY 20 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3iiv n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iiv s SER 21 N -4.00 -0.12 -0.14 1.61 1.04 -1.14 -4.88 113.70 106.07 3iiv s SER 21 Ca 0.00 -0.85 0.16 0.00 0.48 0.00 0.00 55.95 55.73 3iiv s SER 21 Cb 0.00 0.60 0.71 0.00 0.10 0.00 0.00 66.02 67.43 3iiv s SER 21 CO 0.00 -1.15 1.60 0.59 0.98 0.00 0.00 173.24 175.26 3iiv n ASN 22 N -0.38 4.80 -4.53 7.02 3.02 0.31 -4.80 115.26 120.71 3iiv n ASN 22 Ca -0.03 -2.57 -0.43 0.00 -0.03 0.00 0.00 54.58 51.52 3iiv n ASN 22 Cb 0.62 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3iiv n ASN 22 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iiv s PHE 23 N -2.10 3.06 0.21 3.10 0.40 -1.26 -4.80 117.98 116.60 3iiv s PHE 23 Ca 0.49 -1.77 0.33 0.00 -0.60 0.00 0.00 56.93 55.38 3iiv s PHE 23 Cb 0.34 -4.56 1.78 0.00 0.51 0.00 0.00 43.02 41.08 3iiv s PHE 23 CO 0.20 -1.64 2.02 0.93 0.70 0.00 0.00 175.22 177.43 3iiv h GLU 24 N 7.60 0.00 0.00 0.44 5.08 -1.98 -2.18 114.58 123.53 3iiv h GLU 24 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3iiv h GLU 24 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3iiv h GLU 24 CO 1.36 0.00 -0.10 -2.95 -1.00 0.00 0.00 179.01 176.32 3iiv h ASN 25 N 0.00 0.00 -4.04 1.42 -1.07 -2.01 -3.44 115.58 106.44 3iiv h ASN 25 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.92 3iiv h ASN 25 Cb 0.05 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.29 3iiv h ASN 25 CO 0.00 0.10 0.35 -0.76 0.07 0.00 0.00 177.43 177.20 3iiv s LEU 26 N -6.55 3.98 0.23 6.14 1.43 -0.82 -4.96 118.68 118.14 3iiv s LEU 26 Ca 0.00 1.77 -0.07 0.00 -1.03 0.00 0.00 54.13 54.80 3iiv s LEU 26 Cb 0.10 -4.47 0.25 0.00 0.03 0.00 0.00 46.19 42.11 3iiv s LEU 26 CO 0.58 -0.41 1.89 -0.09 0.23 0.00 0.00 176.35 178.55 3iiv h ARG 27 N 2.02 1.10 -2.49 1.70 2.43 -1.88 -3.38 114.38 113.87 3iiv h ARG 27 Ca -0.49 -0.07 -0.43 0.00 -0.81 0.00 0.00 59.98 58.19 3iiv h ARG 27 Cb 1.19 -0.25 -0.37 0.00 -0.42 0.00 0.00 29.97 30.12 3iiv h ARG 27 CO 0.61 0.73 -0.71 0.34 -1.51 0.00 0.00 179.97 179.43 3iiv s ASP 28 N -5.93 2.59 0.19 -3.80 -1.08 -1.26 -5.00 116.67 102.38 3iiv s ASP 28 Ca -0.13 -0.99 0.21 0.00 -0.52 0.00 0.00 52.55 51.12 3iiv s ASP 28 Cb 0.17 0.07 0.88 0.00 -1.46 0.00 0.00 42.92 42.59 3iiv s ASP 28 CO 0.80 -0.41 1.64 -1.54 0.52 0.00 0.00 175.17 176.17 3iiv n SER 29 N 5.28 0.49 -1.17 -0.34 3.41 -1.26 -1.79 113.62 118.24 3iiv n SER 29 Ca -0.04 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3iiv n SER 29 Cb 0.44 -0.73 0.26 0.00 -0.26 0.00 0.00 64.21 63.92 3iiv n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iiv n GLY 30 N -0.10 2.22 3.64 5.00 0.00 -1.26 -2.89 105.19 111.79 3iiv n GLY 30 Ca 0.02 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3iiv n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iiv s ASP 31 N -1.15 6.84 0.41 1.61 2.15 -0.74 -1.27 116.67 124.52 3iiv s ASP 31 Ca 0.41 0.99 0.10 0.00 0.43 0.00 0.00 52.55 54.48 3iiv s ASP 31 Cb 0.22 -2.46 0.86 0.00 -0.30 0.00 0.00 42.92 41.25 3iiv s ASP 31 CO 0.30 -0.62 1.97 1.55 -0.17 0.00 0.00 175.17 178.19 3iiv h PRO 32 N 7.83 0.24 -0.03 4.34 0.13 -1.90 -0.16 132.00 142.46 3iiv h PRO 32 Ca -0.22 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3iiv h PRO 32 Cb 1.08 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3iiv h PRO 32 CO 0.92 0.32 -0.05 0.28 -0.23 0.00 0.00 178.00 179.24 3iiv h VAL 33 N 0.24 1.43 -0.63 1.56 2.07 -1.92 0.06 116.25 119.05 3iiv h VAL 33 Ca 0.05 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 3iiv h VAL 33 Cb 0.26 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3iiv h VAL 33 CO 0.01 0.36 0.27 -0.08 0.02 0.00 0.00 177.57 178.15 3iiv h GLU 34 N -0.44 0.92 -0.22 1.57 4.81 -1.84 -0.37 114.58 119.01 3iiv h GLU 34 Ca 0.00 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3iiv h GLU 34 Cb 0.61 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3iiv h GLU 34 CO 0.01 0.77 -0.10 1.25 -0.73 0.00 0.00 179.01 180.21 3iiv h LEU 35 N 0.87 0.47 -0.52 1.64 5.85 -1.06 -1.34 115.31 121.22 3iiv h LEU 35 Ca 0.21 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3iiv h LEU 35 Cb 0.17 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3iiv h LEU 35 CO -0.02 0.77 0.34 1.23 -0.34 0.00 0.00 178.44 180.42 3iiv h GLY 36 N 0.17 0.73 0.98 3.75 0.00 -0.87 -0.60 103.07 107.24 3iiv h GLY 36 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3iiv h GLY 36 CO 0.03 0.26 0.17 1.70 0.00 0.00 0.00 176.54 178.70 3iiv h LYS 37 N 0.70 0.36 -0.32 4.80 1.63 -1.01 -1.20 116.57 121.52 3iiv h LYS 37 Ca 0.19 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 3iiv h LYS 37 Cb -0.07 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.43 3iiv h LYS 37 CO -0.05 0.27 -0.03 0.35 -3.45 0.00 0.00 179.45 176.54 3iiv h PHE 38 N 0.34 -0.08 -0.90 1.91 3.57 -0.98 -1.51 116.94 119.29 3iiv h PHE 38 Ca 0.10 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3iiv h PHE 38 Cb 0.00 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 3iiv h PHE 38 CO -0.05 -0.09 0.59 1.88 -2.23 0.00 0.00 178.31 178.41 3iiv h TYR 39 N 0.05 1.09 0.00 0.41 0.05 -0.76 -0.72 116.97 117.09 3iiv h TYR 39 Ca 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 3iiv h TYR 39 Cb 0.22 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.60 3iiv h TYR 39 CO -0.26 0.63 -0.07 0.66 -1.05 0.00 0.00 178.16 178.07 3iiv h SER 40 N 1.13 0.00 0.31 3.88 4.64 -0.35 -2.15 113.55 121.00 3iiv h SER 40 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3iiv h SER 40 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3iiv h SER 40 CO -0.11 0.07 -0.37 -0.62 -0.87 0.00 0.00 176.83 174.93 3iiv n GLU 41 N -3.37 0.55 0.00 4.77 1.02 -0.32 -4.33 120.64 118.96 3iiv n GLU 41 Ca -0.01 -0.33 0.01 0.00 -0.02 0.00 0.00 57.16 56.81 3iiv n GLU 41 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3iiv n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3iiv n ILE 42 N -0.94 0.00 0.00 -3.67 -5.35 -0.94 -3.22 119.36 105.24 3iiv n ILE 42 Ca 0.10 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 3iiv n ILE 42 Cb 0.35 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3iiv n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iiv n GLY 43 N 0.44 0.26 3.75 3.28 0.00 -1.16 -4.27 105.19 107.49 3iiv n GLY 43 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3iiv n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iiv s ILE 44 N -1.21 3.18 -0.05 -0.61 -1.09 -0.84 -4.89 121.20 115.69 3iiv s ILE 44 Ca 0.00 1.05 -0.22 0.00 -2.23 0.00 0.00 60.65 59.24 3iiv s ILE 44 Cb 0.00 -3.67 -0.30 0.00 -1.58 0.00 0.00 42.46 36.92 3iiv s ILE 44 CO 0.00 0.19 0.92 0.44 -1.23 0.00 0.00 174.94 175.26 3iiv h ASP 45 N 4.68 0.44 -5.17 3.58 3.32 -1.46 -3.43 116.42 118.39 3iiv h ASP 45 Ca -0.46 -0.93 -0.11 0.00 0.02 0.00 0.00 57.03 55.56 3iiv h ASP 45 Cb 1.22 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 3iiv h ASP 45 CO 0.73 1.33 -0.51 -1.61 -1.72 0.00 0.00 179.24 177.46 3iiv s GLU 46 N -2.55 0.70 0.06 3.56 2.02 -1.21 -4.26 118.70 117.02 3iiv s GLU 46 Ca -0.14 -1.00 0.08 0.00 0.02 0.00 0.00 54.97 53.93 3iiv s GLU 46 Cb 0.01 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 3iiv s GLU 46 CO 0.82 -0.18 -0.22 -0.51 0.02 0.00 0.00 175.26 175.19 3iiv s LEU 47 N -2.71 2.20 0.01 1.80 1.43 -0.58 -1.73 118.68 119.11 3iiv s LEU 47 Ca 0.03 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3iiv s LEU 47 Cb 0.05 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 3iiv s LEU 47 CO -0.09 0.15 -0.18 -0.94 0.23 0.00 0.00 176.35 175.53 3iiv s SER 48 N -1.38 2.08 -0.16 2.29 1.04 -0.48 -0.63 113.70 116.46 3iiv s SER 48 Ca 0.08 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.12 3iiv s SER 48 Cb -0.09 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.85 3iiv s SER 48 CO 0.03 0.16 -0.18 -0.36 0.98 0.00 0.00 173.24 173.87 3iiv s PHE 49 N -0.61 2.50 -0.26 5.02 0.08 0.07 -0.95 117.98 123.82 3iiv s PHE 49 Ca 0.06 -1.40 0.01 0.00 0.12 0.00 0.00 56.93 55.71 3iiv s PHE 49 Cb -0.07 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.67 3iiv s PHE 49 CO 0.00 -0.71 -0.08 -0.46 -0.10 0.00 0.00 175.22 173.88 3iiv s TRP 50 N 1.26 3.19 -0.29 0.36 -0.11 -0.25 -2.25 118.94 120.85 3iiv s TRP 50 Ca 0.02 -2.00 -0.14 0.00 1.22 0.00 0.00 56.10 55.19 3iiv s TRP 50 Cb -0.13 -2.00 -0.03 0.00 -1.50 0.00 0.00 33.47 29.80 3iiv s TRP 50 CO -0.10 -0.83 0.35 0.34 -4.62 0.00 0.00 176.95 172.10 3iiv s ASP 51 N 1.20 6.20 0.00 5.86 2.15 0.48 -0.77 116.67 131.79 3iiv s ASP 51 Ca -0.05 0.10 0.24 0.00 0.43 0.00 0.00 52.55 53.26 