#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it3 s SER 6 N 0.00 7.13 -0.02 4.04 0.15 -1.26 -4.72 113.70 119.01 3it3 s SER 6 Ca 0.00 1.34 0.06 0.00 0.70 0.00 0.00 55.95 58.05 3it3 s SER 6 Cb 0.00 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 3it3 s SER 6 CO 0.00 0.26 -0.20 -1.59 1.20 0.00 0.00 173.24 172.91 3it3 s LYS 7 N -1.13 1.69 -0.01 5.44 0.00 -0.42 -4.92 119.74 120.39 3it3 s LYS 7 Ca 0.30 -0.70 -0.30 0.00 0.00 0.00 0.00 55.97 55.27 3it3 s LYS 7 Cb -0.20 -1.59 -0.06 0.00 0.00 0.00 0.00 37.83 35.98 3it3 s LYS 7 CO 0.21 0.39 1.48 -1.17 0.00 0.00 0.00 175.35 176.26 3it3 s LEU 8 N -0.36 4.32 -0.00 2.77 2.96 -1.26 -0.45 118.68 126.65 3it3 s LEU 8 Ca 0.05 2.17 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 3it3 s LEU 8 Cb -0.09 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 3it3 s LEU 8 CO -0.00 -0.79 0.16 2.30 -1.32 0.00 0.00 176.35 176.70 3it3 n ILE 9 N 4.87 0.00 -3.56 6.68 -5.35 0.02 -4.69 119.36 117.33 3it3 n ILE 9 Ca 0.14 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 3it3 n ILE 9 Cb 0.43 0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 39.07 3it3 n ILE 9 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3it3 s PHE 10 N -1.72 -0.51 -0.02 4.28 5.36 -1.17 -4.82 117.98 119.38 3it3 s PHE 10 Ca 0.01 0.93 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3it3 s PHE 10 Cb 0.03 0.42 0.01 0.00 -0.34 0.00 0.00 43.02 43.14 3it3 s PHE 10 CO 0.18 -0.44 -0.03 0.08 -1.46 0.00 0.00 175.22 173.56 3it3 s VAL 11 N -0.96 0.30 -0.12 3.12 1.01 -0.78 -1.04 120.40 121.94 3it3 s VAL 11 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3it3 s VAL 11 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3it3 s VAL 11 CO 0.04 0.13 -0.08 -0.55 0.00 0.00 0.00 175.10 174.64 3it3 s SER 12 N 0.39 4.50 0.01 3.32 0.15 -0.34 -1.85 113.70 119.88 3it3 s SER 12 Ca -0.04 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3it3 s SER 12 Cb -0.07 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 3it3 s SER 12 CO -0.01 0.24 -0.14 -0.32 1.20 0.00 0.00 173.24 174.21 3it3 s MET 13 N -0.07 1.05 -0.04 5.44 0.00 0.38 -0.31 119.30 125.75 3it3 s MET 13 Ca -0.00 -0.61 0.06 0.00 0.00 0.00 0.00 55.69 55.14 3it3 s MET 13 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 34.83 33.64 3it3 s MET 13 CO 0.03 0.27 -0.22 0.42 0.00 0.00 0.00 175.02 175.53 3it3 s ILE 14 N -0.54 2.41 0.15 10.11 1.01 -0.21 -0.31 121.20 133.82 3it3 s ILE 14 Ca 0.04 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 59.82 3it3 s ILE 14 Cb -0.06 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3it3 s ILE 14 CO 0.00 0.58 -0.19 0.42 0.00 0.00 0.00 174.94 175.75 3it3 s THR 15 N -0.56 2.73 0.30 2.92 -4.23 -0.99 -1.02 115.64 114.78 3it3 s THR 15 Ca 0.08 -1.68 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 3it3 s THR 15 Cb -0.11 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 3it3 s THR 15 CO 0.00 0.01 0.73 -0.60 -0.54 0.00 0.00 174.62 174.22 3it3 s ARG 16 N -2.37 4.05 1.22 3.99 3.52 0.05 -0.73 118.95 128.68 3it3 s ARG 16 Ca 0.19 