#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iiv n LYS 4 N 0.00 2.53 -3.93 0.00 4.76 0.15 -4.97 118.16 116.70 3iiv n LYS 4 Ca 0.00 0.89 -0.37 0.00 -2.87 0.00 0.00 58.31 55.97 3iiv n LYS 4 Cb 0.00 -2.61 -0.07 0.00 -1.84 0.00 0.00 35.03 30.51 3iiv n LYS 4 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3iiv s ARG 5 N -1.26 3.45 -0.32 1.97 3.52 -0.67 -4.42 118.95 121.22 3iiv s ARG 5 Ca 0.59 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.96 3iiv s ARG 5 Cb -0.52 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3iiv s ARG 5 CO 0.56 0.73 0.09 0.42 -0.81 0.00 0.00 175.30 176.28 3iiv s ILE 6 N -0.89 3.82 -0.08 4.11 -1.09 -1.26 -1.04 121.20 124.77 3iiv s ILE 6 Ca 0.14 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.61 3iiv s ILE 6 Cb -0.12 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 3iiv s ILE 6 CO 0.03 -0.05 -0.04 -1.81 -1.23 0.00 0.00 174.94 171.84 3iiv s ASP 7 N 1.44 4.87 -0.09 3.58 1.11 -0.26 -0.56 116.67 126.75 3iiv s ASP 7 Ca 0.00 0.03 -0.03 0.00 0.18 0.00 0.00 52.55 52.73 3iiv s ASP 7 Cb -0.18 -1.33 -0.03 0.00 1.07 0.00 0.00 42.92 42.44 3iiv s ASP 7 CO 0.02 0.35 0.04 0.00 1.18 0.00 0.00 175.17 176.76 3iiv s ALA 8 N -0.73 3.44 0.04 5.23 0.00 -0.89 -1.92 121.76 126.93 3iiv s ALA 8 Ca 0.11 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.38 3iiv s ALA 8 Cb -0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3iiv s ALA 8 CO 0.02 0.60 -0.20 0.00 0.00 0.00 0.00 175.76 176.18 3iiv s ALA 9 N -0.93 2.52 -0.16 0.00 0.00 0.04 -0.89 121.76 122.34 3iiv s ALA 9 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3iiv s ALA 9 Cb -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.35 3iiv s ALA 9 CO 0.03 0.56 -0.11 -0.51 0.00 0.00 0.00 175.76 175.73 3iiv s LEU 10 N -1.34 1.76 -0.11 0.00 1.02 0.50 -4.43 118.68 116.08 3iiv s LEU 10 Ca 0.14 -0.59 -0.23 0.00 0.02 0.00 0.00 54.13 53.47 3iiv s LEU 10 Cb -0.10 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 3iiv s LEU 10 CO 0.04 -0.10 0.71 -0.63 0.02 0.00 0.00 176.35 176.39 3iiv s ILE 11 N 1.51 5.01 0.03 -0.59 1.01 -1.26 -0.77 121.20 126.14 3iiv s ILE 11 Ca 0.03 1.43 0.08 0.00 0.00 0.00 0.00 60.65 62.19 3iiv s ILE 11 Cb -0.14 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3iiv s ILE 11 CO -0.09 0.19 -0.24 -0.76 0.00 0.00 0.00 174.94 174.03 3iiv s LEU 12 N 1.23 2.13 -0.01 2.97 1.43 0.32 -0.28 118.68 126.46 3iiv s LEU 12 Ca 0.36 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3iiv s LEU 12 Cb -0.17 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3iiv s LEU 12 CO 0.16 0.24 0.02 -0.75 0.23 0.00 0.00 176.35 176.25 3iiv s LYS 13 N -1.02 -0.03 -1.66 1.70 2.20 -0.13 0.22 119.74 121.02 3iiv s LYS 13 Ca 0.10 0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.71 3iiv s LYS 13 Cb -0.09 -0.18 0.12 0.00 -1.51 0.00 0.00 37.83 36.17 3iiv s LYS 13 CO 0.01 -0.12 0.60 -0.25 -0.36 0.00 0.00 175.35 175.23 3iiv n ASP 14 N 3.87 -2.01 0.00 1.43 8.00 -1.26 -0.22 116.55 126.37 3iiv n ASP 14 Ca -0.23 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3iiv n ASP 14 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 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 -1.60 1.91 3.70 0.44 0.00 -1.26 -5.02 105.19 103.36 3iiv n GLY 15 Ca -0.04 0.00 -0.29 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 -0.03 2.59 -0.26 1.61 1.81 0.70 -4.51 118.95 120.86 3iiv s ARG 16 Ca 0.00 -0.87 -0.29 0.00 -1.72 0.00 0.00 55.73 52.85 3iiv s ARG 16 Cb 0.00 -2.54 -0.02 0.00 -0.45 0.00 0.00 34.95 31.95 3iiv s ARG 16 CO 0.00 0.52 1.51 0.08 -0.68 0.00 0.00 175.30 176.73 3iiv s VAL 17 N -1.42 3.84 -0.00 3.52 1.01 -0.26 -0.96 120.40 126.13 3iiv s VAL 17 Ca 0.27 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 3iiv s VAL 17 Cb -0.11 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3iiv s VAL 17 CO 0.19 -0.38 1.73 -0.69 0.00 0.00 0.00 175.10 175.95 3iiv s VAL 18 N 5.00 3.33 0.00 2.92 1.01 0.61 -1.36 120.40 131.91 3iiv s VAL 18 Ca 0.66 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3iiv s VAL 18 Cb -0.22 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3iiv s VAL 18 CO 0.27 -0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.63 3iiv n LYS 19 N 6.87 0.00 0.00 2.72 5.02 -1.26 -4.86 118.16 126.64 3iiv n LYS 19 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3iiv n LYS 19 Cb 0.42 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 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 1.72 3.42 0.72 0.00 -0.46 -4.94 105.19 103.65 3iiv n GLY 20 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.33 1.61 1.04 -0.97 -4.90 113.70 106.15 3iiv s SER 21 Ca 0.00 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 55.50 3iiv s SER 21 Cb 0.00 0.49 0.72 0.00 0.10 0.00 0.00 66.02 67.34 3iiv s SER 21 CO 0.00 -1.00 1.80 0.59 0.98 0.00 0.00 173.24 175.61 3iiv n ASN 22 N -0.31 4.58 -4.45 7.02 3.02 0.23 -4.85 115.26 120.49 3iiv n ASN 22 Ca -0.02 -3.29 -0.43 0.00 -0.03 0.00 0.00 54.58 50.80 3iiv n ASN 22 Cb 0.63 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 39.01 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 -3.04 2.84 0.23 3.10 0.40 -1.26 -4.91 117.98 115.33 3iiv s PHE 23 Ca 0.55 -0.52 0.15 0.00 -0.60 0.00 0.00 56.93 56.51 3iiv s PHE 23 Cb 0.44 -4.04 0.54 0.00 0.51 0.00 0.00 43.02 40.47 3iiv s PHE 23 CO 0.12 -1.39 1.69 0.93 0.70 0.00 0.00 175.22 177.27 3iiv h GLU 24 N 9.32 0.00 -0.01 0.44 5.08 -2.00 -2.96 114.58 124.44 3iiv h GLU 24 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3iiv h GLU 24 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3iiv h GLU 24 CO 1.10 0.48 0.13 -2.95 -1.00 0.00 0.00 179.01 176.78 3iiv h ASN 25 N 0.00 0.00 -3.52 1.42 -1.07 -2.03 -3.44 115.58 106.95 3iiv h ASN 25 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 3iiv h ASN 25 Cb 0.97 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.19 3iiv h ASN 25 CO 0.06 0.00 0.23 -0.76 0.07 0.00 0.00 177.43 177.03 3iiv s LEU 26 N -6.18 4.52 0.29 6.14 1.43 -1.12 -4.97 118.68 118.79 3iiv s LEU 26 Ca -0.04 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 3iiv s LEU 26 Cb 0.12 -3.37 0.51 0.00 0.03 0.00 0.00 46.19 43.48 3iiv s LEU 26 CO 0.38 0.07 1.89 -0.09 0.23 0.00 0.00 176.35 178.82 3iiv h ARG 27 N 5.11 1.03 -2.46 1.70 1.12 -1.90 -3.36 114.38 115.62 3iiv h ARG 27 Ca -0.45 -0.06 -0.42 0.00 -1.11 0.00 0.00 59.98 57.94 3iiv h ARG 27 Cb 1.21 -0.23 -0.36 0.00 -0.01 0.00 0.00 29.97 30.57 3iiv h ARG 27 CO 0.69 0.68 -0.70 0.34 -3.11 0.00 0.00 179.97 177.87 3iiv s ASP 28 N -5.91 2.50 0.00 -3.80 -1.08 -1.26 -5.03 116.67 102.09 3iiv s ASP 28 Ca -0.12 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.03 3iiv s ASP 28 Cb 0.20 0.11 0.36 0.00 -1.46 0.00 0.00 42.92 42.13 3iiv s ASP 28 CO 0.81 -0.41 1.26 -1.20 0.52 0.00 0.00 175.17 176.15 3iiv n SER 29 N 5.28 0.00 -0.58 -0.34 7.64 -1.26 -1.35 113.62 123.02 3iiv n SER 29 Ca -0.04 0.49 0.05 0.00 1.01 0.00 0.00 58.87 60.38 3iiv n SER 29 Cb 0.45 -0.49 0.15 0.00 -1.01 0.00 0.00 64.21 63.30 3iiv n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iiv n GLY 30 N -0.64 3.08 3.62 0.23 0.00 -1.26 -2.28 105.19 107.94 3iiv n GLY 30 Ca 0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.22 6.81 0.35 1.61 2.15 -0.45 -1.10 116.67 124.82 3iiv s ASP 31 Ca 0.23 0.85 0.05 0.00 0.43 0.00 0.00 52.55 54.11 3iiv s ASP 31 Cb 0.15 -2.50 0.65 0.00 -0.30 0.00 0.00 42.92 40.91 3iiv s ASP 31 CO 0.12 -0.85 1.89 1.55 -0.17 0.00 0.00 175.17 177.71 3iiv h PRO 32 N 8.24 0.47 -0.17 4.34 0.13 -1.88 -1.63 132.00 141.51 3iiv h PRO 32 Ca -0.22 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 3iiv h PRO 32 Cb 1.07 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3iiv h PRO 32 CO 1.00 0.51 -0.13 0.28 -0.23 0.00 0.00 178.00 179.43 3iiv h VAL 33 N 0.46 1.33 -0.32 1.56 2.07 -1.93 0.30 116.25 119.72 3iiv h VAL 33 Ca 0.10 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 3iiv h VAL 33 Cb 0.32 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3iiv h VAL 33 CO 0.01 0.37 0.06 -0.08 0.02 0.00 0.00 177.57 177.95 3iiv h GLU 34 N 0.05 0.53 -0.35 1.57 4.81 -1.86 -1.08 114.58 118.26 3iiv h GLU 34 Ca 0.03 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3iiv h GLU 34 Cb 0.65 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3iiv h GLU 34 CO 0.03 0.61 0.22 1.25 -0.73 0.00 0.00 179.01 180.40 3iiv h LEU 35 N 0.36 0.38 -0.78 1.64 5.85 -1.31 -1.09 115.31 120.35 3iiv