3iiv s ASP 51 Cb -0.19 -2.20 0.43 0.00 -0.30 0.00 0.00 42.92 40.67 3iiv s ASP 51 CO -0.04 -0.21 1.40 2.30 -0.17 0.00 0.00 175.17 178.44 3iiv n ILE 52 N 5.15 0.25 -1.70 4.11 -5.35 0.30 -4.24 119.36 117.87 3iiv n ILE 52 Ca -0.09 -0.57 -0.43 0.00 -0.27 0.00 0.00 62.75 61.38 3iiv n ILE 52 Cb 0.50 1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 39.42 3iiv n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3iiv n THR 53 N 1.20 0.02 -0.04 7.28 -1.04 -1.26 -4.94 114.28 115.51 3iiv n THR 53 Ca 0.17 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 62.03 3iiv n THR 53 Cb 0.55 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 67.07 3iiv n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iiv n ALA 54 N 3.77 1.27 -1.88 2.41 0.00 -1.26 -4.95 120.51 119.87 3iiv n ALA 54 Ca 0.16 -0.83 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 3iiv n ALA 54 Cb 0.33 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 3iiv n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iiv s SER 55 N -6.40 6.84 0.45 0.00 0.15 -1.26 -4.92 113.70 108.56 3iiv s SER 55 Ca -0.16 2.54 0.15 0.00 0.70 0.00 0.00 55.95 59.19 3iiv s SER 55 Cb 0.07 -2.63 1.09 0.00 -1.71 0.00 0.00 66.02 62.84 3iiv s SER 55 CO 0.78 -0.53 1.99 0.58 1.20 0.00 0.00 173.24 177.25 3iiv h VAL 56 N 3.41 0.87 0.00 4.45 2.07 -2.05 -2.22 116.25 122.79 3iiv h VAL 56 Ca -0.47 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3iiv h VAL 56 Cb 1.22 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3iiv h VAL 56 CO 0.72 0.06 -0.02 -0.33 0.02 0.00 0.00 177.57 178.02 3iiv h GLU 57 N 0.34 0.00 -3.97 1.57 5.08 -2.01 -3.42 114.58 112.16 3iiv h GLU 57 Ca 0.27 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.85 3iiv h GLU 57 Cb 0.60 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.60 3iiv h GLU 57 CO -0.07 0.02 0.51 0.15 -1.00 0.00 0.00 179.01 178.63 3iiv s LYS 58 N -3.93 3.94 0.00 2.33 1.02 -0.84 -4.73 119.74 117.53 3iiv s LYS 58 Ca -0.02 -2.74 0.00 0.00 0.02 0.00 0.00 55.97 53.23 3iiv s LYS 58 Cb 0.11 -4.63 0.00 0.00 -0.52 0.00 0.00 37.83 32.79 3iiv s LYS 58 CO 0.50 -1.39 0.00 1.17 -0.92 0.00 0.00 175.35 174.72 3iiv n LYS 60 N 3.92 0.00 -0.16 1.68 4.81 -1.26 -3.18 118.16 123.98 3iiv n LYS 60 Ca 0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 3iiv n LYS 60 Cb 0.43 -0.04 0.01 0.00 0.02 0.00 0.00 35.03 35.45 3iiv n LYS 60 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3iiv h THR 61 N 0.00 1.18 -0.56 3.15 2.02 -1.96 0.96 112.91 117.70 3iiv h THR 61 Ca 0.00 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3iiv h THR 61 Cb 0.00 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3iiv h THR 61 CO 0.00 0.19 0.20 -0.03 0.37 0.00 0.00 175.52 176.25 3iiv h MET 62 N 0.61 0.86 -0.47 6.66 1.85 -1.97 -0.77 114.93 121.70 3iiv h MET 62 Ca 0.16 -0.17 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3iiv h MET 62 Cb 0.09 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 31.95 3iiv h MET 62 CO -0.02 0.76 0.23 -0.07 -0.40 0.00 0.00 176.91 177.41 3iiv h LEU 63 N 0.78 0.34 -1.33 3.39 3.38 -1.76 -0.36 115.31 119.75 3iiv h LEU 63 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3iiv h LEU 63 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iiv h LEU 63 CO -0.01 0.24 0.21 -0.33 0.09 0.00 0.00 178.44 178.64 3iiv h GLU 64 N 0.47 0.67 -0.31 1.13 5.08 -0.53 -2.18 114.58 118.91 3iiv h GLU 64 Ca 0.21 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3iiv h GLU 64 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3iiv h GLU 64 CO -0.15 0.54 -0.07 1.25 -1.00 0.00 0.00 179.01 179.58 3iiv h LEU 65 N 0.68 0.60 -1.06 1.33 5.85 -0.28 -2.44 115.31 119.99 3iiv h LEU 65 Ca 0.17 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3iiv h LEU 65 Cb 0.10 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3iiv h LEU 65 CO -0.02 0.82 0.36 -0.37 -0.34 0.00 0.00 178.44 178.89 3iiv h VAL 66 N 0.37 1.23 -0.61 1.05 -1.51 -0.68 0.03 116.25 116.12 3iiv h VAL 66 Ca 0.08 -0.62 0.10 0.00 -1.23 0.00 0.00 66.70 65.03 3iiv h VAL 66 Cb 0.56 0.29 -0.07 0.00 -2.13 0.00 0.00 31.29 29.93 3iiv h VAL 66 CO 0.03 0.26 0.22 -0.33 -1.23 0.00 0.00 177.57 176.52 3iiv h GLU 67 N 1.02 0.38 -0.36 5.19 5.08 -1.33 0.16 114.58 124.73 3iiv h GLU 67 Ca 0.25 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3iiv h GLU 67 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3iiv h GLU 67 CO -0.03 0.25 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.92 3iiv h LYS 68 N 0.39 0.69 -0.00 2.33 3.64 -0.89 -1.61 116.57 121.12 3iiv h LYS 68 Ca 0.31 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3iiv h LYS 68 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3iiv h LYS 68 CO -0.32 0.85 -0.04 0.28 -2.27 0.00 0.00 179.45 177.95 3iiv h VAL 69 N 0.48 0.90 -0.71 2.00 2.07 -0.72 -2.12 116.25 118.14 3iiv h VAL 69 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3iiv h VAL 69 Cb 0.59 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3iiv h VAL 69 CO 0.04 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.09 3iiv h ALA 70 N 0.93 1.84 -0.13 1.67 0.00 -0.61 -0.13 119.26 122.83 3iiv h ALA 70 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3iiv h ALA 70 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iiv h ALA 70 CO -0.04 0.02 -0.54 0.93 0.00 0.00 0.00 179.25 179.62 3iiv h GLU 71 N 0.62 0.37 0.00 0.00 5.08 -0.98 -3.36 114.58 116.30 3iiv h GLU 71 Ca 0.32 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3iiv h GLU 71 Cb 0.44 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3iiv h GLU 71 CO -0.11 0.81 -1.79 1.04 -1.00 0.00 0.00 179.01 177.96 3iiv n GLN 72 N -3.94 0.60 -3.98 2.33 6.02 -0.82 -4.93 117.38 112.66 3iiv n GLN 72 Ca -0.02 -0.14 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 3iiv n GLN 72 Cb 0.58 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 30.30 3iiv n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iiv s ILE 73 N -3.07 2.72 -0.58 5.09 1.01 -0.10 -4.96 121.20 121.31 3iiv s ILE 73 Ca -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 3iiv s ILE 73 Cb 0.10 -2.41 0.42 0.00 0.01 0.00 0.00 42.46 40.58 3iiv s ILE 73 CO 0.68 0.17 2.01 0.47 0.00 0.00 0.00 174.94 178.27 3iiv n ASP 74 N 4.63 7.09 -4.43 3.58 8.00 -1.26 -4.70 116.55 129.46 3iiv n ASP 74 Ca -0.16 -3.63 -0.21 0.00 0.71 0.00 0.00 54.79 51.50 3iiv n ASP 74 Cb 0.46 -0.98 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 3iiv n ASP 74 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3iiv s ILE 75 N -4.20 1.74 0.32 0.53 -4.36 -1.26 -5.12 121.20 108.85 3iiv s ILE 75 Ca 0.58 -2.16 -0.29 0.00 -0.26 0.00 0.00 60.65 58.52 3iiv s ILE 75 Cb 0.46 -2.40 -0.12 0.00 1.25 0.00 0.00 42.46 41.65 3iiv s ILE 75 CO 0.00 -0.34 1.48 -2.65 0.24 0.00 0.00 174.94 173.67 3iiv n PRO 76 N -0.57 2.49 -4.79 0.37 -0.02 -1.26 -4.86 135.00 126.36 3iiv n PRO 76 Ca -0.06 0.88 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 3iiv n PRO 76 Cb 0.63 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 3iiv n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iiv s ILE 77 N -0.58 2.41 -0.10 4.25 -1.09 -1.26 -1.53 121.20 123.31 3iiv s ILE 77 Ca 0.59 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3iiv s ILE 77 Cb -0.52 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.35 3iiv s ILE 77 CO 0.56 0.54 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.84 3iiv s THR 78 N 0.62 3.57 0.11 2.92 2.01 0.20 -1.49 115.64 123.58 3iiv s THR 78 Ca -0.10 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.44 3iiv s THR 78 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3iiv s THR 78 CO 0.03 0.56 -0.13 0.68 -0.69 0.00 0.00 174.62 175.07 3iiv s VAL 79 N -0.33 1.21 -3.48 3.82 -7.23 -0.16 -0.75 120.40 113.48 3iiv s VAL 79 Ca 0.04 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3iiv s VAL 79 Cb -0.13 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3iiv s VAL 79 CO 0.02 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 3iiv n GLY 80 N 0.64 -0.52 0.00 2.32 0.00 -0.95 -0.83 105.19 105.84 3iiv n GLY 80 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3iiv n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iiv n GLY 81 N 0.00 1.34 0.75 -0.02 0.00 -1.26 -0.39 105.19 105.61 3iiv n GLY 81 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.62 3iiv n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iiv n GLY 82 N 0.00 2.18 3.71 -0.02 0.00 -1.26 -4.87 105.19 104.92 3iiv n GLY 82 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3iiv n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iiv