0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 56.34 3it3 s ARG 16 Cb -0.10 -2.54 0.30 0.00 -1.56 0.00 0.00 34.95 31.05 3it3 s ARG 16 CO 0.10 0.21 1.02 -3.38 -0.81 0.00 0.00 175.30 172.45 3it3 s HIS 17 N -1.87 0.86 0.48 5.12 -3.43 -0.70 -3.04 115.29 112.71 3it3 s HIS 17 Ca 0.51 0.89 -0.04 0.00 -0.80 0.00 0.00 55.06 55.62 3it3 s HIS 17 Cb -0.12 -3.11 0.10 0.00 -1.43 0.00 0.00 32.58 28.02 3it3 s HIS 17 CO 0.18 -4.04 0.66 0.41 -2.00 0.00 0.00 174.74 169.95 3it3 n GLY 18 N 0.43 -0.12 3.54 -1.38 0.00 -1.26 -1.62 105.19 104.78 3it3 n GLY 18 Ca 0.07 -1.88 -0.53 0.00 0.00 0.00 0.00 46.02 43.68 3it3 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3it3 n ASP 19 N -3.17 0.77 -4.28 1.61 -0.08 -1.26 -4.85 116.55 105.29 3it3 n ASP 19 Ca 0.10 1.14 -0.15 0.00 -1.51 0.00 0.00 54.79 54.37 3it3 n ASP 19 Cb 0.34 -1.09 -0.10 0.00 2.34 0.00 0.00 41.12 42.61 3it3 n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3it3 s ARG 20 N -0.04 1.23 0.88 -0.67 1.70 -1.26 -1.52 118.95 119.26 3it3 s ARG 20 Ca 0.82 -1.61 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 3it3 s ARG 20 Cb -1.03 -0.38 0.12 0.00 -0.57 0.00 0.00 34.95 33.10 3it3 s ARG 20 CO 0.52 -0.14 1.09 0.00 -1.08 0.00 0.00 175.30 175.69 3it3 s ALA 21 N -3.60 1.67 1.02 7.88 0.00 -0.60 -4.87 121.76 123.26 3it3 s ALA 21 Ca 0.27 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 3it3 s ALA 21 Cb 0.06 -3.18 0.20 0.00 0.00 0.00 0.00 23.12 20.20 3it3 s ALA 21 CO 0.07 -2.25 1.15 -2.14 0.00 0.00 0.00 175.76 172.59 3it3 s PRO 22 N -4.97 0.25 -0.02 0.00 0.02 -1.26 -3.24 135.00 125.78 3it3 s PRO 22 Ca 0.63 0.13 0.13 0.00 0.02 0.00 0.00 61.00 61.90 3it3 s PRO 22 Cb -0.17 -1.75 -0.22 0.00 0.02 0.00 0.00 34.50 32.38 3it3 s PRO 22 CO 0.56 -2.77 0.73 0.74 -0.33 0.00 0.00 177.00 175.93 3it3 h PHE 23 N -1.91 0.00 -1.73 6.54 0.04 -1.95 0.80 116.94 118.73 3it3 h PHE 23 Ca -0.49 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 59.67 3it3 h PHE 23 Cb 1.31 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.34 3it3 h PHE 23 CO -0.60 0.95 -0.60 0.00 -0.60 0.00 0.00 178.31 177.45 3it3 s ALA 24 N -2.65 3.18 0.02 2.45 0.00 -1.26 -4.89 121.76 118.61 3it3 s ALA 24 Ca -0.04 -2.21 0.04 0.00 0.00 0.00 0.00 51.96 49.75 3it3 s ALA 24 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3it3 s ALA 24 CO 0.82 -0.07 -0.08 -0.80 0.00 0.00 0.00 175.76 175.63 3it3 s ASN 25 N -3.72 4.51 -0.14 0.00 0.01 -1.26 -4.90 114.94 109.44 3it3 s ASN 25 Ca 0.35 -0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 52.00 3it3 s ASN 25 Cb 0.07 -1.00 -0.01 0.00 0.41 0.00 0.00 41.25 40.72 3it3 s ASN 25 CO 0.18 0.27 1.03 -0.63 -1.51 0.00 0.00 177.10 176.44 3it3 s ILE 26 N -1.02 4.73 0.32 0.60 1.01 -1.26 -4.95 121.20 120.63 3it3 s ILE 26 Ca 0.17 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.85 3it3 s ILE 26 Cb -0.11 -4.30 0.22 0.00 0.01 0.00 0.00 42.46 38.28 3it3 s ILE 26 CO 0.08 -0.05 1.93 -0.33 0.00 0.00 0.00 174.94 176.57 3it3 h GLU 27 N 7.22 0.86 -0.64 2.79 5.08 -1.89 -2.63 114.58 125.36 3it3 h GLU 27 Ca -0.28 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3it3 h GLU 27 Cb 1.