h LEU 35 Ca 0.10 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3iiv h LEU 35 Cb 0.34 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3iiv h LEU 35 CO 0.01 0.27 0.47 1.23 -0.34 0.00 0.00 178.44 180.08 3iiv h GLY 36 N 0.45 1.16 0.90 3.75 0.00 -0.85 -1.42 103.07 107.07 3iiv h GLY 36 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3iiv h GLY 36 CO -0.04 0.22 0.10 0.50 0.00 0.00 0.00 176.54 177.32 3iiv h LYS 37 N 0.85 0.37 -0.55 4.80 1.57 -0.81 -1.80 116.57 121.01 3iiv h LYS 37 Ca 0.34 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 3iiv h LYS 37 Cb 0.18 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3iiv h LYS 37 CO -0.18 0.42 0.19 0.35 -0.57 0.00 0.00 179.45 179.66 3iiv h PHE 38 N 0.25 0.33 -0.76 -1.35 3.57 -1.02 -1.46 116.94 116.50 3iiv h PHE 38 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3iiv h PHE 38 Cb 0.19 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3iiv h PHE 38 CO -0.01 0.09 0.43 1.88 -2.23 0.00 0.00 178.31 178.47 3iiv h TYR 39 N 0.37 1.03 -0.50 0.41 0.05 -1.01 -1.98 116.97 115.34 3iiv h TYR 39 Ca 0.27 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 3iiv h TYR 39 Cb 0.32 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3iiv h TYR 39 CO -0.17 0.72 0.27 0.66 -1.05 0.00 0.00 178.16 178.59 3iiv h SER 40 N 1.05 0.61 0.62 3.88 4.64 -0.78 -0.62 113.55 122.95 3iiv h SER 40 Ca 0.27 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.39 3iiv h SER 40 Cb 0.02 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3iiv h SER 40 CO -0.04 0.49 -0.73 -0.33 -0.87 0.00 0.00 176.83 175.35 3iiv h GLU 41 N 0.69 0.08 0.00 4.77 5.08 -0.75 -3.22 114.58 121.23 3iiv h GLU 41 Ca 0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3iiv h GLU 41 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3iiv h GLU 41 CO -0.03 0.77 -0.64 0.44 -1.00 0.00 0.00 179.01 178.55 3iiv n ILE 42 N -3.72 0.13 0.00 3.13 -5.35 -0.79 -4.95 119.36 107.81 3iiv n ILE 42 Ca -0.02 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3iiv n ILE 42 Cb 0.70 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 1.43 1.32 3.76 3.28 0.00 -0.94 -4.37 105.19 109.68 3iiv n GLY 43 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.57 2.28 -0.10 -0.61 -1.09 -0.28 -4.95 121.20 114.87 3iiv s ILE 44 Ca 0.00 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.52 3iiv s ILE 44 Cb 0.00 -3.12 -0.27 0.00 -1.58 0.00 0.00 42.46 37.49 3iiv s ILE 44 CO 0.00 0.01 0.49 0.44 -1.23 0.00 0.00 174.94 174.66 3iiv h ASP 45 N 1.92 0.42 -5.15 3.58 3.32 -1.16 -3.43 116.42 115.91 3iiv h ASP 45 Ca -0.51 -0.88 -0.09 0.00 0.02 0.00 0.00 57.03 55.57 3iiv h ASP 45 Cb 1.28 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 3iiv h ASP 45 CO 0.59 1.73 -0.42 -1.61 -1.72 0.00 0.00 179.24 177.81 3iiv s GLU 46 N -2.52 0.79 0.10 3.56 2.02 -1.23 -4.26 118.70 117.16 3iiv s GLU 46 Ca -0.20 -0.95 0.10 0.00 0.02 0.00 0.00 54.97 53.94 3iiv s GLU 46 Cb 0.05 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 3iiv s GLU 46 CO 0.77 -0.24 -0.26 -0.51 0.02 0.00 0.00 175.26 175.05 3iiv s LEU 47 N -2.76 2.27 -0.09 1.80 1.43 -0.62 -2.09 118.68 118.63 3iiv s LEU 47 Ca 0.04 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 3iiv s LEU 47 Cb 0.04 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3iiv s LEU 47 CO -0.10 0.18 -0.22 -0.44 0.23 0.00 0.00 176.35 176.00 3iiv s SER 48 N -1.80 3.26 -0.29 2.29 0.01 -0.07 -0.93 113.70 116.17 3iiv s SER 48 Ca 0.12 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 3iiv s SER 48 Cb -0.10 -1.28 0.04 0.00 0.21 0.00 0.00 66.02 64.89 3iiv s SER 48 CO 0.05 0.19 0.00 -0.36 0.41 0.00 0.00 173.24 173.53 3iiv s PHE 49 N 0.18 3.18 -0.33 2.43 0.08 0.07 -0.37 117.98 123.21 3iiv s PHE 49 Ca -0.13 -1.59 -0.06 0.00 0.12 0.00 0.00 56.93 55.27 3iiv s PHE 49 Cb -0.16 -2.13 0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3iiv s PHE 49 CO 0.07 -0.74 0.10 -1.58 -0.10 0.00 0.00 175.22 172.97 3iiv s TRP 50 N 1.33 3.25 -0.14 0.36 0.51 0.05 -1.27 118.94 123.03 3iiv s TRP 50 Ca -0.02 -1.41 -0.21 0.00 -2.12 0.00 0.00 56.10 52.34 3iiv s TRP 50 Cb -0.18 -2.27 -0.03 0.00 -0.81 0.00 0.00 33.47 30.17 3iiv s TRP 50 CO -0.01 -0.72 0.59 0.34 -0.51 0.00 0.00 176.95 176.64 3iiv s ASP 51 N 1.40 6.76 0.00 2.95 2.15 0.07 -0.52 116.67 129.48 3iiv s ASP 51 Ca -0.02 0.92 0.09 0.00 0.43 0.00 0.00 52.55 53.97 3iiv s ASP 51 Cb -0.19 -2.34 0.23 0.00 -0.30 0.00 0.00 42.92 40.32 3iiv s ASP 51 CO 0.03 -0.13 1.16 2.30 -0.17 0.00 0.00 175.17 178.35 3iiv n ILE 52 N 4.09 0.88 -1.68 4.11 -5.35 0.13 -4.43 119.36 117.11 3iiv n ILE 52 Ca -0.03 -0.94 -0.40 0.00 -0.27 0.00 0.00 62.75 61.10 3iiv n ILE 52 Cb 0.51 0.58 0.02 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.36 2.79 -3.37 7.28 -1.04 -1.24 -4.95 114.28 114.12 3iiv n THR 53 Ca 0.09 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 3iiv n THR 53 Cb 0.38 -1.47 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 3iiv n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iiv s ALA 54 N -1.25 -0.85 0.07 2.41 0.00 -1.26 -4.93 121.76 115.95 3iiv s ALA 54 Ca 0.64 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3iiv s ALA 54 Cb -0.50 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 20.85 3iiv s ALA 54 CO 0.56 -1.51 0.00 -1.13 0.00 0.00 0.00 175.76 173.68 3iiv n SER 55 N 5.34 0.11 -0.49 0.00 3.41 -1.26 -4.97 113.62 115.76 3iiv n SER 55 Ca -0.02 0.11 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 3iiv n SER 55 Cb 0.49 0.04 0.19 0.00 -0.26 0.00 0.00 64.21 64.66 3iiv n SER 55 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3iiv n VAL 56 N -2.82 2.05 1.22 -3.33 0.24 -1.26 -5.00 118.33 109.44 3iiv n VAL 56 Ca 0.00 -2.91 0.11 0.00 -2.04 0.00 0.00 64.34 59.50 3iiv n VAL 56 Cb 0.00 -0.20 0.39 0.00 -1.47 0.00 0.00 33.84 32.55 3iiv n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3iiv n GLU 57 N -1.15 1.77 -0.03 7.34 1.02 -1.26 -4.55 120.64 123.78 3iiv n GLU 57 Ca 0.18 -1.15 -0.11 0.00 -0.02 0.00 0.00 57.16 56.06 3iiv n GLU 57 Cb 0.69 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 3iiv n GLU 57 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3iiv h LYS 58 N 2.38 -0.42 -0.03 3.49 3.64 -1.94 0.78 116.57 124.46 3iiv h LYS 58 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3iiv h LYS 58 Cb 0.52 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3iiv h LYS 58 CO 0.00 -0.28 -0.05 -0.09 -2.27 0.00 0.00 179.45 176.75 3iiv h ARG 59 N -0.44 -0.07 -0.59 1.90 2.43 -1.98 -1.73 114.38 113.90 3iiv h ARG 59 Ca 0.09 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3iiv h ARG 59 Cb 0.61 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3iiv h ARG 59 CO -0.43 -0.05 0.03 -0.22 -1.51 0.00 0.00 179.97 177.79 3iiv h LYS 60 N -0.08 1.01 0.01 0.20 3.64 -1.82 -1.96 116.57 117.57 3iiv h LYS 60 Ca 0.03 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3iiv h LYS 60 Cb 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3iiv h LYS 60 CO -0.08 0.97 -0.00 1.15 -2.27 0.00 0.00 179.45 179.21 3iiv h THR 61 N 0.93 0.99 -0.59 1.00 2.02 -0.52 -1.67 112.91 115.07 3iiv h THR 61 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3iiv h THR 61 Cb 0.50 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3iiv h THR 61 CO 0.02 0.00 0.39 0.24 0.37 0.00 0.00 175.52 176.54 3iiv h MET 62 N -0.02 0.79 -0.82 6.66 2.86 -1.17 -0.05 114.93 123.18 3iiv h MET 62 Ca -0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3iiv h MET 62 Cb 0.01 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3iiv h MET 62 CO 0.00 0.53 0.40 -0.07 1.06 0.00 0.00 176.91 178.83 3iiv h LEU 63 N 0.80 1.06 -0.38 1.22 3.38 -1.18 0.61 115.31 120.82 3iiv h LEU 63 Ca 0.22 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3iiv h LEU 63 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3iiv h LEU 63 CO -0.05 0.89 -0.18 -0.33 0.09 0.00 0.00 178.44 178.86 3iiv h GLU 64 N 1.16 0.80 0.16 1.13 5.08 -0.94 -1.42 114.58 120.56 3iiv h GLU 64 Ca 0.28 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3iiv h GLU 64 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3iiv h GLU 64 CO -0.04 0.97 -0.16 1.25 -1.00 0.00 0.00 179.01 180.04 3iiv h LEU 65 N 0.60 -0.41 -1.36 1.33 5.85 -0.73 -2.04 115.31 118.55 3iiv h LEU 65 Ca 0.09 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3iiv h LEU 65 Cb 0.73 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3iiv h LEU 65 CO 