s ILE 83 N -1.03 2.83 0.00 -0.61 1.01 -1.26 -4.88 121.20 117.26 3iiv s ILE 83 Ca 0.22 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3iiv s ILE 83 Cb 0.23 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3iiv s ILE 83 CO -0.06 0.03 0.32 0.00 0.00 0.00 0.00 174.94 175.23 3iiv n TYR 84 N 4.31 0.00 -3.82 3.97 0.18 -1.26 -4.68 117.16 115.87 3iiv n TYR 84 Ca 0.14 -0.03 -0.02 0.00 1.88 0.00 0.00 57.90 59.87 3iiv n TYR 84 Cb 0.40 -0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.36 3iiv n TYR 84 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3iiv s ASP 85 N -0.06 -0.05 0.28 9.48 -4.77 -1.26 -5.06 116.67 115.22 3iiv s ASP 85 Ca 0.00 -0.45 -0.04 0.00 -3.30 0.00 0.00 52.55 48.76 3iiv s ASP 85 Cb 0.00 0.40 0.37 0.00 -1.09 0.00 0.00 42.92 42.59 3iiv s ASP 85 CO 0.00 -0.77 1.94 0.15 0.70 0.00 0.00 175.17 177.19 3iiv h PHE 86 N 2.00 1.11 -0.37 2.11 3.57 -1.99 -2.85 116.94 120.51 3iiv h PHE 86 Ca -0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 3iiv h PHE 86 Cb 1.21 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3iiv h PHE 86 CO 0.92 0.72 0.15 1.49 -2.23 0.00 0.00 178.31 179.36 3iiv h GLU 87 N 1.18 0.56 -0.76 1.11 4.81 -1.98 0.18 114.58 119.69 3iiv h GLU 87 Ca 0.31 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3iiv h GLU 87 Cb -0.09 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 3iiv h GLU 87 CO -0.06 0.54 0.42 1.79 -0.73 0.00 0.00 179.01 180.97 3iiv h THR 88 N 0.46 1.23 -0.19 0.32 1.35 -1.94 0.19 112.91 114.32 3iiv h THR 88 Ca 0.12 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 3iiv h THR 88 Cb 0.19 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 3iiv h THR 88 CO -0.01 0.25 0.04 0.00 -0.25 0.00 0.00 175.52 175.55 3iiv h ALA 89 N 1.22 0.25 -0.34 6.62 0.00 -1.26 -2.93 119.26 122.82 3iiv h ALA 89 Ca 0.27 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3iiv h ALA 89 Cb 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3iiv h ALA 89 CO -0.04 -0.09 0.03 1.03 0.00 0.00 0.00 179.25 180.17 3iiv h SER 90 N 0.11 -0.08 -0.70 0.00 0.87 -0.45 -2.74 113.55 110.56 3iiv h SER 90 Ca 0.06 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3iiv h SER 90 Cb 0.29 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 3iiv h SER 90 CO 0.00 -0.00 0.34 -0.33 -0.53 0.00 0.00 176.83 176.31 3iiv h GLU 91 N 0.13 0.57 -0.62 2.24 5.08 -0.92 -1.26 114.58 119.80 3iiv h GLU 91 Ca 0.17 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3iiv h GLU 91 Cb 0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3iiv h GLU 91 CO -0.25 0.38 0.30 -0.07 -1.00 0.00 0.00 179.01 178.36 3iiv h LEU 92 N 0.59 0.81 -0.10 1.33 3.38 -1.31 -1.39 115.31 118.63 3iiv h LEU 92 Ca 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3iiv h LEU 92 Cb 0.36 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iiv h LEU 92 CO -0.27 0.71 0.02 0.40 0.09 0.00 0.00 178.44 179.40 3iiv h ILE 93 N 0.85 1.20 -0.45 1.22 2.04 -1.19 -2.78 117.51 118.41 3iiv h ILE 93 Ca 0.21 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3iiv h ILE 93 Cb 0.12 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3iiv h ILE 93 CO -0.03 0.18 0.30 -0.07 0.00 0.00 0.00 178.15 178.53 3iiv h LEU 94 N -0.06 0.40 -1.78 1.44 3.38 -1.17 0.16 115.31 117.67 3iiv h LEU 94 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iiv h LEU 94 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3iiv h LEU 94 CO 0.00 0.27 0.00 0.03 0.09 0.00 0.00 178.44 178.83 3iiv h ARG 95 N 0.46 0.00 0.00 1.13 2.47 -1.00 -3.46 114.38 113.98 3iiv h ARG 95 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3iiv h ARG 95 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3iiv h ARG 95 CO -0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.89 3iiv n GLY 96 N -0.60 0.78 3.74 0.04 0.00 0.55 -3.80 105.19 105.91 3iiv n GLY 96 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iiv n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiv s ALA 97 N -1.34 3.80 0.16 4.61 0.00 -1.07 -4.76 121.76 123.16 3iiv s ALA 97 Ca 0.00 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 3iiv s ALA 97 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3iiv s ALA 97 CO 0.00 -0.97 1.39 -0.44 0.00 0.00 0.00 175.76 175.74 3iiv h ASP 98 N 5.40 0.48 -4.87 0.00 3.32 -1.58 -3.41 116.42 115.76 3iiv h ASP 98 Ca -0.46 -0.34 -0.17 0.00 0.02 0.00 0.00 57.03 56.08 3iiv h ASP 98 Cb 1.21 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.40 3iiv h ASP 98 CO 0.84 1.11 -0.64 -0.54 -1.72 0.00 0.00 179.24 178.28 3iiv s LYS 99 N -3.48 0.33 0.01 3.56 1.02 -0.77 -4.47 119.74 115.94 3iiv s LYS 99 Ca -0.06 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.47 3iiv s LYS 99 Cb 0.10 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 3iiv s LYS 99 CO 0.85 -0.06 -0.07 0.14 -0.92 0.00 0.00 175.35 175.28 3iiv s VAL 100 N -1.31 3.61 -0.15 3.17 -7.23 0.15 -0.99 120.40 117.65 3iiv s VAL 100 Ca -0.14 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3iiv s VAL 100 Cb -0.09 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3iiv s VAL 100 CO -0.00 0.37 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.35 3iiv s GLU 101 N -1.49 3.42 0.06 4.82 2.12 -0.01 -0.52 118.70 127.10 3iiv s GLU 101 Ca 0.17 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3iiv s GLU 101 Cb -0.11 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 3iiv s GLU 101 CO 0.08 0.13 -0.13 0.96 -0.54 0.00 0.00 175.26 175.76 3iiv s ILE 102 N 0.58 1.02 0.00 -3.70 -4.36 -0.41 -4.40 121.20 109.93 3iiv s ILE 102 Ca -0.06 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3iiv s ILE 102 Cb -0.15 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.59 3iiv s ILE 102 CO 0.03 -0.17 0.00 -3.20 0.24 0.00 0.00 174.94 171.84 3iiv n ASN 103 N 1.54 0.00 -0.11 4.36 2.85 -1.26 -1.06 115.26 121.58 3iiv n ASN 103 Ca -0.20 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.16 3iiv n ASN 103 Cb 0.54 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.54 3iiv n ASN 103 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3iiv h THR 104 N 0.00 1.24 -0.56 -0.44 2.02 -1.92 -3.07 112.91 110.18 3iiv h THR 104 Ca 0.00 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3iiv h THR 104 Cb 0.00 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3iiv h THR 104 CO 0.00 0.28 0.37 0.00 0.37 0.00 0.00 175.52 176.53 3iiv h ALA 105 N 0.88 1.60 -0.23 6.16 0.00 -1.90 -0.36 119.26 125.41 3iiv h ALA 105 Ca 0.10 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3iiv h ALA 105 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iiv h ALA 105 CO 0.01 0.37 -0.61 0.00 0.00 0.00 0.00 179.25 179.02 3iiv h ALA 106 N 1.65 0.39 -0.37 0.00 0.00 -1.80 -1.22 119.26 117.90 3iiv h ALA 106 Ca 0.20 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3iiv h ALA 106 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iiv h ALA 106 CO -0.04 0.65 0.15 0.28 0.00 0.00 0.00 179.25 180.29 3iiv h VAL 107 N 0.59 1.19 0.00 0.00 2.07 -1.36 -0.28 116.25 118.45 3iiv h VAL 107 Ca -0.01 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3iiv h VAL 107 Cb 1.23 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3iiv h VAL 107 CO 0.13 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 177.60 3iiv h GLU 108 N 0.46 0.00 -0.80 1.57 5.08 -1.00 -3.39 114.58 116.50 3iiv h GLU 108 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3iiv h GLU 108 Cb 0.