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3it3 h GLU 27 CO 0.89 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 179.64 3it3 n ASN 28 N -4.37 4.56 -4.51 1.42 3.02 -0.56 -4.89 115.26 109.94 3it3 n ASN 28 Ca 0.06 -2.52 -0.25 0.00 -0.03 0.00 0.00 54.58 51.84 3it3 n ASN 28 Cb 0.12 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 3it3 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3it3 s ALA 29 N -2.04 2.84 -0.39 5.41 0.00 -0.99 -4.71 121.76 121.88 3it3 s ALA 29 Ca 0.46 -1.99 0.09 0.00 0.00 0.00 0.00 51.96 50.52 3it3 s ALA 29 Cb 0.32 -0.14 0.44 0.00 0.00 0.00 0.00 23.12 23.73 3it3 s ALA 29 CO 0.20 0.17 1.09 0.09 0.00 0.00 0.00 175.76 177.30 3it3 n ASN 30 N -0.71 3.94 -4.77 0.00 3.02 -1.26 -4.85 115.26 110.63 3it3 n ASN 30 Ca -0.05 -3.45 -0.40 0.00 -0.03 0.00 0.00 54.58 50.65 3it3 n ASN 30 Cb 0.62 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3it3 n ASN 30 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3it3 s TYR 31 N -3.47 3.01 -0.17 3.10 2.02 -1.26 -5.02 117.35 115.56 3it3 s TYR 31 Ca 0.43 1.43 0.01 0.00 -0.37 0.00 0.00 57.07 58.57 3it3 s TYR 31 Cb 0.41 -3.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 3it3 s TYR 31 CO -0.11 -1.84 -0.20 0.45 -1.57 0.00 0.00 175.55 172.28 3it3 s SER 32 N -0.59 3.18 -0.07 2.29 0.15 -1.26 -5.04 113.70 112.37 3it3 s SER 32 Ca 0.51 -0.63 0.14 0.00 0.70 0.00 0.00 55.95 56.67 3it3 s SER 32 Cb -0.39 -1.49 -0.23 0.00 -1.71 0.00 0.00 66.02 62.21 3it3 s SER 32 CO 0.51 0.02 0.55 0.79 1.20 0.00 0.00 173.24 176.30 3it3 n TRP 33 N 4.52 0.77 0.00 3.44 7.02 -1.26 -4.98 117.44 126.95 3it3 n TRP 33 Ca -0.21 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 3it3 n TRP 33 Cb 0.50 -1.13 0.00 0.00 -2.42 0.00 0.00 31.31 28.27 3it3 n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3it3 n GLY 34 N 1.58 1.73 3.14 6.99 0.00 -1.26 -5.01 105.19 112.36 3it3 n GLY 34 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3it3 n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it3 s THR 35 N -2.40 0.41 0.66 2.61 2.01 -1.26 -5.08 115.64 112.59 3it3 s THR 35 Ca 0.00 -1.88 -0.16 0.00 0.31 0.00 0.00 61.69 59.96 3it3 s THR 35 Cb 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3it3 s THR 35 CO 0.00 -0.84 1.15 -1.61 -0.69 0.00 0.00 174.62 172.63 3it3 s GLU 36 N -3.91 2.68 0.21 4.92 0.41 -1.26 -4.92 118.70 116.82 3it3 s GLU 36 Ca 0.12 1.56 -0.32 0.00 -0.41 0.00 0.00 54.97 55.92 3it3 s GLU 36 Cb 0.07 -1.92 -0.15 0.00 -1.78 0.00 0.00 34.13 30.35 3it3 s GLU 36 CO -0.05 -1.38 1.18 1.28 -0.49 0.00 0.00 175.26 175.80 3it3 n LEU 37 N -2.32 1.86 0.00 1.80 4.77 -1.26 -1.76 117.00 120.08 3it3 n LEU 37 Ca 0.12 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3it3 n LEU 37 Cb 0.51 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3it3 n LEU 37 CO 0.47 -1.18 0.00 -1.54 -1.33 0.00 0.00 177.39 173.81 3it3 n SER 38 N 1.89 0.00 -4.85 -1.43 3.41 0.27 -4.95 113.62 107.97 3it3 n SER 38 Ca 0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.42 