0.06 -0.24 0.04 -0.37 -0.34 0.00 0.00 178.44 177.59 3iiv h VAL 66 N -0.34 1.17 -0.31 1.05 -1.51 -0.85 0.15 116.25 115.60 3iiv h VAL 66 Ca 0.00 -0.63 0.06 0.00 -1.23 0.00 0.00 66.70 64.90 3iiv h VAL 66 Cb 0.32 0.89 -0.06 0.00 -2.13 0.00 0.00 31.29 30.31 3iiv h VAL 66 CO -0.04 0.22 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.13 3iiv h GLU 67 N 0.46 0.01 0.07 5.19 5.08 -1.11 0.33 114.58 124.62 3iiv h GLU 67 Ca 0.11 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3iiv h GLU 67 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3iiv h GLU 67 CO 0.00 0.01 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.77 3iiv h LYS 68 N 0.01 -0.09 -0.67 2.33 3.64 -0.61 -2.82 116.57 118.36 3iiv h LYS 68 Ca 0.15 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3iiv h LYS 68 Cb 0.23 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3iiv h LYS 68 CO -0.31 0.14 0.41 0.28 -2.27 0.00 0.00 179.45 177.70 3iiv h VAL 69 N -0.32 1.07 -0.80 2.00 2.07 -0.91 -2.32 116.25 117.03 3iiv h VAL 69 Ca -0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3iiv h VAL 69 Cb 0.28 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3iiv h VAL 69 CO 0.02 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.24 3iiv h ALA 70 N 1.30 1.35 -0.69 1.67 0.00 -0.86 0.20 119.26 122.23 3iiv h ALA 70 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3iiv h ALA 70 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3iiv h ALA 70 CO -0.12 0.56 0.29 0.93 0.00 0.00 0.00 179.25 180.92 3iiv h GLU 71 N 1.10 1.03 0.00 0.00 5.08 -1.18 -3.37 114.58 117.24 3iiv h GLU 71 Ca 0.29 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3iiv h GLU 71 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3iiv h GLU 71 CO -0.06 0.84 -2.01 1.04 -1.00 0.00 0.00 179.01 177.82 3iiv n GLN 72 N -4.40 0.74 -4.80 2.33 6.02 -0.81 -4.94 117.38 111.52 3iiv n GLN 72 Ca 0.05 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 3iiv n GLN 72 Cb 0.16 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.06 2.36 -0.47 5.09 1.01 0.65 -4.97 121.20 121.81 3iiv s ILE 73 Ca -0.08 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3iiv s ILE 73 Cb 0.10 -1.95 0.43 0.00 0.01 0.00 0.00 42.46 41.04 3iiv s ILE 73 CO 0.79 0.54 1.36 -0.67 0.00 0.00 0.00 174.94 176.96 3iiv n ASP 74 N 3.84 5.47 -4.40 3.58 2.03 -1.26 -4.65 116.55 121.16 3iiv n ASP 74 Ca -0.19 -3.75 -0.20 0.00 0.52 0.00 0.00 54.79 51.16 3iiv n ASP 74 Cb 0.52 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.26 3iiv n ASP 74 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3iiv s ILE 75 N -5.11 1.42 0.40 5.18 -4.36 -1.26 -5.12 121.20 112.35 3iiv s ILE 75 Ca 0.51 -2.08 -0.26 0.00 -0.26 0.00 0.00 60.65 58.56 3iiv s ILE 75 Cb 0.42 -2.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.57 3iiv s ILE 75 CO -0.13 -0.28 1.28 -2.65 0.24 0.00 0.00 174.94 173.39 3iiv n PRO 76 N -0.55 1.99 -5.01 0.37 -0.02 -1.26 -4.88 135.00 125.64 3iiv n PRO 76 Ca -0.05 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 3iiv n PRO 76 Cb 0.64 -2.37 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.17 1.73 -0.07 4.25 1.01 -1.26 -1.58 121.20 124.10 3iiv s ILE 77 Ca 0.59 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3iiv s ILE 77 Cb -0.52 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3iiv s ILE 77 CO 0.59 0.49 -0.11 -0.89 0.00 0.00 0.00 174.94 175.02 3iiv s THR 78 N 0.27 3.33 -0.04 2.92 2.01 -0.11 -1.77 115.64 122.24 3iiv s THR 78 Ca -0.12 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.32 3iiv s THR 78 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3iiv s THR 78 CO 0.06 0.58 -0.23 0.68 -0.69 0.00 0.00 174.62 175.02 3iiv s VAL 79 N -0.57 2.26 0.26 3.82 -7.23 -0.56 -0.75 120.40 117.63 3iiv s VAL 79 Ca 0.08 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 3iiv s VAL 79 Cb -0.12 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.00 3iiv s VAL 79 CO 0.02 0.58 0.48 -0.83 -0.31 0.00 0.00 175.10 175.03 3iiv s GLY 80 N -0.41 0.67 0.00 2.32 0.00 -0.39 -0.67 107.32 108.84 3iiv s GLY 80 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3iiv s GLY 80 CO 0.01 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 173.04 3iiv n GLY 81 N -0.41 1.29 2.64 0.20 0.00 -1.26 -0.75 105.19 106.90 3iiv n GLY 81 Ca -0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 0.30 -0.48 3.57 -0.02 0.00 -1.26 -4.67 105.19 102.63 3iiv n GLY 82 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.08 4.31 -0.82 -0.61 1.01 -1.26 -4.89 121.20 115.85 3iiv s ILE 83 Ca 0.13 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.75 3iiv s ILE 83 Cb -0.06 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 3iiv s ILE 83 CO 0.16 -1.01 0.59 -1.22 0.00 0.00 0.00 174.94 173.46 3iiv n TYR 84 N 7.62 0.00 -3.86 3.97 4.01 -1.26 -4.65 117.16 122.99 3iiv n TYR 84 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 3iiv n TYR 84 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 3iiv n TYR 84 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3iiv s ASP 85 N -1.71 -0.19 0.20 7.72 1.47 -1.26 -4.89 116.67 118.01 3iiv s ASP 85 Ca 0.07 -0.68 -0.11 0.00 1.18 0.00 0.00 52.55 53.01 3iiv s ASP 85 Cb 0.09 0.60 0.13 0.00 -0.34 0.00 0.00 42.92 43.40 3iiv s ASP 85 CO 0.35 -1.13 1.85 0.15 0.68 0.00 0.00 175.17 177.07 3iiv h PHE 86 N 2.20 0.90 -0.65 2.11 3.57 -1.96 -2.11 116.94 120.99 3iiv h PHE 86 Ca -0.26 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 3iiv h PHE 86 Cb 1.25 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3iiv h PHE 86 CO 0.38 0.59 0.33 0.93 -2.23 0.00 0.00 178.31 178.32 3iiv h GLU 87 N 0.94 0.93 -0.06 1.11 4.39 -1.98 0.32 114.58 120.23 3iiv h GLU 87 Ca 0.25 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.82 3iiv h GLU 87 Cb -0.05 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3iiv h GLU 87 CO -0.05 0.73 0.01 1.15 -1.16 0.00 0.00 179.01 179.70 3iiv h THR 88 N 0.90 0.98 -0.25 1.13 2.02 -1.95 -0.94 112.91 114.80 3iiv h THR 88 Ca 0.23 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3iiv h THR 88 Cb 0.10 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3iiv h THR 88 CO -0.03 0.01 0.11 0.00 0.37 0.00 0.00 175.52 175.98 3iiv h ALA 89 N 1.04 0.30 -0.47 6.16 0.00 -1.07 -2.53 119.26 122.68 3iiv h ALA 89 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3iiv h ALA 89 Cb 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3iiv h ALA 89 CO -0.03 -0.29 0.23 1.03 0.00 0.00 0.00 179.25 180.19 3iiv h SER 90 N 0.24 0.32 -0.57 0.00 0.87 -0.18 -1.67 113.55 112.56 3iiv h SER 90 Ca 0.11 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 3iiv h SER 90 Cb 0.05 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 3iiv h SER 90 CO -0.09 0.22 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.10 3iiv h GLU 91 N 0.45 0.10 -0.25 2.24 5.08 -1.07 -0.77 114.58 120.37 3iiv h GLU 91 Ca 0.21 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3iiv h GLU 91 Cb 0.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3iiv h GLU 91 CO -0.16 0.07 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.69 3iiv h LEU 92 N 0.11 0.58 -0.39 1.33 3.38 -0.97 -1.77 115.31 117.58 3iiv h LEU 92 Ca 0.29 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3iiv h LEU 92 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3iiv h LEU 92 CO -0.49 0.89 0.25 0.40 0.09 0.00 0.00 178.44 179.58 3iiv h ILE 93 N 0.28 1.11 0.00 1.22 2.04 -1.12 -1.78 117.51 119.25 3iiv h ILE 93 Ca 0.05 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3iiv h ILE 93 Cb 0.69 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3iiv h ILE 93 CO 0.05 0.10 -0.14 -0.07 0.00 0.00 0.00 178.15 178.09 3iiv h LEU 94 N 0.52 0.00 0.00 1.44 3.38 -1.08 -1.77 115.31 117.79 3iiv h LEU 94 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iiv h LEU 94 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3iiv h LEU 94 CO -0.03 0.14 -0.03 -1.14 0.09 0.00 0.00 178.44 177.48 3iiv n ARG 95 N -3.40 0.24 0.00 1.13 3.00 -0.67 -4.92 116.66 112.03 3iiv n ARG 95 Ca -0.01 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3iiv n ARG 95 Cb 0.33 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 31.02 3iiv n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iiv n GLY 96 N 1.33 0.49 3.72 5.14 0.00 -0.67 -4.22 105.19 110.99 3iiv n GLY 96 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.71 3.74 0.12 4.61 0.00 -0.73 -4.87 