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.27 3iiv h GLU 108 CO -0.01 0.00 -0.39 1.21 -1.00 0.00 0.00 179.01 178.81 3iiv s ASN 109 N -4.47 -1.18 0.45 1.42 2.47 -0.47 -5.05 114.94 108.11 3iiv s ASN 109 Ca 0.06 -1.25 0.12 0.00 0.42 0.00 0.00 52.86 52.21 3iiv s ASN 109 Cb 0.10 1.53 1.04 0.00 -1.45 0.00 0.00 41.25 42.48 3iiv s ASN 109 CO 0.48 -0.06 2.05 1.55 -3.72 0.00 0.00 177.10 177.40 3iiv h PRO 110 N 5.13 0.34 0.00 0.43 0.13 -1.25 -0.15 132.00 136.63 3iiv h PRO 110 Ca 0.04 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3iiv h PRO 110 Cb 1.14 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3iiv h PRO 110 CO -0.01 0.23 -0.00 0.66 -0.23 0.00 0.00 178.00 178.65 3iiv h SER 111 N 0.35 0.00 -0.82 1.44 4.64 -1.96 -1.03 113.55 116.18 3iiv h SER 111 Ca 0.17 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3iiv h SER 111 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3iiv h SER 111 CO -0.04 0.00 0.54 0.25 -0.87 0.00 0.00 176.83 176.72 3iiv h LEU 112 N 0.00 0.95 -0.31 5.97 5.85 -1.37 -0.90 115.31 125.51 3iiv h LEU 112 Ca -0.00 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3iiv h LEU 112 Cb 0.03 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3iiv h LEU 112 CO 0.00 0.69 -0.19 0.40 -0.34 0.00 0.00 178.44 179.00 3iiv h ILE 113 N 1.12 0.46 -0.40 4.05 2.04 -1.33 -2.25 117.51 121.20 3iiv h ILE 113 Ca 0.30 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 3iiv h ILE 113 Cb -0.12 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3iiv h ILE 113 CO -0.06 0.00 0.17 0.74 0.00 0.00 0.00 178.15 178.99 3iiv h THR 114 N -0.16 1.19 -0.54 -0.27 2.02 -1.21 -2.14 112.91 111.80 3iiv h THR 114 Ca 0.16 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3iiv h THR 114 Cb 0.40 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3iiv h THR 114 CO -0.40 0.21 0.30 1.56 0.37 0.00 0.00 175.52 177.56 3iiv h GLN 115 N 0.50 0.57 -0.34 6.66 4.20 -1.05 0.55 115.11 126.20 3iiv h GLN 115 Ca 0.13 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3iiv h GLN 115 Cb 0.17 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3iiv h GLN 115 CO -0.01 0.38 -0.18 0.82 -0.67 0.00 0.00 178.83 179.17 3iiv h ILE 116 N 0.59 1.29 -0.40 2.54 2.04 -1.33 -2.99 117.51 119.24 3iiv h ILE 116 Ca 0.23 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 3iiv h ILE 116 Cb 0.10 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3iiv h ILE 116 CO -0.14 0.42 0.04 0.00 0.00 0.00 0.00 178.15 178.48 3iiv h ALA 117 N 0.78 1.32 -0.01 1.87 0.00 -1.10 -0.59 119.26 121.53 3iiv h ALA 117 Ca 0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3iiv h ALA 117 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3iiv h ALA 117 CO 0.05 0.47 -0.47 1.96 0.00 0.00 0.00 179.25 181.27 3iiv h GLN 118 N 0.60 0.03 0.14 0.00 4.20 -0.79 0.18 115.11 119.47 3iiv h GLN 118 Ca 0.13 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.52 3iiv h GLN 118 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3iiv h GLN 118 CO 0.01 0.49 -1.59 1.15 -0.67 0.00 0.00 178.83 178.21 3iiv h THR 119 N 0.02 0.95 -0.00 -0.54 2.02 -1.37 -3.42 112.91 110.57 3iiv h THR 119 Ca -0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 3iiv h THR 119 Cb 0.83 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3iiv h THR 119 CO 0.06 0.77 -0.22 0.49 0.37 0.00 0.00 175.52 176.99 3iiv n PHE 120 N -3.78 0.00 0.00 3.16 3.72 -0.25 -5.11 117.46 115.21 3iiv n PHE 120 Ca -0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3iiv n PHE 120 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3iiv n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iiv n GLY 121 N 0.93 0.91 0.35 1.37 0.00 0.65 -4.46 105.19 104.95 3iiv n GLY 121 Ca 0.02 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.54 3iiv n GLY 121 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iiv h SER 122 N 0.00 0.44 0.14 1.61 4.64 -1.79 -1.57 113.55 117.03 3iiv h SER 122 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3iiv h SER 122 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3iiv h SER 122 CO 0.00 0.27 0.00 0.06 -0.87 0.00 0.00 176.83 176.29 3iiv h GLN 123 N 0.50 0.00 -0.00 4.77 -0.00 -1.87 -0.63 115.11 117.87 3iiv h GLN 123 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 3iiv h GLN 123 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 3iiv h GLN 123 CO -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 178.83 178.58 3iiv n ALA 124 N -1.92 2.83 -3.49 0.06 0.00 -0.59 -4.81 120.51 112.59 3iiv n ALA 124 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3iiv n ALA 124 Cb 0.08 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 3iiv n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iiv s VAL 125 N -2.64 3.37 -0.18 0.00 1.01 -0.31 -0.67 120.40 120.98 3iiv s VAL 125 Ca 0.24 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3iiv s VAL 125 Cb 0.19 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 3iiv s VAL 125 CO 0.52 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 175.16 3iiv s VAL 126 N 1.46 2.93 -0.28 2.92 1.01 0.33 -0.74 120.40 128.02 3iiv s VAL 126 Ca 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3iiv s VAL 126 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3iiv s VAL 126 CO -0.03 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 174.99 3iiv s VAL 127 N 1.05 4.51 -0.17 2.92 1.01 -0.80 -1.29 120.40 127.63 3iiv s VAL 127 Ca -0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 3iiv s VAL 127 Cb -0.15 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3iiv s VAL 127 CO -0.02 0.20 0.83 -0.47 0.00 0.00 0.00 175.10 175.63 3iiv s TYR 128 N 1.62 3.42 -0.29 5.22 5.04 -0.22 -1.24 117.35 130.90 3iiv s TYR 128 Ca 0.05 1.25 -0.05 0.00 -2.44 0.00 0.00 57.07 55.89 3iiv s TYR 128 Cb -0.16 -3.01 0.03 0.00 0.35 0.00 0.00 41.96 39.17 3iiv s TYR 128 CO 0.05 -0.24 0.04 0.42 -1.34 0.00 0.00 175.55 174.48 3iiv s ILE 129 N 2.15 3.49 -0.26 3.14 1.01 0.11 -4.41 121.20 126.42 3iiv s ILE 129 Ca 0.38 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 3iiv s ILE 129 Cb -0.17 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3iiv s ILE 129 CO 0.12 0.03 0.45 0.00 0.00 0.00 0.00 174.94 175.54 3iiv s ALA 130 N 1.39 3.58 0.09 9.38 0.00 -1.26 -0.42 121.76 134.52 3iiv s ALA 130 Ca -0.00 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.32 3iiv s ALA 130 Cb -0.18 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3iiv s ALA 130 CO 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 175.76 174.96 3iiv s ALA 131 N 2.13 1.24 -0.06 0.00 0.00 -0.09 -0.78 121.76 124.19 3iiv s ALA 131 Ca 0.18 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3iiv s ALA 131 Cb -0.16 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3iiv s ALA 131 CO 0.09 0.08 0.22 0.21 0.00 0.00 0.00 175.76 176.36 3iiv s LYS 132 N -2.33 0.34 0.09 0.00 2.20 -0.42 -1.35 119.74 118.26 3iiv s LYS 132 Ca 0.03 0.15 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 3iiv s LYS 132 Cb -0.06 0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 3iiv s LYS 132 CO 0.02 -0.06 1.44 1.03 -0.36 0.00 0.00 175.35 177.42 3iiv s ARG 133 N -0.26 4.29 -0.13 4.03 0.52 -1.26 -0.79 118.95 125.35 3iiv s ARG 133 Ca -0.04 2.11 -0.03 0.00 -0.52 0.00 0.00 55.73 57.25 3iiv s ARG 133 Cb -0.03 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 32.15 3iiv s ARG 133 CO 0.01 -0.51 0.06 0.08 0.02 0.00 0.00 175.30 174.96 3iiv s VAL 134 N 1.52 0.09 -1.47 3.52 1.01 -0.18 -4.87 120.40 120.01 3iiv s VAL 134 Ca 0.66 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 3iiv s VAL 134 Cb -0.37 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3iiv s VAL 134 CO 0.30 -0.08 0.51 0.47 0.00 0.00 0.00 175.10 176.30 3iiv n ASP 135 N 5.22 -1.07 -0.47 3.32 8.00 -1.26 -2.06 116.55 128.23 3iiv n ASP 135 Ca -0.06 -1.00 -0.06 0.00 0.71 0.00 0.00 54.79 54.37 3iiv n ASP 135 Cb 0.49 -3.02 -0.03 0.00 -0.02 0.00 0.00 41.12 38.54 3iiv n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iiv n GLY 136 N -1.87 0.86 3.03 0.44 0.00 -1.26 -5.03 105.19 101.36 3iiv n GLY 136 Ca -0.22 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 3iiv n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iiv s GLU 137 N -2.47 0.64 -0.20 1.61 2.02 -0.88 -5.11 118.70 114.32 3iiv s GLU 137 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3iiv s GLU 137 Cb 0.00 -0.59 -0.00 0.00 0.10 0.00 0.00 34.13 33.64 3iiv s GLU 137 CO 0.00 0.15 1.17 -0.06 0.02 0.00 0.00 175.26 176.54 3iiv s PHE 138 N -0.50 3.06 0.06 1.61 0.08 -1.26 -1.02 117.98 120.00 3iiv s PHE 138 Ca 0.00 1.20 0.07 0.00 0.12 0.00 0.00 56.93 58.32 3iiv s PHE 138 Cb -0.05 -3.41 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 3iiv s PHE 138 CO 0.00 -1.18 -0.15 -1.64 -0.10 0.00 0.00 175.22 172.15 3iiv s MET 139 N 3.38 2.10 -0.07 0.44 -1.94 0.03 -0.65 119.30 122.60 3iiv s MET 139 Ca 0.50 -0.98 -0.28 0.00 -1.71 0.00 0.00 55.69 53.22 3iiv s MET 139 Cb -0.19 -2.24 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 3iiv s MET 139 CO 0.11 0.53 0.93 0.08 -0.01 0.00 0.00 175.02 176.66 3iiv s VAL 140 N -1.01 4.87 -0.00 -6.03 1.01 -0.24 -1.31 120.40 117.69 3iiv s VAL 140 Ca 0.16 1.90 0.05 0.00 0.00 0.00 0.00 61.98 64.10 3iiv s VAL 140 Cb -0.11 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 3iiv s VAL 140 CO 0.08 0.10 -0.14 -0.36 0.00 0.00 0.00 175.10 174.78 3iiv s PHE 141 N 1.49 2.69 0.46 5.22 0.40 0.04 -1.57 117.98 126.71 3iiv s PHE 141 Ca 0.47 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 3iiv s PHE 141 Cb -0.19 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.79 3iiv s PHE 141 CO 0.21 0.25 0.08 0.25 0.70 0.00 0.00 175.22 176.71 3iiv n THR 142 N 1.83 0.00 -3.55 