3it3 n SER 38 Cb 0.27 -1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 3it3 n SER 38 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3it3 s GLU 39 N -0.39 4.00 0.19 4.33 0.41 -0.73 -4.60 118.70 121.93 3it3 s GLU 39 Ca 0.00 0.78 -0.31 0.00 -0.41 0.00 0.00 54.97 55.03 3it3 s GLU 39 Cb 0.00 -2.31 -0.10 0.00 -1.78 0.00 0.00 34.13 29.94 3it3 s GLU 39 CO 0.00 0.00 1.46 -1.17 -0.49 0.00 0.00 175.26 175.07 3it3 s LEU 40 N -3.38 4.38 0.62 1.80 2.96 -1.26 -1.56 118.68 122.24 3it3 s LEU 40 Ca 0.56 2.57 -0.04 0.00 -0.22 0.00 0.00 54.13 57.00 3it3 s LEU 40 Cb -0.10 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.02 3it3 s LEU 40 CO 0.21 -0.72 0.91 0.42 -1.32 0.00 0.00 176.35 175.86 3it3 s THR 41 N 0.58 2.87 0.31 3.68 -4.23 -0.58 -4.90 115.64 113.38 3it3 s THR 41 Ca 0.64 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 3it3 s THR 41 Cb -0.41 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.55 3it3 s THR 41 CO 0.37 -0.16 1.88 -0.65 -0.54 0.00 0.00 174.62 175.52 3it3 h PRO 42 N -0.28 0.90 -0.38 3.99 0.11 -1.96 -0.66 132.00 133.73 3it3 h PRO 42 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3it3 h PRO 42 Cb 1.29 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3it3 h PRO 42 CO 0.59 0.60 -0.09 0.97 -0.21 0.00 0.00 178.00 179.86 3it3 h ILE 43 N 0.93 1.24 -0.76 4.15 6.09 -1.94 -1.40 117.51 125.81 3it3 h ILE 43 Ca 0.43 -1.05 -0.05 0.00 -1.37 0.00 0.00 64.86 62.82 3it3 h ILE 43 Cb 0.40 1.05 -0.03 0.00 0.47 0.00 0.00 36.82 38.70 3it3 h ILE 43 CO -0.19 0.36 0.29 1.23 -3.07 0.00 0.00 178.15 176.76 3it3 h GLY 44 N 0.95 1.23 1.00 8.18 0.00 -1.34 0.55 103.07 113.64 3it3 h GLY 44 Ca 0.11 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3it3 h GLY 44 CO 0.03 0.64 0.37 -0.33 0.00 0.00 0.00 176.54 177.24 3it3 h MET 45 N 1.11 0.81 -0.74 4.80 2.86 -0.78 -2.30 114.93 120.69 3it3 h MET 45 Ca 0.25 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3it3 h MET 45 Cb 0.23 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3it3 h MET 45 CO -0.02 0.58 0.26 -0.97 1.06 0.00 0.00 176.91 177.82 3it3 h ASN 46 N 0.81 1.06 -0.62 1.22 -0.73 -0.70 -0.46 115.58 116.15 3it3 h ASN 46 Ca 0.22 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 3it3 h ASN 46 Cb -0.03 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 3it3 h ASN 46 CO -0.04 0.96 0.28 1.56 -0.37 0.00 0.00 177.43 179.82 3it3 h GLN 47 N 1.10 0.91 -0.26 6.67 4.20 -0.67 -0.54 115.11 126.51 3it3 h GLN 47 Ca 0.24 -0.14 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 3it3 h GLN 47 Cb 0.27 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3it3 h GLN 47 CO -0.01 0.74 -0.59 0.93 -0.67 0.00 0.00 178.83 179.24 3it3 h GLU 48 N 0.86 0.86 -0.42 1.46 4.39 -1.19 -1.56 114.58 118.99 3it3 h GLU 48 Ca 0.21 -0.58 0.04 0.00 0.34 0.00 0.00 59.36 59.37 3it3 h GLU 48 Cb 0.15 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3it3 h GLU 48 CO -0.02 1.20 0.20 -0.92 -1.16 0.00 0.00 179.01 178.31 3it3 h TYR 49 N 0.64 0.37 -0.58 4.33 3.20 -0.92 0.13 116.97 124.12 3it3 h TYR 49 