121.76 123.92 3iiv s ALA 97 Ca 0.00 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 3iiv s ALA 97 Cb 0.00 -3.60 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 3iiv s ALA 97 CO 0.00 -0.76 1.26 -0.44 0.00 0.00 0.00 175.76 175.82 3iiv h ASP 98 N 6.43 0.48 -4.53 0.00 3.32 -1.74 -3.39 116.42 116.98 3iiv h ASP 98 Ca -0.43 -0.42 -0.27 0.00 0.02 0.00 0.00 57.03 55.93 3iiv h ASP 98 Cb 1.21 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 3iiv h ASP 98 CO 0.88 1.25 -0.73 -0.54 -1.72 0.00 0.00 179.24 178.38 3iiv s LYS 99 N -3.08 0.44 -0.05 3.56 1.02 -0.73 -4.49 119.74 116.42 3iiv s LYS 99 Ca -0.05 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.44 3iiv s LYS 99 Cb 0.08 -0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.14 3iiv s LYS 99 CO 0.87 0.05 -0.23 0.14 -0.92 0.00 0.00 175.35 175.26 3iiv s VAL 100 N -1.02 2.28 -0.14 3.17 -7.23 -0.44 -1.50 120.40 115.51 3iiv s VAL 100 Ca -0.07 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 3iiv s VAL 100 Cb -0.08 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3iiv s VAL 100 CO 0.00 0.57 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.63 3iiv s GLU 101 N -0.35 3.50 0.13 4.82 2.12 0.15 -0.95 118.70 128.11 3iiv s GLU 101 Ca 0.02 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 54.92 3iiv s GLU 101 Cb -0.12 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 3iiv s GLU 101 CO 0.02 0.35 -0.16 0.96 -0.54 0.00 0.00 175.26 175.89 3iiv s ILE 102 N 0.07 1.48 0.00 -3.70 -4.36 -0.27 -4.28 121.20 110.13 3iiv s ILE 102 Ca 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3iiv s ILE 102 Cb -0.13 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.01 3iiv s ILE 102 CO 0.03 -0.33 0.00 -3.20 0.24 0.00 0.00 174.94 171.68 3iiv n ASN 103 N 0.61 0.00 -0.06 4.36 2.85 -1.26 -1.79 115.26 119.97 3iiv n ASN 103 Ca -0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.21 3iiv n ASN 103 Cb 0.56 0.14 -0.04 0.00 1.24 0.00 0.00 39.78 41.69 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 1.13 -0.04 -0.44 2.02 -1.92 -1.92 112.91 111.73 3iiv h THR 104 Ca 0.00 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 3iiv h THR 104 Cb 0.00 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3iiv h THR 104 CO 0.00 0.12 -0.31 0.00 0.37 0.00 0.00 175.52 175.70 3iiv h ALA 105 N 0.98 1.41 -0.32 6.16 0.00 -1.90 -1.70 119.26 123.89 3iiv h ALA 105 Ca 0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3iiv h ALA 105 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iiv h ALA 105 CO -0.01 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.44 3iiv h ALA 106 N 1.62 0.46 -0.47 0.00 0.00 -1.75 0.79 119.26 119.91 3iiv h ALA 106 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3iiv h ALA 106 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3iiv h ALA 106 CO 0.04 0.43 0.22 0.28 0.00 0.00 0.00 179.25 180.22 3iiv h VAL 107 N 0.48 1.19 0.00 0.00 2.07 -1.11 -0.40 116.25 118.48 3iiv h VAL 107 Ca 0.06 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 3iiv h VAL 107 Cb 0.78 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3iiv h VAL 107 CO 0.06 0.22 -0.71 -0.33 0.02 0.00 0.00 177.57 176.83 3iiv h GLU 108 N 0.62 0.00 -1.69 1.57 5.08 -1.26 -3.39 114.58 115.51 3iiv h GLU 108 Ca 0.16 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.03 3iiv h GLU 108 Cb 0.14 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.05 3iiv h GLU 108 CO -0.02 0.71 -0.96 -1.71 -1.00 0.00 0.00 179.01 176.03 3iiv n ASN 109 N -3.69 -0.63 0.32 1.42 5.15 0.27 -4.99 115.26 113.11 3iiv n ASN 109 Ca -0.01 -2.74 0.20 0.00 -0.60 0.00 0.00 54.58 51.42 3iiv n ASN 109 Cb 0.69 -0.11 1.04 0.00 -0.53 0.00 0.00 39.78 40.88 3iiv n ASN 109 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iiv h PRO 110 N 4.35 0.00 -0.92 1.20 0.11 -1.26 -0.06 132.00 135.42 3iiv h PRO 110 Ca 0.07 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.45 3iiv h PRO 110 Cb 0.92 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3iiv h PRO 110 CO 0.40 0.00 0.66 0.77 -0.21 0.00 0.00 178.00 179.62 3iiv h SER 111 N 0.00 0.01 -0.88 -2.05 0.02 -1.92 -1.13 113.55 107.59 3iiv h SER 111 Ca 0.01 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3iiv h SER 111 Cb 0.24 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3iiv h SER 111 CO -0.00 0.00 0.56 0.25 -1.14 0.00 0.00 176.83 176.50 3iiv h LEU 112 N 0.01 0.90 -0.28 5.07 5.85 -1.33 0.34 115.31 125.86 3iiv h LEU 112 Ca 0.44 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.23 3iiv h LEU 112 Cb 1.74 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 3iiv h LEU 112 CO -0.01 0.59 -0.14 0.40 -0.34 0.00 0.00 178.44 178.94 3iiv h ILE 113 N 1.04 0.58 -0.58 4.05 2.04 -1.40 -1.87 117.51 121.37 3iiv h ILE 113 Ca 0.37 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.17 3iiv h ILE 113 Cb 0.12 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3iiv h ILE 113 CO -0.15 0.00 0.12 0.74 0.00 0.00 0.00 178.15 178.85 3iiv h THR 114 N -0.09 1.25 -0.35 -0.27 2.02 -1.33 -1.58 112.91 112.56 3iiv h THR 114 Ca 0.15 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.43 3iiv h THR 114 Cb 0.32 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3iiv h THR 114 CO -0.35 0.35 0.10 1.56 0.37 0.00 0.00 175.52 177.55 3iiv h GLN 115 N 0.85 0.23 -0.08 6.66 4.20 -0.66 0.31 115.11 126.60 3iiv h GLN 115 Ca 0.18 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3iiv h GLN 115 Cb 0.39 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3iiv h GLN 115 CO 0.01 0.15 -0.02 0.82 -0.67 0.00 0.00 178.83 179.11 3iiv h ILE 116 N 0.23 1.30 -0.35 2.54 2.04 -1.22 -3.13 117.51 118.93 3iiv h ILE 116 Ca 0.16 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3iiv h ILE 116 Cb 0.16 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3iiv h ILE 116 CO -0.19 0.27 0.08 0.00 0.00 0.00 0.00 178.15 178.31 3iiv h ALA 117 N 0.66 1.49 -1.00 1.87 0.00 -1.10 -0.10 119.26 121.08 3iiv h ALA 117 Ca 0.02 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iiv h ALA 117 Cb 0.44 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3iiv h ALA 117 CO 0.01 0.38 0.64 1.96 0.00 0.00 0.00 179.25 182.24 3iiv h GLN 118 N 0.50 1.05 0.06 0.00 4.20 -0.33 0.35 115.11 120.95 3iiv h GLN 118 Ca 0.12 -0.06 -0.29 0.00 0.06 0.00 0.00 58.65 58.47 3iiv h GLN 118 Cb 0.21 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3iiv h GLN 118 CO -0.00 0.70 -1.59 1.15 -0.67 0.00 0.00 178.83 178.42 3iiv h THR 119 N 1.08 0.80 -0.01 -0.54 2.02 -1.45 -3.42 112.91 111.40 3iiv h THR 119 Ca 0.46 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.38 3iiv h THR 119 Cb 0.31 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 3iiv h THR 119 CO -0.21 0.58 -0.60 0.49 0.37 0.00 0.00 175.52 176.16 3iiv n PHE 120 N -4.00 0.00 0.00 3.16 3.72 -0.09 -5.09 117.46 115.16 3iiv n PHE 120 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 3iiv n PHE 120 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 1.36 -1.17 0.29 1.37 0.00 0.11 -4.30 105.19 102.85 3iiv n GLY 121 Ca 0.06 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 0.07 0.02 1.61 4.64 -1.75 -2.55 113.55 115.59 3iiv h SER 122 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iiv h SER 122 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3iiv h SER 122 CO 0.00 0.05 -0.01 0.06 -0.87 0.00 0.00 176.83 176.06 3iiv h GLN 123 N 0.08 0.00 -0.00 4.77 3.07 -1.87 0.27 115.11 121.44 3iiv h GLN 123 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3iiv h GLN 123 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3iiv h GLN 123 CO -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 178.83 178.86 3iiv n ALA 124 N -2.33 2.52 -3.19 0.06 0.00 -0.96 -4.84 120.51 111.77 3iiv n ALA 124 Ca -0.03 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 3iiv n ALA 124 Cb 0.09 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.86 3.76 -0.15 0.00 1.01 0.02 -1.33 120.40 120.85 3iiv s VAL 125 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3iiv s VAL 125 Cb 0.19 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3iiv s VAL 125 CO 0.53 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 175.25 3iiv s VAL 126 N 1.08 3.04 -0.25 2.92 1.01 -0.13 -0.48 120.40 127.60 3iiv s VAL 126 Ca 0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 3iiv s VAL 126 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3iiv s VAL 126 CO 0.01 0.51 