0.64 -2.24 0.03 -4.38 114.28 106.60 3iiv n THR 142 Ca -0.16 -2.11 -0.24 0.00 -2.27 0.00 0.00 64.05 59.26 3iiv n THR 142 Cb 0.52 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3iiv n THR 142 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iiv n TYR 143 N -1.25 -2.14 -3.53 4.78 4.01 -1.26 -0.77 117.16 117.00 3iiv n TYR 143 Ca -0.15 0.64 -0.20 0.00 -0.16 0.00 0.00 57.90 58.02 3iiv n TYR 143 Cb 0.57 -3.54 0.08 0.00 -0.31 0.00 0.00 39.34 36.15 3iiv n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3iiv n SER 144 N -2.60 -3.75 -0.41 7.72 7.64 -1.26 -2.33 113.62 118.63 3iiv n SER 144 Ca -0.10 -0.61 -0.05 0.00 1.01 0.00 0.00 58.87 59.12 3iiv n SER 144 Cb 0.59 -4.98 -0.02 0.00 -1.01 0.00 0.00 64.21 58.79 3iiv n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iiv n GLY 145 N -1.52 0.74 0.01 0.23 0.00 -1.21 -4.90 105.19 98.55 3iiv n GLY 145 Ca -0.16 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.65 3iiv n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iiv n THR 146 N -2.62 0.04 -3.88 2.61 -2.24 -0.85 -4.86 114.28 102.48 3iiv n THR 146 Ca -0.05 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.87 3iiv n THR 146 Cb 0.29 -0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 3iiv n THR 146 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3iiv s LYS 147 N -3.45 2.79 -0.33 -0.78 2.20 0.05 -4.95 119.74 115.27 3iiv s LYS 147 Ca -0.08 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 3iiv s LYS 147 Cb 0.13 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 3iiv s LYS 147 CO 0.89 -0.48 1.58 1.21 -0.36 0.00 0.00 175.35 178.19 3iiv s ASN 148 N 1.36 6.23 0.36 1.43 3.84 -1.26 -0.79 114.94 126.10 3iiv s ASN 148 Ca -0.01 1.22 0.26 0.00 0.21 0.00 0.00 52.86 54.54 3iiv s ASN 148 Cb -0.18 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.74 3iiv s ASN 148 CO -0.01 -1.45 1.74 0.71 -2.79 0.00 0.00 177.10 175.30 3iiv h THR 149 N 6.46 0.00 0.00 -5.21 1.35 -1.66 -3.47 112.91 110.37 3iiv h THR 149 Ca -0.31 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3iiv h THR 149 Cb 1.14 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3iiv h THR 149 CO 1.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 3iiv n GLY 150 N 0.85 1.44 3.71 5.82 0.00 -1.26 -5.02 105.19 110.73 3iiv n GLY 150 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3iiv n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iiv s ILE 151 N -3.74 5.10 0.31 -0.61 1.01 -1.26 -4.98 121.20 117.02 3iiv s ILE 151 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 3iiv s ILE 151 Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 3iiv s ILE 151 CO 0.00 0.25 1.22 -0.76 0.00 0.00 0.00 174.94 175.66 3iiv s LEU 152 N 0.93 4.48 0.25 2.97 1.43 -1.26 -1.08 118.68 126.40 3iiv s LEU 152 Ca 0.31 2.51 -0.03 0.00 -1.03 0.00 0.00 54.13 55.89 3iiv s LEU 152 Cb -0.16 -3.64 0.47 0.00 0.03 0.00 0.00 46.19 42.89 3iiv s LEU 152 CO 0.14 -0.37 1.76 0.25 0.23 0.00 0.00 176.35 178.35 3iiv h LEU 153 N 3.61 0.45 -0.80 1.79 5.85 -1.19 -1.51 115.31 123.51 3iiv h LEU 153 Ca -0.48 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3iiv h LEU 153 Cb 1.22 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3iiv h LEU 153 CO 0.66 0.20 0.51 0.08 -0.34 0.00 0.00 178.44 179.55 3iiv h ARG 154 N 0.57 1.06 -0.25 1.25 0.11 -1.93 -1.67 114.38 113.53 3iiv h ARG 154 Ca 0.43 -0.08 -0.14 0.00 0.10 0.00 0.00 59.98 60.29 3iiv h ARG 154 Cb 0.58 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 3iiv h ARG 154 CO -0.35 0.72 -0.43 -0.44 0.10 0.00 0.00 179.97 179.56 3iiv h ASP 155 N 1.08 0.67 0.18 0.08 3.32 -1.80 -3.09 116.42 116.86 3iiv h ASP 155 Ca 0.29 -0.31 -0.26 0.00 0.02 0.00 0.00 57.03 56.77 3iiv h ASP 155 Cb -0.09 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.28 3iiv h ASP 155 CO -0.06 1.01 -1.05 -0.25 -1.72 0.00 0.00 179.24 177.17 3iiv h TRP 156 N 0.50 0.85 -0.29 4.55 -0.00 -0.95 -2.27 115.95 118.34 3iiv h TRP 156 Ca 0.04 -0.48 0.06 0.00 -0.00 0.00 0.00 58.89 58.51 3iiv h TRP 156 Cb 0.96 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.16 29.97 3iiv h TRP 156 CO 0.04 1.32 -0.13 0.28 -0.00 0.00 0.00 178.44 179.95 3iiv h VAL 157 N 0.30 0.58 -0.41 2.65 2.07 -1.35 -0.52 116.25 119.57 3iiv h VAL 157 Ca -0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3iiv h VAL 157 Cb 1.71 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3iiv h VAL 157 CO 0.20 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.56 3iiv h VAL 158 N -0.09 1.18 -0.68 2.57 2.07 -1.50 -1.98 116.25 117.81 3iiv h VAL 158 Ca 0.15 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3iiv h VAL 158 Cb 0.32 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3iiv h VAL 158 CO -0.35 0.19 0.34 -0.08 0.02 0.00 0.00 177.57 177.69 3iiv h GLU 159 N 0.52 0.98 -0.74 1.57 4.81 -1.16 -1.87 114.58 118.69 3iiv h GLU 159 Ca 0.14 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3iiv h GLU 159 Cb 0.13 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3iiv h GLU 159 CO -0.02 0.77 0.36 0.28 -0.73 0.00 0.00 179.01 179.67 3iiv h VAL 160 N 0.95 1.24 -0.19 0.32 2.07 -0.79 0.19 116.25 120.03 3iiv h VAL 160 Ca 0.24 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3iiv h VAL 160 Cb 0.10 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3iiv h VAL 160 CO -0.03 0.28 0.05 -0.08 0.02 0.00 0.00 177.57 177.80 3iiv h GLU 161 N 1.03 0.30 -0.89 1.57 4.81 -1.16 -2.40 114.58 117.84 3iiv h GLU 161 Ca 0.25 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 3iiv h GLU 161 Cb 0.10 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.36 3iiv h GLU 161 CO -0.03 0.43 0.51 0.87 -0.73 0.00 0.00 179.01 180.05 3iiv h LYS 162 N 0.12 0.76 0.00 1.92 1.57 -0.82 -1.96 116.57 118.16 3iiv h LYS 162 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3iiv h LYS 162 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3iiv h LYS 162 CO -0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 179.45 179.37 3iiv h ARG 163 N 0.78 0.00 0.00 3.15 2.47 -0.55 -3.47 114.38 116.77 3iiv h ARG 163 Ca 0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 3iiv h ARG 163 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3iiv h ARG 163 CO -0.30 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.65 3iiv n GLY 164 N 0.03 1.69 3.73 0.04 0.00 -0.74 -2.92 105.19 107.02 3iiv n GLY 164 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3iiv n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiv s ALA 165 N -2.00 2.35 -0.11 4.61 0.00 -0.92 -4.49 121.76 121.19 3iiv s ALA 165 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 3iiv s ALA 165 Cb 0.00 -3.55 -0.25 0.00 0.00 0.00 0.00 23.12 19.31 3iiv s ALA 165 CO 0.00 -1.64 0.40 0.41 0.00 0.00 0.00 175.76 174.93 3iiv n GLY 166 N 0.88 -0.63 3.31 0.00 0.00 0.08 -4.83 105.19 104.00 3iiv n GLY 166 Ca 0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3iiv n GLY 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iiv s GLU 167 N -2.56 1.06 -0.13 1.61 -1.05 -1.08 -4.26 118.70 112.28 3iiv s GLU 167 Ca -0.20 -0.73 0.02 0.00 -0.15 0.00 0.00 54.97 53.92 3iiv s GLU 167 Cb 0.07 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3iiv s GLU 167 CO 0.78 -0.41 -0.21 0.42 0.95 0.00 0.00 175.26 176.79 3iiv s ILE 168 N -3.81 2.26 -0.23 1.83 1.01 -0.55 -1.91 121.20 119.81 3iiv s ILE 168 Ca 0.03 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3iiv s ILE 168 Cb 0.02 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3iiv s ILE 168 CO -0.12 0.55 0.52 -0.69 0.00 0.00 0.00 174.94 175.20 3iiv s VAL 169 N 0.58 5.09 -0.45 2.92 1.01 -0.37 -0.29 120.40 128.89 3iiv s VAL 169 Ca -0.12 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 3iiv s VAL 169 Cb -0.16 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.46 3iiv s VAL 169 CO 0.03 0.14 0.34 -0.22 0.00 0.00 0.00 175.10 175.39 3iiv s LEU 170 N 1.92 5.47 -0.31 3.92 2.96 0.13 0.04 118.68 132.81 3iiv s LEU 170 Ca 0.23 -1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 52.54 3iiv s LEU 170 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3iiv s LEU 170 CO 0.09 -0.62 0.20 -0.83 -1.32 0.00 0.00 176.35 173.87 3iiv s GLY 171 N 2.47 1.93 -0.52 7.98 0.00 0.44 -1.78 107.32 117.83 3iiv s GLY 171 Ca 0.04 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.26 3iiv s GLY 171 CO 0.04 0.70 0.88 -0.45 0.00 0.00 0.00 173.10 174.27 3iiv s SER 172 N 1.72 6.36 0.45 1.64 0.15 -1.02 -0.92 113.70 122.08 3iiv s SER 172 Ca 0.06 -0.31 0.11 0.00 0.70 0.00 0.00 55.95 56.51 3iiv s SER 172 Cb -0.17 -2.41 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 3iiv s SER 172 CO 0.10 -1.12 2.08 0.40 1.20 0.00 0.00 173.24 175.90 3iiv h ILE 173 N 6.00 1.07 0.00 6.45 2.04 -1.57 -0.29 117.51 131.22 3iiv h ILE 173 Ca -0.26 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3iiv h ILE 173 Cb 1.08 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3iiv h ILE 173 CO 1.04 0.08 0.07 0.47 0.00 0.00 0.00 178.15 179.81 3iiv n ASP 174 N -4.48 0.24 -0.06 1.72 8.00 -1.26 -2.80 116.55 117.91 3iiv n ASP 174 Ca 0.00 0.57 0.01 0.00 0.71 0.00 0.00 54.79 56.09 3iiv n ASP 174 Cb 0.09 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3iiv n ASP 174 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iiv n ARG 175 N -1.81 2.49 -1.70 -1.24 5.12 -0.13 -4.98 116.66 114.42 3iiv n ARG 175 Ca -0.01 -0.36 -0.43 0.00 -1.93 0.00 0.00 57.85 55.12 3iiv n ARG 175 Cb 0.08 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 3iiv n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3iiv n LEU 176 N -0.40 3.99 0.00 0.55 7.94 -1.12 -1.58 117.00 126.38 3iiv n LEU 176 Ca 0.01 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 3iiv n LEU 176 Cb 0.06 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.46 3iiv n LEU 176 CO 0.03 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 3iiv n GLY 177 N 4.13 2.69 3.91 -3.96 0.00 -1.26 -4.99 105.19 105.71 3iiv n GLY 177 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3iiv n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iiv s THR 178 N -2.13 2.67 -0.01 2.61 -4.23 -0.61 -4.99 115.64 108.95 3iiv s THR 178 Ca 0.00 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 3iiv s THR 178 Cb 0.00 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.80 3iiv s THR 178 CO 0.00 -0.21 1.06 0.29 -0.54 0.00 0.00 174.62 175.22 3iiv n LYS 179 N -3.01 0.11 0.00 3.99 5.02 -1.25 -4.15 118.16 118.87 3iiv n LYS 179 Ca 0.07 -1.40 0.13 0.00 -2.02 0.00 0.00 58.31 55.09 3iiv n LYS 179 Cb 0.59 -0.45 0.41 0.00 -0.02 0.00 0.00 35.03 35.56 3iiv n LYS 179 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3iiv n SER 180 N 0.03 0.87 0.00 4.39 3.41 -1.12 -3.94 113.62 117.25 3iiv n SER 180 Ca 0.03 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3iiv n SER 180 Cb 0.81 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3iiv n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iiv n GLY 181 N 1.35 3.39 3.72 5.00 0.00 0.10 -4.99 105.19 113.77 3iiv n GLY 181 Ca 0.12 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 3iiv n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iiv s TYR 182 N -2.63 2.09 -1.23 1.61 2.02 -1.26 -4.31 117.35 113.64 3iiv s TYR 182 Ca 0.00 1.63 -0.19 0.00 -0.37 0.00 0.00 57.07 58.14 3iiv s TYR 182 Cb 0.00 -3.35 0.07 0.00 -0.40 0.00 0.00 41.96 38.27 3iiv s TYR 182 CO 0.00 -2.44 1.66 0.34 -1.57 0.00 0.00 175.55 173.54 3iiv s ASP 183 N -2.41 6.76 0.30 2.29 -1.08 -1.26 -4.78 116.67 116.48 3iiv s ASP 183 Ca 0.70 -2.21 0.10 0.00 -0.52 0.00 0.00 52.55 50.62 3iiv s ASP 183 Cb -0.25 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.08 3iiv s ASP 183 CO 0.49 -1.25 1.67 0.71 0.52 0.00 0.00 175.17 177.31 3iiv h THR 184 N 5.86 1.39 -0.37 1.71 1.35 -1.94 -1.08 112.91 119.83 3iiv h THR 184 Ca 0.39 -1.87 0.03 0.00 -0.55 0.00 0.00 66.41 64.41 3iiv h THR 184 Cb 0.90 2.00 -0.04 0.00 -1.73 0.00 0.00 68.15 69.29 3iiv h THR 184 CO 1.45 0.54 0.16 -0.08 -0.25 0.00 0.00 175.52 177.34 3iiv h GLU 185 N 0.02 0.33 -0.61 4.72 4.81 -1.98 0.87 114.58 122.73 3iiv h GLU 185 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3iiv h GLU 185 Cb 0.97 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3iiv h GLU 185 CO 0.07 0.22 0.30 1.98 -0.73 0.00 0.00 179.01 180.84 3iiv h MET 186 N 0.33 0.88 -0.61 1.92 4.05 -1.78 -0.41 114.93 119.32 3iiv h MET 186 Ca 0.16 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 3iiv h MET 186 Cb 0.10 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3iiv h MET 186 CO -0.14 0.71 0.25 0.82 0.23 0.00 0.00 176.91 178.78 3iiv h ILE 187 N 0.84 1.23 -0.21 1.77 2.04 -0.90 -1.45 117.51 120.83 3iiv h ILE 187 Ca 0.21 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 3iiv h ILE 187 Cb 0.12 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iiv h ILE 187 CO -0.03 0.27 -0.33 0.03 0.00 0.00 0.00 178.15 178.10 3iiv h ARG 188 N 0.85 0.43 -0.58 2.37 3.08 -0.61 0.02 114.38 119.93 3iiv h ARG 188 Ca 0.20 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3iiv h ARG 188 Cb 0.19 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3iiv h ARG 188 CO -0.02 0.71 0.36 0.35 -1.07 0.00 0.00 179.97 180.30 3iiv h PHE 189 N 0.37 0.67 0.04 3.04 3.57 -0.56 -3.24 116.94 120.83 3iiv h PHE 189 Ca 0.04 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.32 3iiv h PHE 189 Cb 0.76 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3iiv h PHE 189 CO 0.02 0.39 -1.19 0.28 -2.23 0.00 0.00 178.31 175.59 3iiv h VAL 190 N 0.72 1.51 -0.66 1.41 2.07 -0.93 -3.39 116.25 116.98 3iiv h VAL 190 Ca 0.23 -3.20 0.13 0.00 0.82 0.00 0.00 66.70 64.67 3iiv h VAL 190 Cb -0.00 2.81 -0.13 0.00 -1.52 0.00 0.00 31.29 32.45 3iiv h VAL 190 CO -0.09 0.89 -0.24 -0.09 0.02 0.00 0.00 177.57 178.06 3iiv h ARG 191 N 0.02 -0.06 0.00 1.57 9.65 -1.02 -0.71 114.38 123.83 3iiv h ARG 191 Ca -0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3iiv h ARG 191 Cb 1.87 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.46 3iiv h ARG 191 CO 0.14 -0.04 0.00 -0.35 2.80 0.00 0.00 179.97 182.52 3iiv n PRO 192 N -5.46 0.45 0.02 0.20 -0.04 -1.26 -3.36 135.00 125.56 3iiv n PRO 192 Ca 0.07 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 3iiv n PRO 192 Cb 0.36 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 3iiv n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iiv n LEU 193 N -1.25 0.47 -3.81 1.53 4.77 -0.27 -4.93 117.00 113.50 3iiv n LEU 193 Ca 0.14 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3iiv n LEU 193 Cb 0.20 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 3iiv n LEU 193 CO 0.20 0.03 -0.08 0.28 -1.33 0.00 0.00 177.39 176.49 3iiv s THR 194 N -3.05 0.06 -1.51 -5.08 -1.32 -1.21 -4.65 115.64 98.87 3iiv s THR 194 Ca 0.10 -0.50 0.25 0.00 -1.21 0.00 0.00 61.69 60.34 3iiv s THR 194 Cb 0.16 -0.49 0.14 0.00 -1.51 0.00 0.00 72.50 70.80 3iiv s THR 194 CO 0.66 -0.28 1.45 0.35 -2.21 0.00 0.00 174.62 174.59 3iiv n THR 195 N 1.60 0.00 -2.26 5.08 -2.24 -1.26 -4.92 114.28 110.28 3iiv n THR 195 Ca -0.21 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 3iiv n THR 195 Cb 0.56 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 3iiv n THR 195 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iiv s LEU 196 N -2.68 3.64 0.31 3.22 1.43 -1.26 -4.98 118.68 118.36 3iiv s LEU 196 Ca 0.19 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 54.83 3iiv s LEU 196 Cb 0.18 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.74 3iiv s LEU 196 CO 0.60 -0.96 1.39 -2.65 0.23 0.00 0.00 176.35 174.95 3iiv n PRO 197 N -1.59 2.23 -4.24 1.29 -0.02 -1.26 -4.85 135.00 126.55 3iiv n PRO 197 Ca 0.09 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3iiv n PRO 197 Cb 0.53 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3iiv n PRO 197 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iiv s ILE 198 N -0.63 3.43 -0.29 4.25 1.01 -1.26 -1.49 121.20 126.22 3iiv s ILE 198 Ca 0.60 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.67 3iiv s ILE 198 Cb -0.57 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 3iiv s ILE 198 CO 0.57 0.46 0.12 -0.63 0.00 0.00 0.00 174.94 175.46 3iiv s ILE 199 N 0.93 4.45 0.25 2.92 1.09 0.61 -0.31 121.20 131.15 3iiv s ILE 199 Ca -0.01 -0.37 -0.30 0.00 -1.10 0.00 0.00 60.65 58.88 3iiv s ILE 199 Cb -0.15 -3.21 -0.09 0.00 -1.06 0.00 0.00 42.46 37.95 3iiv s ILE 199 CO 0.01 0.15 1.12 0.00 -0.10 0.00 0.00 174.94 176.12 3iiv s ALA 200 N 1.60 3.41 -0.04 9.38 0.00 -0.30 0.20 121.76 136.01 3iiv s ALA 200 Ca 0.05 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 3iiv s ALA 200 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3iiv s ALA 200 CO 0.05 -0.21 0.14 -1.58 0.00 0.00 0.00 175.76 174.16 3iiv s HIS 201 N -0.86 -0.11 0.00 0.00 5.04 -0.73 -0.36 115.29 118.27 3iiv s HIS 201 Ca 0.47 0.26 0.00 0.00 -1.54 0.00 0.00 55.06 54.25 3iiv s HIS 201 Cb -0.32 0.03 0.00 0.00 0.04 0.00 0.00 32.58 32.33 3iiv s HIS 201 CO 0.40 -0.12 0.00 0.54 -2.34 0.00 0.00 174.74 173.21 3iiv n ARG 202 N 2.64 0.00 0.00 2.88 5.12 -1.26 -2.42 116.66 123.62 3iiv n ARG 202 Ca -0.15 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3iiv n ARG 202 