0.11 -0.69 0.00 0.00 0.00 175.10 175.04 3iiv s VAL 127 N 0.58 4.76 -0.16 2.92 1.01 -0.45 -1.12 120.40 127.94 3iiv s VAL 127 Ca -0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 3iiv s VAL 127 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3iiv s VAL 127 CO 0.03 0.33 0.61 -0.47 0.00 0.00 0.00 175.10 175.60 3iiv s TYR 128 N 1.41 3.44 -0.29 5.22 5.04 -0.74 -1.00 117.35 130.43 3iiv s TYR 128 Ca 0.06 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3iiv s TYR 128 Cb -0.15 -2.74 0.04 0.00 0.35 0.00 0.00 41.96 39.46 3iiv s TYR 128 CO 0.05 -0.06 -0.01 0.42 -1.34 0.00 0.00 175.55 174.62 3iiv s ILE 129 N 1.45 3.02 -0.32 3.14 1.01 0.53 -4.52 121.20 125.50 3iiv s ILE 129 Ca 0.29 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 3iiv s ILE 129 Cb -0.16 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3iiv s ILE 129 CO 0.12 -0.02 0.47 0.00 0.00 0.00 0.00 174.94 175.50 3iiv s ALA 130 N 1.29 3.51 0.15 9.38 0.00 -1.26 -0.58 121.76 134.25 3iiv s ALA 130 Ca -0.03 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.05 3iiv s ALA 130 Cb -0.19 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3iiv s ALA 130 CO -0.02 -1.05 -0.19 0.00 0.00 0.00 0.00 175.76 174.51 3iiv s ALA 131 N 2.28 1.98 -0.02 0.00 0.00 -0.37 -0.45 121.76 125.18 3iiv s ALA 131 Ca 0.17 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 3iiv s ALA 131 Cb -0.16 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3iiv s ALA 131 CO 0.12 0.26 0.24 0.21 0.00 0.00 0.00 175.76 176.59 3iiv s LYS 132 N -2.63 0.54 0.00 0.00 2.20 -0.64 -0.60 119.74 118.61 3iiv s LYS 132 Ca 0.14 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3iiv s LYS 132 Cb -0.07 0.24 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 3iiv s LYS 132 CO 0.06 -0.13 1.49 1.03 -0.36 0.00 0.00 175.35 177.44 3iiv s ARG 133 N -1.08 4.25 -0.18 4.03 0.52 -1.26 -0.61 118.95 124.62 3iiv s ARG 133 Ca -0.11 2.08 -0.03 0.00 -0.52 0.00 0.00 55.73 57.14 3iiv s ARG 133 Cb -0.05 -3.64 0.06 0.00 0.52 0.00 0.00 34.95 31.83 3iiv s ARG 133 CO 0.03 -0.66 0.04 0.08 0.02 0.00 0.00 175.30 174.81 3iiv s VAL 134 N 2.72 0.39 -1.50 3.52 1.01 0.28 -4.88 120.40 121.93 3iiv s VAL 134 Ca 0.67 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3iiv s VAL 134 Cb -0.33 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.21 3iiv s VAL 134 CO 0.28 -0.19 0.70 0.47 0.00 0.00 0.00 175.10 176.36 3iiv n ASP 135 N 5.10 -2.34 -0.00 3.32 8.00 -1.26 -1.46 116.55 127.91 3iiv n ASP 135 Ca -0.08 -0.92 -0.00 0.00 0.71 0.00 0.00 54.79 54.49 3iiv n ASP 135 Cb 0.48 -3.34 -0.00 0.00 -0.02 0.00 0.00 41.12 38.23 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 -1.70 0.48 3.19 0.44 0.00 -1.26 -5.03 105.19 101.32 3iiv n GLY 136 Ca -0.12 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.23 1.68 -0.27 1.61 2.02 -0.53 -5.11 118.70 117.86 3iiv s GLU 137 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 3iiv s GLU 137 Cb 0.00 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.66 3iiv s GLU 137 CO 0.00 0.39 1.18 -0.06 0.02 0.00 0.00 175.26 176.79 3iiv s PHE 138 N -0.35 2.97 0.18 1.61 0.08 -1.26 -0.55 117.98 120.66 3iiv s PHE 138 Ca 0.05 1.09 0.09 0.00 0.12 0.00 0.00 56.93 58.28 3iiv s PHE 138 Cb -0.09 -3.66 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 3iiv s PHE 138 CO 0.00 -1.22 -0.09 -1.64 -0.10 0.00 0.00 175.22 172.17 3iiv s MET 139 N 3.71 2.08 -0.09 0.44 -1.94 0.22 -1.13 119.30 122.60 3iiv s MET 139 Ca 0.51 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 53.05 3iiv s MET 139 Cb -0.16 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 3iiv s MET 139 CO 0.16 0.43 0.46 0.08 -0.01 0.00 0.00 175.02 176.14 3iiv s VAL 140 N -1.72 5.14 -0.06 -6.03 1.01 0.02 -1.62 120.40 117.13 3iiv s VAL 140 Ca 0.25 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.20 3iiv s VAL 140 Cb -0.09 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3iiv s VAL 140 CO 0.15 0.39 -0.21 -0.36 0.00 0.00 0.00 175.10 175.08 3iiv s PHE 141 N 0.18 2.55 0.55 5.22 0.40 0.41 -1.74 117.98 125.54 3iiv s PHE 141 Ca 0.25 -0.55 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 3iiv s PHE 141 Cb -0.16 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.77 3iiv s PHE 141 CO 0.11 -0.11 0.27 0.95 0.70 0.00 0.00 175.22 177.15 3iiv s THR 142 N -0.26 1.33 -0.91 0.64 -4.23 -0.05 -4.33 115.64 107.84 3iiv s THR 142 Ca 0.00 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 3iiv s THR 142 Cb -0.13 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 3iiv s THR 142 CO 0.03 0.00 0.74 -1.22 -0.54 0.00 0.00 174.62 173.63 3iiv n TYR 143 N -1.65 -2.45 -3.81 3.99 4.01 -1.26 -0.57 117.16 115.41 3iiv n TYR 143 Ca -0.09 0.86 -0.28 0.00 -0.16 0.00 0.00 57.90 58.23 3iiv n TYR 143 Cb 0.65 -3.69 0.04 0.00 -0.31 0.00 0.00 39.34 36.03 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 -2.40 -4.70 0.00 7.72 7.64 -1.26 -2.51 113.62 118.12 3iiv n SER 144 Ca -0.09 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3iiv n SER 144 Cb 0.58 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 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 -1.74 0.44 0.02 0.23 0.00 -1.14 -4.92 105.19 98.07 3iiv n GLY 145 Ca -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 3iiv n GLY 145 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iiv n THR 146 N -2.95 0.34 -3.70 2.61 -1.04 -0.11 -4.87 114.28 104.56 3iiv n THR 146 Ca 0.00 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 61.39 3iiv n THR 146 Cb 0.02 -0.60 -0.12 0.00 -1.82 0.00 0.00 70.33 67.81 3iiv n THR 146 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3iiv s LYS 147 N -2.21 3.46 -0.50 -2.82 2.20 0.26 -4.94 119.74 115.19 3iiv s LYS 147 Ca -0.03 -0.62 -0.28 0.00 -0.36 0.00 0.00 55.97 54.68 3iiv s LYS 147 Cb 0.02 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3iiv s LYS 147 CO 0.26 -0.32 1.45 1.21 -0.36 0.00 0.00 175.35 177.58 3iiv s ASN 148 N 1.61 6.15 0.24 1.43 3.84 -1.26 -0.87 114.94 126.08 3iiv s ASN 148 Ca 0.05 0.52 0.25 0.00 0.21 0.00 0.00 52.86 53.90 3iiv s ASN 148 Cb -0.16 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.87 3iiv s ASN 148 CO 0.05 -1.64 1.75 0.35 -2.79 0.00 0.00 177.10 174.83 3iiv n THR 149 N 6.98 0.69 -0.99 -5.21 -2.24 -0.71 -4.88 114.28 107.93 3iiv n THR 149 Ca 0.15 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3iiv n THR 149 Cb 0.49 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3iiv n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iiv n GLY 150 N 0.79 0.55 3.75 3.38 0.00 -1.26 -5.02 105.19 107.38 3iiv n GLY 150 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.31 5.31 0.21 -0.61 1.01 -1.26 -4.99 121.20 118.57 3iiv s ILE 151 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 3iiv s ILE 151 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 3iiv s ILE 151 CO 0.00 0.43 1.22 -0.76 0.00 0.00 0.00 174.94 175.83 3iiv s LEU 152 N 0.18 4.45 0.24 2.97 1.43 -1.26 -0.80 118.68 125.89 3iiv s LEU 152 Ca 0.16 2.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.52 3iiv s LEU 152 Cb -0.13 -3.61 0.44 0.00 0.03 0.00 0.00 46.19 42.91 3iiv s LEU 152 CO 0.04 -0.39 1.67 0.25 0.23 0.00 0.00 176.35 178.15 3iiv h LEU 153 N 4.89 -0.11 -1.07 1.79 5.85 -1.42 -1.86 115.31 123.39 3iiv h LEU 153 Ca -0.45 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3iiv h LEU 153 Cb 1.21 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 3iiv h LEU 153 CO 0.73 -0.09 0.63 0.08 -0.34 0.00 0.00 178.44 179.45 3iiv h ARG 154 N 0.20 1.14 -0.31 1.25 0.11 -1.93 -0.99 114.38 113.86 3iiv h ARG 154 Ca 0.40 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 60.28 3iiv h ARG 154 Cb 0.70 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 3iiv h ARG 154 CO -0.55 0.76 -0.32 -0.44 0.10 0.00 0.00 179.97 179.51 3iiv h ASP 155 N 1.18 0.82 -0.37 0.08 3.45 -1.81 -3.21 116.42 116.57 3iiv h ASP 155 Ca 0.39 -0.48 -0.15 0.00 0.43 0.00 0.00 57.03 57.22 3iiv h ASP 155 Cb 0.05 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3iiv h ASP 155 CO -0.13 1.13 -0.37 -0.25 -1.57 0.00 0.00 179.24 178.06 3iiv h TRP 156 N 0.53 1.08 -0.63 4.55 -0.00 -0.91 -1.94 115.95 118.63 3iiv h TRP 156 Ca 0.05 -0.32 0.06 0.00 -0.00 0.00 0.00 58.89 58.68 3iiv h TRP 156 Cb 0.90 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.16 29.78 3iiv h TRP 156 CO 0.07 1.14 0.33 0.28 -0.00 0.00 0.00 178.44 180.26 3iiv h VAL 157 N 0.71 0.93 -0.58 2.65 2.07 -1.28 0.13 116.25 120.88 3iiv h VAL 157 Ca 0.06 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 3iiv h VAL 157 Cb 0.96 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3iiv h VAL 157 CO 0.09 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.32 3iiv h VAL 158 N 0.60 1.27 -0.52 2.57 2.07 -1.51 -2.66 116.25 118.07 3iiv h VAL 158 Ca 0.29 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 3iiv h VAL 158 Cb 0.22 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3iiv h VAL 158 CO -0.20 0.43 -0.08 -0.08 0.02 0.00 0.00 177.57 177.67 3iiv h GLU 159 N 0.95 0.97 -0.47 1.57 4.57 -0.65 -1.42 114.58 120.10 3iiv h GLU 159 Ca 0.16 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3iiv h GLU 159 Cb 0.62 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 3iiv h GLU 159 CO 0.04 1.02 0.23 0.28 -1.18 0.00 0.00 179.01 179.40 3iiv h VAL 160 N 0.83 0.95 -0.43 0.32 2.07 -0.65 0.27 116.25 119.62 3iiv h VAL 160 Ca 0.14 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3iiv h VAL 160 Cb 0.63 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3iiv h VAL 160 CO 0.04 0.08 0.15 -0.08 0.02 0.00 0.00 177.57 177.79 3iiv h GLU 161 N 0.46 0.65 -0.88 1.57 4.81 -1.33 -2.46 114.58 117.40 3iiv h GLU 161 Ca 0.21 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3iiv h GLU 161 Cb 0.12 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3iiv h GLU 161 CO -0.15 0.62 0.54 -0.22 -0.73 0.00 0.00 179.01 179.07 3iiv h LYS 162 N 0.55 1.19 0.00 1.92 3.64 -0.70 -2.54 116.57 120.63 3iiv h LYS 162 Ca 0.14 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3iiv h LYS 162 Cb 0.23 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3iiv h LYS 162 CO -0.01 0.83 -0.12 0.00 -2.27 0.00 0.00 179.45 177.89 3iiv h ARG 163 N 1.21 0.00 0.00 1.90 2.47 -0.82 -3.47 114.38 115.67 3iiv h ARG 163 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3iiv h ARG 163 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3iiv h ARG 163 CO -0.06 0.12 0.00 0.41 0.56 0.00 0.00 179.97 181.00 3iiv n GLY 164 N 0.25 1.68 3.74 0.04 0.00 -0.95 -3.15 105.19 106.80 3iiv n GLY 164 Ca 0.01 0.00 -0.36 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 2.47 -0.13 4.61 0.00 -0.95 -4.29 121.76 121.46 3iiv s ALA 165 Ca 0.00 1.12 0.18 0.00 0.00 0.00 0.00 51.96 53.25 3iiv s ALA 165 Cb 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.38 3iiv s ALA 165 CO 0.00 -1.37 0.37 0.41 0.00 0.00 0.00 175.76 175.17 3iiv n GLY 166 N 0.70 -1.04 3.41 0.00 0.00 0.37 -4.80 105.19 103.82 3iiv n GLY 166 Ca 0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.77 1.24 -0.14 1.61 -1.05 -1.04 -4.21 118.70 112.34 3iiv s GLU 167 Ca -0.07 -0.56 0.02 0.00 -0.15 0.00 0.00 54.97 54.20 3iiv s GLU 167 Cb 0.08 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.34 3iiv s GLU 167 CO 0.84 -0.53 -0.19 0.42 0.95 0.00 0.00 175.26 176.75 3iiv s ILE 168 N -3.77 1.88 -0.24 1.83 1.01 -0.60 -1.34 121.20 119.97 3iiv s ILE 168 Ca 0.02 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 3iiv s ILE 168 Cb -0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3iiv s ILE 168 CO -0.12 0.51 0.54 -0.69 0.00 0.00 0.00 174.94 175.19 3iiv s VAL 169 N 1.04 5.06 -0.46 2.92 1.01 -0.17 -0.13 120.40 129.67 3iiv s VAL 169 Ca -0.03 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 3iiv s VAL 169 Cb -0.14 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.47 3iiv s VAL 169 CO -0.05 0.09 0.35 -0.22 0.00 0.00 0.00 175.10 175.27 3iiv s LEU 170 N 2.19 5.51 -0.29 3.92 2.96 0.13 -0.35 118.68 132.75 3iiv s LEU 170 Ca 0.23 -1.53 -0.09 0.00 -0.22 0.00 0.00 54.13 52.52 3iiv s LEU 170 Cb -0.16 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3iiv s LEU 170 CO 0.09 -0.63 0.13 -0.83 -1.32 0.00 0.00 176.35 173.79 3iiv s GLY 171 N 2.53 1.84 -0.42 7.98 0.00 0.25 -1.70 107.32 117.79 3iiv s GLY 171 Ca 0.04 -1.29 -0.24 0.00 0.00 0.00 0.00 44.72 43.23 3iiv s GLY 171 CO 0.03 0.64 0.82 -0.45 0.00 0.00 0.00 173.10 174.14 3iiv s SER 172 N 1.62 6.48 0.48 1.64 0.15 -1.07 -1.24 113.70 121.76 3iiv s SER 172 Ca 0.05 0.09 0.15 0.00 0.70 0.00 0.00 55.95 56.94 3iiv s SER 172 Cb -0.16 -2.40 1.11 0.00 -1.71 0.00 0.00 66.02 62.85 3iiv s SER 172 CO 0.06 -0.89 2.06 0.40 1.20 0.00 0.00 173.24 176.08 3iiv h ILE 173 N 5.93 1.07 0.00 6.45 2.04 -1.21 -0.68 117.51 131.10 3iiv h ILE 173 Ca -0.25 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3iiv h ILE 173 Cb 1.09 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3iiv h ILE 173 CO 0.96 0.10 0.00 0.47 0.00 0.00 0.00 178.15 179.68 3iiv n ASP 174 N -4.43 0.00 0.00 1.72 8.00 -1.26 -1.62 116.55 118.97 3iiv n ASP 174 Ca -0.02 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3iiv n ASP 174 Cb 0.17 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.34 1.02 -1.68 -1.24 5.12 -0.27 -4.98 116.66 113.28 3iiv n ARG 175 Ca 0.02 -0.99 -0.44 0.00 -1.93 0.00 0.00 57.85 54.51 3iiv n ARG 175 Cb 0.04 -0.99 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 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 -0.25 3.83 0.00 0.55 7.94 -0.64 -1.37 117.00 127.06 3iiv n LEU 176 Ca 0.00 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 3iiv n LEU 176 Cb 0.13 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.59 3iiv n LEU 176 CO 0.00 0.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 3iiv n GLY 177 N 4.22 2.10 3.92 -3.96 0.00 -1.26 -5.00 105.19 105.21 3iiv n GLY 177 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.94 2.46 -0.01 2.61 -4.23 -0.47 -5.03 115.64 108.04 3iiv s THR 178 Ca 0.00 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 3iiv s THR 178 Cb 0.00 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.80 3iiv s THR 178 CO 0.00 -0.08 1.01 0.29 -0.54 0.00 0.00 174.62 175.31 3iiv n LYS 179 N -2.91 0.05 -0.03 3.99 4.76 -1.25 -4.02 118.16 118.75 3iiv n LYS 179 Ca 0.08 -1.11 0.12 0.00 -2.87 0.00 0.00 58.31 54.53 3iiv n LYS 179 Cb 0.60 -0.52 0.18 0.00 -1.84 0.00 0.00 35.03 33.45 3iiv n LYS 179 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3iiv n SER 180 N -0.03 2.87 0.00 4.39 3.41 -1.13 -3.65 113.62 119.47 3iiv n SER 180 Ca 0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3iiv n SER 180 Cb 0.72 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 4.01 3.71 5.00 0.00 0.79 -4.97 105.19 115.08 3iiv n GLY 181 Ca 0.16 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.24 1.96 -1.29 1.61 2.02 -1.25 -4.35 117.35 113.80 3iiv s TYR 182 Ca 0.00 1.68 -0.18 0.00 -0.37 0.00 0.00 57.07 58.20 3iiv s TYR 182 Cb 0.00 -3.33 0.04 0.00 -0.40 0.00 0.00 41.96 38.27 3iiv s TYR 182 CO 0.00 -2.53 1.85 -3.47 -1.57 0.00 0.00 175.55 169.83 3iiv n ASP 183 N -3.56 4.44 0.19 2.29 -0.08 -1.26 -4.77 116.55 113.81 3iiv n ASP 183 Ca 0.12 -2.87 0.03 0.00 -1.51 0.00 0.00 54.79 50.56 3iiv n ASP 183 Cb 0.52 -1.71 0.39 0.00 2.34 0.00 0.00 41.12 42.66 3iiv n ASP 183 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3iiv h THR 184 N 5.35 1.23 -0.59 5.18 1.35 -1.94 -1.50 112.91 121.99 3iiv h THR 184 Ca 0.44 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3iiv h THR 184 Cb 0.83 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.83 3iiv h THR 184 CO 1.52 0.32 0.38 -0.08 -0.25 0.00 0.00 175.52 177.41 3iiv h GLU 185 N 0.00 0.79 -0.52 4.72 4.81 -1.99 0.13 114.58 122.52 3iiv h GLU 185 Ca -0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3iiv h GLU 185 Cb 0.58 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3iiv h GLU 185 CO 0.04 0.53 0.10 1.98 -0.73 0.00 0.00 179.01 180.93 3iiv h MET 186 N 0.80 0.85 -0.03 1.92 4.05 -1.75 -0.68 114.93 120.09 3iiv h MET 186 Ca 0.22 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3iiv h MET 186 Cb -0.07 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3iiv h MET 186 CO -0.04 0.83 0.00 0.82 0.23 0.00 0.00 176.91 178.75 3iiv h ILE 187 N 0.73 0.99 -0.50 1.77 2.04 -1.08 -1.79 117.51 119.68 3iiv h ILE 187 Ca 0.16 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3iiv h ILE 187 Cb 0.38 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3iiv h ILE 187 CO 0.01 0.00 0.33 0.03 0.00 0.00 0.00 178.15 178.52 3iiv h ARG 188 N 0.02 0.61 -0.42 2.37 3.08 -0.83 -0.49 114.38 118.72 3iiv h ARG 188 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3iiv h ARG 188 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3iiv h ARG 188 CO -0.02 0.41 0.21 0.35 -1.07 0.00 0.00 179.97 179.85 3iiv h PHE 189 N 0.63 0.60 0.00 3.04 3.57 -0.57 -3.20 116.94 121.02 3iiv h PHE 189 Ca 0.19 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3iiv h PHE 189 Cb -0.01 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3iiv h PHE 189 CO -0.00 0.48 -0.90 0.28 -2.23 0.00 0.00 178.31 175.95 3iiv h VAL 190 N 0.54 1.63 -0.56 1.41 2.07 -0.93 -3.39 116.25 117.01 3iiv h VAL 190 Ca 0.15 -3.02 0.11 0.00 0.82 0.00 0.00 66.70 64.76 3iiv h VAL 190 Cb 0.10 2.