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 3iiv n ARG 202 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iiv n GLY 203 N 0.86 1.31 3.70 -0.13 0.00 -1.22 -4.21 105.19 105.50 3iiv n GLY 203 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iiv n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiv s ALA 204 N -2.08 3.73 0.00 4.61 0.00 -1.26 0.01 121.76 126.77 3iiv s ALA 204 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3iiv s ALA 204 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3iiv s ALA 204 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3iiv n GLY 205 N 3.94 0.00 3.49 0.00 0.00 -1.25 -4.71 105.19 106.65 3iiv n GLY 205 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3iiv n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iiv s LYS 206 N -0.82 1.34 0.24 1.61 -2.85 -1.26 -4.90 119.74 113.10 3iiv s LYS 206 Ca 0.00 -0.94 -0.07 0.00 -1.00 0.00 0.00 55.97 53.97 3iiv s LYS 206 Cb 0.00 0.49 0.23 0.00 -2.06 0.00 0.00 37.83 36.49 3iiv s LYS 206 CO 0.00 -0.55 1.88 1.79 0.10 0.00 0.00 175.35 178.57 3iiv h THR 207 N 2.27 1.26 0.00 3.79 1.35 -2.00 -1.44 112.91 118.14 3iiv h THR 207 Ca -0.29 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3iiv h THR 207 Cb 1.25 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3iiv h THR 207 CO 0.39 0.27 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.60 3iiv h GLU 208 N 1.30 0.00 -0.55 4.72 3.07 -2.00 -1.61 114.58 119.51 3iiv h GLU 208 Ca 0.34 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.25 3iiv h GLU 208 Cb -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 3iiv h GLU 208 CO -0.06 0.01 0.37 0.45 -1.40 0.00 0.00 179.01 178.38 3iiv h HIS 209 N 0.00 0.53 -0.32 4.33 3.86 -1.68 -1.90 115.15 119.96 3iiv h HIS 209 Ca -0.00 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3iiv h HIS 209 Cb 0.03 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3iiv h HIS 209 CO 0.00 0.29 -0.05 0.74 0.86 0.00 0.00 177.93 179.77 3iiv h PHE 210 N 0.53 0.67 -0.37 2.45 0.04 -1.43 -1.87 116.94 116.97 3iiv h PHE 210 Ca 0.24 -0.14 0.06 0.00 2.80 0.00 0.00 57.97 60.93 3iiv h PHE 210 Cb 0.26 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 3iiv h PHE 210 CO -0.00 0.76 0.07 1.25 -0.60 0.00 0.00 178.31 179.79 3iiv h LEU 211 N 0.39 0.01 -0.66 1.54 5.85 -1.52 -2.08 115.31 118.83 3iiv h LEU 211 Ca 0.09 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3iiv h LEU 211 Cb 0.53 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3iiv h LEU 211 CO 0.03 0.04 0.40 -0.33 -0.34 0.00 0.00 178.44 178.24 3iiv h GLU 212 N 0.19 0.76 -0.82 1.25 5.08 -1.22 -1.06 114.58 118.76 3iiv h GLU 212 Ca 0.18 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3iiv h GLU 212 Cb 0.20 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3iiv h GLU 212 CO -0.23 0.51 0.54 0.00 -1.00 0.00 0.00 179.01 178.82 3iiv h ALA 213 N 1.29 1.07 -0.53 3.43 0.00 -0.97 -1.46 119.26 122.10 3iiv h ALA 213 Ca 0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3iiv h ALA 213 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3iiv h ALA 213 CO -0.12 0.39 -0.09 0.74 0.00 0.00 0.00 179.25 180.18 3iiv h PHE 214 N 1.06 1.10 -0.16 0.00 0.04 -0.92 -2.20 116.94 115.87 3iiv h PHE 214 Ca 0.32 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3iiv h PHE 214 Cb -0.04 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 3iiv h PHE 214 CO -0.02 1.03 0.03 -0.07 -0.60 0.00 0.00 178.31 178.68 3iiv h LEU 215 N 0.86 0.19 0.00 1.54 3.38 -0.98 -1.90 115.31 118.40 3iiv h LEU 215 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iiv h LEU 215 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3iiv h LEU 215 CO 0.04 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3iiv n ALA 216 N -2.51 2.18 0.00 1.53 0.00 -0.57 -4.91 120.51 116.24 3iiv n ALA 216 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3iiv n ALA 216 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3iiv n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iiv n GLY 217 N 1.02 1.12 3.76 0.00 0.00 -0.71 -3.95 105.19 106.42 3iiv n GLY 217 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3iiv n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiv s ALA 218 N -2.00 3.08 -0.16 4.61 0.00 -0.86 -4.78 121.76 121.65 3iiv s ALA 218 Ca 0.00 1.34 0.22 0.00 0.00 0.00 0.00 51.96 53.52 3iiv s ALA 218 Cb 0.00 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 3iiv s ALA 218 CO 0.00 -1.14 0.80 -0.25 0.00 0.00 0.00 175.76 175.17 3iiv n ASP 219 N -0.44 0.48 -3.73 0.00 8.00 0.58 -4.56 116.55 116.87 3iiv n ASP 219 Ca 0.07 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.62 3iiv n ASP 219 Cb 0.44 1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.60 3iiv n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iiv s ALA 220 N -3.42 -0.73 -0.09 2.24 0.00 -0.98 -1.77 121.76 117.01 3iiv s ALA 220 Ca -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3iiv s ALA 220 Cb 0.12 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3iiv s ALA 220 CO 0.84 -0.47 -0.14 0.00 0.00 0.00 0.00 175.76 176.00 3iiv s ALA 221 N -2.90 1.49 -0.10 0.00 0.00 0.09 -1.15 121.76 119.18 3iiv s ALA 221 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 3iiv s ALA 221 Cb 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3iiv s ALA 221 CO -0.06 -0.00 -0.03 0.21 0.00 0.00 0.00 175.76 175.89 3iiv s LYS 222 N 0.87 3.14 0.25 0.00 2.20 0.51 -0.86 119.74 125.85 3iiv s LYS 222 Ca -0.10 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 3iiv s LYS 222 Cb -0.15 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3iiv s LYS 222 CO 0.01 0.55 0.32 0.00 -0.36 0.00 0.00 175.35 175.87 3iiv s ALA 223 N -0.47 0.64 0.00 3.13 0.00 -0.85 -4.38 121.76 119.82 3iiv s ALA 223 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3iiv s ALA 223 Cb -0.12 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.24 3iiv s ALA 223 CO 0.02 -0.72 0.00 -0.40 0.00 0.00 0.00 175.76 174.66 3iiv n ASP 224 N -0.58 0.00 -0.28 0.00 5.75 -1.26 -1.10 116.55 119.07 3iiv n ASP 224 Ca 0.01 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.97 3iiv n ASP 224 Cb 0.64 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 41.20 3iiv n ASP 224 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3iiv h SER 225 N 0.00 0.50 0.53 -1.12 4.64 -1.98 0.04 113.55 116.15 3iiv h SER 225 Ca 0.00 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3iiv h SER 225 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3iiv h SER 225 CO 0.00 0.18 -0.30 1.62 -0.87 0.00 0.00 176.83 177.46 3iiv h VAL 226 N 0.48 0.94 0.00 0.95 3.04 -1.92 -0.51 116.25 119.23 3iiv h VAL 226 Ca 0.51 -1.15 -0.06 0.00 -1.01 0.00 0.00 66.70 64.99 3iiv h VAL 226 Cb 1.17 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 3iiv h VAL 226 CO -0.24 0.30 -0.35 -0.26 -1.01 0.00 0.00 177.57 176.01 3iiv h PHE 227 N 0.00 0.00 -0.80 3.17 0.04 -1.33 -1.18 116.94 116.84 3iiv h PHE 227 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3iiv h PHE 227 Cb 0.65 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 3iiv h PHE 227 CO 0.00 1.05 0.53 0.45 -0.60 0.00 0.00 178.31 179.73 3iiv h HIS 228 N -1.00 0.95 0.00 -0.55 3.86 -0.95 -0.24 115.15 117.22 3iiv h HIS 228 Ca -0.09 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3iiv h HIS 228 Cb 1.01 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3iiv h HIS 228 CO 0.20 0.55 0.00 0.66 0.86 0.00 0.00 177.93 180.20 3iiv h SER 229 N 0.98 0.00 -0.56 2.45 4.64 -1.28 0.91 113.55 120.70 3iiv h SER 229 Ca 0.32 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.41 3iiv h SER 229 Cb 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.04 3iiv h SER 229 CO -0.09 0.00 -0.21 0.54 -0.87 0.00 0.00 176.83 176.20 3iiv n ARG 230 N -2.41 -0.79 -0.30 4.77 1.74 -0.10 -4.76 116.66 114.81 3iiv n ARG 230 Ca 0.04 0.89 -0.03 0.00 -0.77 0.00 0.00 57.85 57.98 3iiv n ARG 230 Cb 0.35 -4.87 0.13 0.00 -1.02 0.00 0.00 32.46 27.04 3iiv n ARG 230 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3iiv h GLU 231 N 0.00 1.19 -5.30 5.56 5.08 -1.68 -3.39 114.58 116.04 3iiv h GLU 231 Ca -0.23 -0.13 -0.68 0.00 -1.00 0.00 0.00 59.36 57.32 3iiv h GLU 231 Cb 0.74 -0.24 -0.33 0.00 0.50 0.00 0.00 28.75 29.42 3iiv h GLU 231 CO 0.34 0.86 -0.87 0.42 -1.00 0.00 0.00 179.01 178.75 3iiv s ILE 232 N -5.82 2.08 -0.03 3.13 1.01 -0.49 -5.01 121.20 116.06 3iiv s ILE 232 Ca -0.12 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.30 3iiv s ILE 232 Cb 0.17 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3iiv s ILE 232 CO 0.82 0.56 0.67 -0.62 0.00 0.00 0.00 174.94 176.37 3iiv s ASP 233 N 0.48 7.01 0.13 3.58 2.15 -1.26 -4.47 116.67 124.29 3iiv s ASP 233 Ca -0.15 1.21 -0.17 0.00 0.43 0.00 0.00 52.55 53.87 3iiv s ASP 233 Cb -0.17 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 3iiv s ASP 233 CO 0.06 -0.03 1.72 0.58 -0.17 0.00 0.00 175.17 177.33 3iiv h VAL 234 N 4.48 1.16 -0.34 1.11 2.07 -1.95 0.43 116.25 123.20 3iiv h VAL 234 Ca -0.43 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3iiv h VAL 234 Cb 1.20 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3iiv h VAL 234 CO 0.73 0.16 0.13 -0.09 0.02 0.00 0.00 177.57 178.52 3iiv h ARG 235 N 0.44 0.52 -0.77 1.57 2.43 -1.94 -0.57 114.38 116.05 3iiv h ARG 235 Ca 0.12 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3iiv h ARG 235 Cb 0.10 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3iiv h ARG 235 CO -0.02 0.52 0.47 0.93 -1.51 0.00 0.00 179.97 180.36 3iiv h GLU 236 N 0.41 0.85 0.01 0.20 5.08 -1.90 -0.25 114.58 118.97 3iiv h GLU 236 Ca 0.11 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3iiv h GLU 236 Cb 0.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iiv h GLU 236 CO -0.01 0.56 -0.03 1.25 -1.00 0.00 0.00 179.01 179.78 3iiv h LEU 237 N 0.87 -0.09 -0.67 1.33 5.85 -0.65 -0.40 115.31 121.55 3iiv h LEU 237 Ca 0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3iiv h LEU 237 Cb 0.14 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3iiv h LEU 237 CO -0.16 -0.05 0.44 0.11 -0.34 0.00 0.00 178.44 178.44 3iiv h LYS 238 N -0.06 0.89 -0.59 1.25 1.57 -0.65 -0.26 116.57 118.72 3iiv h LYS 238 Ca 0.01 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3iiv h LYS 238 Cb 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3iiv h LYS 238 CO -0.03 0.60 0.39 0.93 -0.57 0.00 0.00 179.45 180.77 3iiv h GLU 239 N 0.92 0.76 -0.22 3.15 5.08 -0.93 -0.35 114.58 122.98 3iiv h GLU 239 Ca 0.25 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3iiv h GLU 239 Cb -0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3iiv h GLU 239 CO -0.05 0.51 0.11 -0.92 -1.00 0.00 0.00 179.01 177.66 3iiv h TYR 240 N 0.79 0.21 -0.46 4.33 3.20 -0.76 -0.51 116.97 123.76 3iiv h TYR 240 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3iiv h TYR 240 Cb -0.07 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3iiv h TYR 240 CO -0.04 0.12 0.07 -0.07 -1.64 0.00 0.00 178.16 176.60 3iiv h LEU 241 N 0.24 0.74 -0.49 2.82 3.38 -0.67 -2.25 115.31 119.07 3iiv h LEU 241 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3iiv h LEU 241 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3iiv h LEU 241 CO -0.06 0.82 0.22 0.50 0.09 0.00 0.00 178.44 180.01 3iiv h LYS 242 N 0.63 0.42 -1.01 1.13 1.63 -0.97 -1.13 116.57 117.27 3iiv h LYS 242 Ca 0.14 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.00 3iiv h LYS 242 Cb 0.40 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 3iiv h LYS 242 CO 0.01 0.27 0.64 -0.22 -3.45 0.00 0.00 179.45 176.71 3iiv h LYS 243 N 0.43 1.07 -0.63 1.90 3.64 -0.55 -2.23 116.57 120.19 3iiv h LYS 243 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3iiv h LYS 243 Cb 0.18 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3iiv h LYS 243 CO -0.19 0.71 0.00 0.72 -2.27 0.00 0.00 179.45 178.42 3iiv n HIS 244 N -4.55 1.75 -0.13 1.91 8.25 -0.90 -4.91 115.22 116.65 3iiv n HIS 244 Ca 0.17 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3iiv n HIS 244 Cb 0.25 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3iiv n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iiv n GLY 245 N 0.67 0.77 3.76 -1.41 0.00 -0.84 -5.06 105.19 103.08 3iiv n GLY 245 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3iiv n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iiv s VAL 246 N -2.11 4.18 -0.70 1.61 1.01 -0.46 -4.99 120.40 118.94 3iiv s VAL 246 Ca 0.00 1.97 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 3iiv s VAL 246 Cb 0.00 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.15 3iiv s VAL 246 CO 0.00 0.50 1.16 0.21 0.00 0.00 0.00 175.10 176.97 3iiv s ASN 247 N -1.12 6.18 0.15 3.32 2.47 -1.26 -4.12 114.94 120.56 3iiv s ASN 247 Ca 0.40 -0.62 0.09 0.00 0.42 0.00 0.00 52.86 53.15 3iiv s ASN 247 Cb -0.25 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.00 3iiv s ASN 247 CO 0.30 -1.67 -0.19 0.68 -3.72 0.00 0.00 177.10 172.50 3iiv s VAL 248 N 5.08 1.83 -0.16 -5.21 -7.23 -1.26 -0.04 120.40 113.41 3iiv s VAL 248 Ca 0.31 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 58.37 3iiv s VAL 248 Cb -0.11 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 3iiv s VAL 248 CO 0.14 -0.23 0.93 -0.13 -0.31 0.00 0.00 175.10 175.50 3iiv s ARG 249 N -2.55 4.33 0.00 4.82 3.00 -1.26 -4.94 118.95 122.35 3iiv s ARG 249 Ca 0.14 1.21 0.18 0.00 0.00 0.00 0.00 55.73 57.26 3iiv s ARG 249 Cb -0.07 -3.58 0.06 0.00 0.00 0.00 0.00 34.95 31.37 3iiv s ARG 249 CO 0.06 -0.38 0.99 1.28 0.00 0.00 0.00 175.30 177.25 3iiv n LEU 250 N 5.37 2.10 0.13 2.53 4.77 -1.26 -4.63 117.00 126.02 3iiv n LEU 250 Ca 0.07 -0.87 0.07 0.00 -0.03 0.00 0.00 56.01 55.25 3iiv n LEU 250 Cb 0.48 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.12 3iiv n LEU 250 CO 0.50 0.38 1.12 -0.33 -1.33 0.00 0.00 177.39 177.73 3iiv h GLU 251 N 2.73 0.24 0.00 3.23 3.07 -1.98 -2.13 114.58 119.75 3iiv h GLU 251 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3iiv h GLU 251 Cb 0.68 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3iiv h GLU 251 CO 0.00 0.16 -0.20 0.78 -1.40 0.00 0.00 179.01 178.35 3iiv h GLY 252 N 0.25 0.00 -3.51 -3.84 0.00 -1.92 -3.46 103.07 90.60 3iiv h GLY 252 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.87 3iiv h GLY 252 CO -0.02 0.00 0.66 1.08 0.00 0.00 0.00 176.54 178.27 3iiv s LEU 253 N -4.94 4.21 -0.04 3.11 1.43 -0.80 -3.31 118.68 118.32 3iiv s LEU 253 Ca 0.08 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 3iiv s LEU 253 Cb 0.11 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3iiv s LEU 253 CO 0.65 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3iiv n GLY 254 N 0.62 0.35 0.33 -3.19 0.00 -1.26 -4.88 105.19 97.17 3iiv n GLY 254 Ca 0.04 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.17 3iiv n GLY 254 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3iiv h SER 255 N 0.00 0.00 0.87 1.61 0.02 -1.54 0.10 113.55 114.61 3iiv h SER 255 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3iiv h SER 255 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3iiv h SER 255 CO 0.01 0.00 -0.42 0.18 -1.14 0.00 0.00 176.83 175.47 3iiv n LEU 256 N -4.27 0.56 -4.79 5.07 4.77 -1.25 -4.90 117.00 112.18 3iiv n LEU 256 Ca 0.04 0.25 -0.37 0.00 -0.03 0.00 0.00 56.01 55.89 3iiv n LEU 256 Cb 0.37 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3iiv n LEU 256 CO 0.33 -0.01 0.04 -1.61 -1.33 0.00 0.00 177.39 174.82 3iiv s GLU 257 N -3.09 4.04 0.43 3.23 2.02 0.02 -5.08 118.70 120.28 3iiv s GLU 257 Ca 0.09 0.25 0.06 0.00 0.02 0.00 0.00 54.97 55.40 3iiv s GLU 257 Cb 0.15 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.01 3iiv s GLU 257 CO 0.67 0.47 0.11 -3.38 0.02 0.00 0.00 175.26 173.15 3iiv s HIS 258 N -0.29 2.43 -2.20 1.61 -3.43 -1.26 -5.04 115.29 107.11 3iiv s HIS 258 Ca 0.21 -0.67 0.21 0.00 -0.80 0.00 0.00 55.06 54.00 3iiv s HIS 258 Cb -0.15 -1.85 0.54 0.00 -1.43 0.00 0.00 32.58 29.69 3iiv s HIS 258 CO 0.09 0.25 1.46 -2.39 -2.00 0.00 0.00 174.74 172.14 3iiv n HIS 259 N -1.18 0.66 -2.54 0.38 1.44 -1.26 -4.89 115.22 107.85 3iiv n HIS 259 Ca -0.05 -0.33 -0.24 0.00 -2.01 0.00 0.00 57.72 55.09 3iiv n HIS 259 Cb 0.66 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.88 3iiv n HIS 259 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3iiv s HIS 260 N -1.34 1.60 -0.29 -1.40 3.76 -1.26 -5.09 115.29 111.28 3iiv s HIS 260 Ca 0.40 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 55.08 3iiv s HIS 260 Cb 0.22 -3.07 0.09 0.00 1.11 0.00 0.00 32.58 30.93 3iiv s HIS 260 CO 0.30 -1.77 0.07 -1.01 -0.85 0.00 0.00 174.74 171.48 3iiv s HIS 261 N -3.19 1.77 -0.20 1.40 0.09 -1.26 -5.08 115.29 108.82 3iiv s HIS 261 Ca 0.67 -1.67 -0.27 0.00 -0.00 0.00 0.00 55.06 53.79 3iiv s HIS 261 Cb -0.05 -1.66 -0.00 0.00 -0.00 0.00 0.00 32.58 30.87 3iiv s HIS 261 CO 0.45 -0.83 0.93 -1.58 -0.00 0.00 0.00 174.74 173.71 3iiv s HIS 262 N 1.60 3.38 -2.36 1.40 5.04 -1.26 -5.26 115.29 117.83 3iiv s HIS 262 Ca 0.07 1.36 0.29 0.00 -1.54 0.00 0.00 55.06 55.24 3iiv s HIS 262 Cb -0.17 -3.14 1.30 0.00 0.04 0.00 0.00 32.58 30.60 3iiv s HIS 262 CO -0.20 -0.35 1.88 -2.39 -2.34 0.00 0.00 174.74 171.34