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.42 3iiv h VAL 190 CO -0.02 0.86 -0.02 -0.09 0.02 0.00 0.00 177.57 178.32 3iiv h ARG 191 N 0.01 0.09 0.00 1.57 9.65 -1.09 0.10 114.38 124.71 3iiv h ARG 191 Ca -0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3iiv h ARG 191 Cb 1.58 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.14 3iiv h ARG 191 CO 0.12 0.06 0.00 -0.35 2.80 0.00 0.00 179.97 182.60 3iiv n PRO 192 N -5.28 0.06 0.09 0.20 -0.04 -1.26 -3.49 135.00 125.28 3iiv n PRO 192 Ca 0.07 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 3iiv n PRO 192 Cb 0.31 -1.60 0.21 0.00 -0.04 0.00 0.00 33.50 32.38 3iiv n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iiv h LEU 193 N 0.00 0.00 -7.44 1.53 3.38 -1.02 -3.47 115.31 108.30 3iiv h LEU 193 Ca 0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3iiv h LEU 193 Cb 0.35 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.88 3iiv h LEU 193 CO 0.00 0.06 -0.29 0.28 0.09 0.00 0.00 178.44 178.59 3iiv s THR 194 N -3.17 0.03 -1.66 0.22 -1.32 -1.23 -4.63 115.64 103.87 3iiv s THR 194 Ca 0.07 -0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.59 3iiv s THR 194 Cb 0.12 -0.55 0.28 0.00 -1.51 0.00 0.00 72.50 70.84 3iiv s THR 194 CO 0.69 -0.12 1.61 0.35 -2.21 0.00 0.00 174.62 174.95 3iiv n THR 195 N 2.12 0.00 -1.66 5.08 -2.24 -1.26 -4.91 114.28 111.42 3iiv n THR 195 Ca -0.17 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3iiv n THR 195 Cb 0.57 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.54 3.31 0.30 3.22 1.43 -1.26 -4.98 118.68 118.16 3iiv s LEU 196 Ca 0.24 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 3iiv s LEU 196 Cb 0.19 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.75 3iiv s LEU 196 CO 0.53 -1.71 1.54 -2.65 0.23 0.00 0.00 176.35 174.29 3iiv n PRO 197 N -2.65 2.57 -4.60 1.29 -0.02 -1.26 -4.90 135.00 125.43 3iiv n PRO 197 Ca 0.10 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3iiv n PRO 197 Cb 0.52 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 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 -0.23 3.03 -0.23 4.25 1.01 -1.26 -1.55 121.20 126.22 3iiv s ILE 198 Ca 0.63 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 3iiv s ILE 198 Cb -0.52 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3iiv s ILE 198 CO 0.52 0.51 -0.02 -0.63 0.00 0.00 0.00 174.94 175.32 3iiv s ILE 199 N 0.58 3.50 0.19 2.92 -1.09 0.82 -0.27 121.20 127.85 3iiv s ILE 199 Ca -0.07 -0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 57.54 3iiv s ILE 199 Cb -0.15 -2.63 -0.08 0.00 -1.58 0.00 0.00 42.46 38.01 3iiv s ILE 199 CO 0.03 0.37 1.14 0.00 -1.23 0.00 0.00 174.94 175.24 3iiv s ALA 200 N 1.49 3.40 -0.02 9.38 0.00 -0.48 0.21 121.76 135.73 3iiv s ALA 200 Ca 0.05 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 3iiv s ALA 200 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3iiv s ALA 200 CO -0.02 -0.27 0.05 -1.58 0.00 0.00 0.00 175.76 173.94 3iiv s HIS 201 N -0.27 -0.04 0.00 0.00 5.04 -0.69 -0.85 115.29 118.48 3iiv s HIS 201 Ca 0.50 0.14 0.00 0.00 -1.54 0.00 0.00 55.06 54.17 3iiv s HIS 201 Cb -0.31 -0.03 0.00 0.00 0.04 0.00 0.00 32.58 32.28 3iiv s HIS 201 CO 0.36 -0.04 0.00 0.54 -2.34 0.00 0.00 174.74 173.26 3iiv n ARG 202 N 3.30 0.00 0.00 2.88 1.74 -1.26 -2.59 116.66 120.73 3iiv n ARG 202 Ca -0.15 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3iiv n ARG 202 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 3iiv n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iiv n GLY 203 N 1.88 1.64 3.69 -0.13 0.00 -1.23 -4.13 105.19 106.90 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 -2.02 3.67 0.00 4.61 0.00 -1.26 -0.15 121.76 126.61 3iiv s ALA 204 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3iiv s ALA 204 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3iiv s ALA 204 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 3iiv n GLY 205 N 3.98 0.00 3.51 0.00 0.00 -1.24 -4.70 105.19 106.74 3iiv n GLY 205 Ca 0.16 0.00 -0.09 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 -1.30 1.39 0.25 1.61 -2.85 -1.26 -4.88 119.74 112.71 3iiv s LYS 206 Ca 0.00 -1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 53.87 3iiv s LYS 206 Cb 0.00 0.47 0.39 0.00 -2.06 0.00 0.00 37.83 36.64 3iiv s LYS 206 CO 0.00 -0.57 1.85 1.79 0.10 0.00 0.00 175.35 178.52 3iiv h THR 207 N 2.29 1.01 0.00 3.79 1.35 -2.00 -1.36 112.91 118.00 3iiv h THR 207 Ca -0.28 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 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 0.18 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.43 3iiv h GLU 208 N 0.98 0.00 0.00 4.72 3.07 -1.99 -1.93 114.58 119.43 3iiv h GLU 208 Ca 0.41 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3iiv h GLU 208 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3iiv h GLU 208 CO -0.20 0.08 -0.18 0.45 -1.40 0.00 0.00 179.01 177.75 3iiv h HIS 209 N 0.00 0.00 -0.18 4.33 3.86 -1.66 -2.06 115.15 119.44 3iiv h HIS 209 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3iiv h HIS 209 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3iiv h HIS 209 CO 0.00 0.18 -0.02 0.74 0.86 0.00 0.00 177.93 179.69 3iiv h PHE 210 N 0.00 0.36 -0.52 2.45 0.04 -1.47 -1.70 116.94 116.10 3iiv h PHE 210 Ca -0.00 -0.07 0.09 0.00 2.80 0.00 0.00 57.97 60.79 3iiv h PHE 210 Cb 0.33 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 3iiv h PHE 210 CO 0.00 0.56 0.07 1.25 -0.60 0.00 0.00 178.31 179.60 3iiv h LEU 211 N 0.06 -0.07 -0.59 1.54 5.85 -1.57 -1.71 115.31 118.82 3iiv h LEU 211 Ca 0.05 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3iiv h LEU 211 Cb 0.43 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3iiv h LEU 211 CO 0.01 -0.01 0.36 -0.33 -0.34 0.00 0.00 178.44 178.13 3iiv h GLU 212 N 0.20 0.69 -0.76 1.25 5.08 -1.27 -0.85 114.58 118.93 3iiv h GLU 212 Ca 0.26 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3iiv h GLU 212 Cb 0.38 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3iiv h GLU 212 CO -0.37 0.45 0.48 0.00 -1.00 0.00 0.00 179.01 178.57 3iiv h ALA 213 N 1.26 1.00 -0.47 3.43 0.00 -0.74 -1.46 119.26 122.28 3iiv h ALA 213 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3iiv h ALA 213 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iiv h ALA 213 CO -0.10 0.27 -0.16 0.74 0.00 0.00 0.00 179.25 180.00 3iiv h PHE 214 N 0.93 1.07 -0.26 0.00 0.04 -0.86 -2.39 116.94 115.46 3iiv h PHE 214 Ca 0.31 -0.24 0.05 0.00 2.80 0.00 0.00 57.97 60.88 3iiv h PHE 214 Cb 0.03 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3iiv h PHE 214 CO -0.04 1.04 0.18 -0.07 -0.60 0.00 0.00 178.31 178.83 3iiv h LEU 215 N 0.79 0.12 -0.23 1.54 3.38 -0.88 -1.45 115.31 118.58 3iiv h LEU 215 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iiv h LEU 215 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3iiv h LEU 215 CO 0.06 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3iiv n ALA 216 N -2.55 1.99 0.00 1.53 0.00 -0.57 -4.90 120.51 116.00 3iiv n ALA 216 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3iiv n ALA 216 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.70 0.99 3.76 0.00 0.00 -0.54 -3.92 105.19 106.18 3iiv n GLY 217 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 2.97 -0.50 4.61 0.00 -0.94 -4.82 121.76 121.08 3iiv s ALA 218 Ca 0.00 1.28 0.23 0.00 0.00 0.00 0.00 51.96 53.47 3iiv s ALA 218 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3iiv s ALA 218 CO 0.00 -1.16 0.97 -0.25 0.00 0.00 0.00 175.76 175.32 3iiv n ASP 219 N -0.65 0.58 -3.54 0.00 8.00 0.62 -4.58 116.55 116.98 3iiv n ASP 219 Ca 0.08 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3iiv n ASP 219 Cb 0.45 0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 42.38 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 -3.25 -1.33 -0.05 2.24 0.00 -1.10 -1.66 121.76 116.61 3iiv s ALA 220 Ca 0.02 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3iiv s ALA 220 Cb 0.14 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3iiv s ALA 220 CO 0.81 -0.61 -0.13 0.00 0.00 0.00 0.00 175.76 175.83 3iiv s ALA 221 N -3.11 1.23 -0.12 0.00 0.00 -0.21 -1.38 121.76 118.16 3iiv s ALA 221 Ca -0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3iiv s ALA 221 Cb -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3iiv s ALA 221 CO -0.07 0.16 0.01 0.21 0.00 0.00 0.00 175.76 176.07 3iiv s LYS 222 N 0.41 3.36 0.22 0.00 2.20 -0.03 -1.10 119.74 124.80 3iiv s LYS 222 Ca -0.09 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 3iiv s LYS 222 Cb -0.13 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 3iiv s LYS 222 CO 0.03 0.52 0.24 0.00 -0.36 0.00 0.00 175.35 175.77 3iiv s ALA 223 N -0.37 0.81 0.00 3.13 0.00 -0.81 -4.35 121.76 120.16 3iiv s ALA 223 Ca 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3iiv s ALA 223 Cb -0.12 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.30 3iiv s ALA 223 CO 0.02 -0.67 0.00 -0.40 0.00 0.00 0.00 175.76 174.71 3iiv n ASP 224 N -0.37 0.00 -0.10 0.00 5.75 -1.26 -0.78 116.55 119.79 3iiv n ASP 224 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.93 3iiv n ASP 224 Cb 0.65 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.27 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 0.32 0.30 -1.12 4.64 -1.98 0.52 113.55 116.23 3iiv h SER 225 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3iiv h SER 225 Cb 0.00 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3iiv h SER 225 CO 0.00 0.18 -0.16 1.62 -0.87 0.00 0.00 176.83 177.60 3iiv h VAL 226 N 0.35 0.80 0.08 0.95 3.04 -1.92 0.33 116.25 119.89 3iiv h VAL 226 Ca 0.30 -0.61 -0.26 0.00 -1.01 0.00 0.00 66.70 65.13 3iiv h VAL 226 Cb 0.71 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3iiv h VAL 226 CO -0.08 0.15 -1.35 -0.26 -1.01 0.00 0.00 177.57 175.02 3iiv h PHE 227 N 0.00 0.31 -0.24 3.17 0.04 -1.20 -1.65 116.94 117.38 3iiv h PHE 227 Ca -0.00 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 3iiv h PHE 227 Cb 0.35 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3iiv h PHE 227 CO 0.00 1.53 0.07 0.45 -0.60 0.00 0.00 178.31 179.76 3iiv h HIS 228 N -0.47 0.33 0.00 -0.55 3.86 -0.84 -0.94 115.15 116.53 3iiv h HIS 228 Ca -0.31 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3iiv h HIS 228 Cb 1.64 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.00 3iiv h HIS 228 CO 0.12 0.28 0.00 0.66 0.86 0.00 0.00 177.93 179.86 3iiv h SER 229 N 0.33 0.00 -0.31 2.45 4.64 -1.11 0.67 113.55 120.22 3iiv h SER 229 Ca 0.08 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 3iiv h SER 229 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3iiv h SER 229 CO -0.01 0.00 -0.12 0.54 -0.87 0.00 0.00 176.83 176.37 3iiv n ARG 230 N -2.33 -0.56 -0.24 4.77 1.74 -0.36 -4.76 116.66 114.92 3iiv n ARG 230 Ca 0.05 0.68 -0.08 0.00 -0.77 0.00 0.00 57.85 57.73 3iiv n ARG 230 Cb 0.39 -4.46 0.04 0.00 -1.02 0.00 0.00 32.46 27.41 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 0.10 1.13 -5.72 5.56 5.08 -1.70 -3.40 114.58 115.63 3iiv h GLU 231 Ca -0.13 -0.30 -0.68 0.00 -1.00 0.00 0.00 59.36 57.25 3iiv h GLU 231 Cb 0.48 -0.13 -0.32 0.00 0.50 0.00 0.00 28.75 29.27 3iiv h GLU 231 CO 0.19 1.02 -0.88 0.42 -1.00 0.00 0.00 179.01 178.77 3iiv s ILE 232 N -5.21 2.03 -0.21 3.13 1.01 -0.66 -5.00 121.20 116.30 3iiv s ILE 232 Ca -0.12 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 3iiv s ILE 232 Cb 0.14 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3iiv s ILE 232 CO 0.85 0.56 0.53 -0.62 0.00 0.00 0.00 174.94 176.26 3iiv s ASP 233 N 0.05 6.56 0.24 3.58 2.15 -1.26 -4.48 116.67 123.50 3iiv s ASP 233 Ca -0.10 0.67 -0.06 0.00 0.43 0.00 0.00 52.55 53.49 3iiv s ASP 233 Cb -0.15 -2.30 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 3iiv s ASP 233 CO 0.06 -0.21 1.70 0.58 -0.17 0.00 0.00 175.17 177.13 3iiv h VAL 234 N 5.17 0.58 -0.34 1.11 2.07 -1.95 0.11 116.25 123.00 3iiv h VAL 234 Ca -0.33 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 3iiv h VAL 234 Cb 1.15 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3iiv h VAL 234 CO 0.74 0.06 -0.16 -0.09 0.02 0.00 0.00 177.57 178.14 3iiv h ARG 235 N 0.31 0.70 -0.68 1.57 9.65 -1.95 -1.40 114.38 122.58 3iiv h ARG 235 Ca 0.39 -0.30 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3iiv h ARG 235 Cb 0.63 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 3iiv h ARG 235 CO -0.46 0.90 0.28 0.93 2.80 0.00 0.00 179.97 184.42 3iiv h GLU 236 N 0.48 1.00 0.01 0.20 5.08 -1.78 -0.89 114.58 118.68 3iiv h GLU 236 Ca 0.08 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3iiv h GLU 236 Cb 0.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3iiv h GLU 236 CO 0.05 0.81 -0.00 1.25 -1.00 0.00 0.00 179.01 180.11 3iiv h LEU 237 N 0.98 -0.01 -0.84 1.33 5.85 -0.61 -0.47 115.31 121.54 3iiv h LEU 237 Ca 0.23 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3iiv h LEU 237 Cb 0.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3iiv h LEU 237 CO -0.02 0.09 0.29 0.11 -0.34 0.00 0.00 178.44 178.57 3iiv h LYS 238 N -0.11 1.15 -0.67 1.25 1.57 -1.09 -0.55 116.57 118.12 3iiv h LYS 238 Ca -0.00 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3iiv h LYS 238 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3iiv h LYS 238 CO 0.00 0.94 0.45 0.93 -0.57 0.00 0.00 179.45 181.20 3iiv h GLU 239 N 1.12 0.88 0.24 3.15 4.39 -0.96 -1.38 114.58 122.02 3iiv h GLU 239 Ca 0.25 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3iiv h GLU 239 Cb 0.23 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3iiv h GLU 239 CO -0.02 0.58 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.38 3iiv h TYR 240 N 0.91 -0.30 -0.55 4.33 3.20 -0.61 -0.30 116.97 123.65 3iiv h TYR 240 Ca 0.25 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3iiv h TYR 240 Cb -0.10 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3iiv h TYR 240 CO -0.03 -0.19 0.31 -0.07 -1.64 0.00 0.00 178.16 176.55 3iiv h LEU 241 N -0.33 0.49 -0.46 2.82 3.38 -0.98 -1.89 115.31 118.34 3iiv h LEU 241 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iiv h LEU 241 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3iiv h LEU 241 CO 0.05 0.34 0.25 0.50 0.09 0.00 0.00 178.44 179.67 3iiv h LYS 242 N 0.61 0.65 -0.99 1.13 1.63 -1.10 -0.95 116.57 117.55 3iiv h LYS 242 Ca 0.23 -0.08 0.21 0.00 -0.85 0.00 0.00 60.65 60.16 3iiv h LYS 242 Cb 0.07 -0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 31.46 3iiv h LYS 242 CO -0.12 0.52 0.59 -0.22 -3.45 0.00 0.00 179.45 176.77 3iiv h LYS 243 N 0.61 0.67 -0.61 1.90 3.64 -0.54 -1.87 116.57 120.37 3iiv h LYS 243 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3iiv h LYS 243 Cb 0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3iiv h LYS 243 CO -0.02 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.32 3iiv n HIS 244 N -4.82 1.92 -0.10 1.91 8.25 -0.76 -4.91 115.22 116.70 3iiv n HIS 244 Ca 0.24 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3iiv n HIS 244 Cb 0.63 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 0.76 0.62 3.73 -1.41 0.00 -0.70 -5.05 105.19 103.13 3iiv n GLY 245 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.17 4.41 -1.11 1.61 1.01 -0.42 -4.97 120.40 118.77 3iiv s VAL 246 Ca 0.00 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.78 3iiv s VAL 246 Cb 0.00 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.19 3iiv s VAL 246 CO 0.00 0.30 1.48 0.21 0.00 0.00 0.00 175.10 177.09 3iiv s ASN 247 N 0.03 6.68 0.23 3.32 2.47 -1.26 -3.96 114.94 122.46 3iiv s ASN 247 Ca 0.48 -2.01 0.07 0.00 0.42 0.00 0.00 52.86 51.81 3iiv s ASN 247 Cb -0.24 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 36.99 3iiv s ASN 247 CO 0.30 -1.25 0.19 0.68 -3.72 0.00 0.00 177.10 173.30 3iiv s VAL 248 N 4.01 4.48 -0.28 -5.21 -7.23 -1.26 0.33 120.40 115.24 3iiv s VAL 248 Ca 0.46 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 59.08 3iiv s VAL 248 Cb 0.00 -3.39 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 3iiv s VAL 248 CO -0.04 -0.29 0.77 -0.60 -0.31 0.00 0.00 175.10 174.63 3iiv s ARG 249 N -3.67 4.06 0.00 4.82 3.52 -1.26 -4.96 118.95 121.45 3iiv s ARG 249 Ca 0.32 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 3iiv s ARG 249 Cb -0.08 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 3iiv s ARG 249 CO 0.25 -0.58 0.40 1.28 -0.81 0.00 0.00 175.30 175.84