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3it3 h TYR 49 Cb 1.20 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3it3 h TYR 49 CO 0.08 0.18 0.16 -0.91 -1.64 0.00 0.00 178.16 176.02 3it3 h ASN 50 N 0.40 0.83 -0.66 -2.11 2.35 -1.03 -1.00 115.58 114.36 3it3 h ASN 50 Ca 0.18 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3it3 h ASN 50 Cb 0.10 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3it3 h ASN 50 CO -0.14 0.80 0.34 0.25 -1.65 0.00 0.00 177.43 177.04 3it3 h LEU 51 N 0.86 0.84 -0.64 1.61 5.85 -0.80 -1.34 115.31 121.69 3it3 h LEU 51 Ca 0.19 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3it3 h LEU 51 Cb 0.29 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3it3 h LEU 51 CO -0.00 0.72 0.30 1.23 -0.34 0.00 0.00 178.44 180.35 3it3 h GLY 52 N 0.91 0.92 1.04 3.75 0.00 -0.28 0.80 103.07 110.21 3it3 h GLY 52 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3it3 h GLY 52 CO -0.03 0.06 0.49 1.41 0.00 0.00 0.00 176.54 178.47 3it3 h LEU 53 N 0.54 1.13 -0.64 3.11 3.38 -0.75 -0.26 115.31 121.82 3it3 h LEU 53 Ca 0.31 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3it3 h LEU 53 Cb 0.30 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3it3 h LEU 53 CO -0.24 0.91 0.14 1.56 0.09 0.00 0.00 178.44 180.89 3it3 h GLN 54 N 1.26 1.04 -0.13 1.13 4.20 -0.47 -1.89 115.11 120.26 3it3 h GLN 54 Ca 0.32 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3it3 h GLN 54 Cb 0.03 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3it3 h GLN 54 CO -0.05 0.95 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.66 3it3 h LEU 55 N 0.96 0.26 -0.34 1.46 3.38 -0.45 -1.51 115.31 119.07 3it3 h LEU 55 Ca 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3it3 h LEU 55 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3it3 h LEU 55 CO 0.01 0.59 0.07 -0.09 0.09 0.00 0.00 178.44 179.10 3it3 h ARG 56 N 0.22 0.56 -0.28 1.13 2.43 -0.73 0.17 114.38 117.88 3it3 h ARG 56 Ca 0.03 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3it3 h ARG 56 Cb 0.70 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3it3 h ARG 56 CO 0.05 0.63 0.07 0.87 -1.51 0.00 0.00 179.97 180.08 3it3 h LYS 57 N 0.40 0.40 0.00 0.20 1.57 -0.99 -0.65 116.57 117.51 3it3 h LYS 57 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3it3 h LYS 57 Cb 0.33 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3it3 h LYS 57 CO 0.00 0.38 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.04 3it3 h ARG 58 N 0.40 0.00 0.00 3.15 2.43 -1.05 -0.99 114.38 118.32 3it3 h ARG 58 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3it3 h ARG 58 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3it3 h ARG 58 CO -0.00 0.18 -0.82 0.66 -1.51 0.00 0.00 179.97 178.48 3it3 n TYR 59 N -4.72 0.48 -0.07 2.20 4.01 0.59 -1.39 117.16 118.26 3it3 n TYR 59 Ca -0.04 0.14 -0.07 0.00 -0.16 0.00 0.00 57.90 57.77 3it3 n TYR 59 Cb 0.14 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 38.54 3it3 n TYR 59 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3it3 n ILE 60 N -2.11 1.25 -0.02 -0.72 5.41 -0.63 -1.18 119.36 121.36 3it3 n ILE 60 Ca 0.02 0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.85 3it3 n ILE 60 Cb 0.45 -2.19 -0.08 0.00 -0.71 0.00 0.00 39.64 37.11 3it3 n ILE 60 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3it3 h ASP 61 N -0.81 0.13 0.00 4.38 3.32 -1.16 -2.12 116.42 120.15 3it3 h ASP 61 Ca 0.00 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3it3 h ASP 61 Cb 0.81 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3it3 h ASP 61 CO 0.00 0.49 -0.03 0.50 -1.72 0.00 0.00 179.24 178.48 3it3 h LYS 62 N -0.23 0.00 0.00 3.56 3.64 -1.09 -3.39 116.57 119.06 3it3 h LYS 62 Ca 0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3it3 h LYS 62 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3it3 h LYS 62 CO 0.01 0.41 -1.12 0.74 -2.27 0.00 0.00 179.45 177.22 3it3 h PHE 63 N -1.00 0.00 -1.52 1.91 0.04 -1.41 -3.48 116.94 111.48 3it3 h PHE 63 Ca -0.01 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.40 3it3 h PHE 63 Cb 0.43 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.49 3it3 h PHE 63 CO 0.11 0.37 -0.38 0.41 -0.60 0.00 0.00 178.31 178.22 3it3 n GLY 64 N 1.30 0.90 0.15 -1.45 0.00 -0.80 -4.83 105.19 100.46 3it3 n GLY 64 Ca -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3it3 n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3it3 h LEU 65 N 0.00 0.39 -9.61 0.99 5.85 -1.38 -3.44 115.31 108.11 3it3 h LEU 65 Ca -0.39 -0.14 -0.62 0.00 0.84 0.00 0.00 57.88 57.57 3it3 h LEU 65 Cb 1.22 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 3it3 h LEU 65 CO 0.52 0.42 -0.61 -0.76 -0.34 0.00 0.00 178.44 177.66 3it3 s LEU 66 N -9.87 3.67 0.71 2.25 1.43 -0.86 -5.04 118.68 110.96 3it3 s LEU 66 Ca -0.13 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3it3 s LEU 66 Cb 0.09 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 44.01 3it3 s LEU 66 CO 0.72 0.14 1.05 -2.16 0.23 0.00 0.00 176.35 176.33 3it3 s PRO 67 N -2.58 2.44 0.37 1.29 0.04 -1.26 -4.41 135.00 130.88 3it3 s PRO 67 Ca 0.28 0.04 0.18 0.00 0.04 0.00 0.00 61.00 61.55 3it3 s PRO 67 Cb -0.11 -2.11 0.66 0.00 0.04 0.00 0.00 34.50 32.98 3it3 s PRO 67 CO 0.21 -1.17 1.73 0.93 0.04 0.00 0.00 177.00 178.74 3it3 h GLU 68 N -0.63 0.00 -5.66 4.56 5.08 -1.98 -3.42 114.58 112.53 3it3 h GLU 68 Ca -0.45 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.24 3it3 h GLU 68 Cb 1.29 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.28 3it3 h GLU 68 CO 0.63 0.38 -0.78 -1.01 -1.00 0.00 0.00 179.01 177.23 3it3 s HIS 69 N -3.61 2.75 0.24 4.33 3.76 -1.26 -4.92 115.29 116.58 3it3 s HIS 69 Ca 0.00 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 3it3 s HIS 69 Cb 0.11 -1.76 -0.12 0.00 1.11 0.00 0.00 32.58 31.92 3it3 s HIS 69 CO 0.69 -0.09 1.65 -0.47 -0.85 0.00 0.00 174.74 175.67 3it3 s TYR 70 N -0.01 2.86 -0.24 1.40 5.04 -1.26 -4.98 117.35 120.15 3it3 s TYR 70 Ca -0.04 0.55 -0.12 0.00 -2.44 0.00 0.00 57.07 55.02 3it3 s TYR 70 Cb -0.14 -4.09 -0.05 0.00 0.35 0.00 0.00 41.96 38.03 3it3 s TYR 70 CO 0.04 -3.93 0.22 0.08 -1.34 0.00 0.00 175.55 170.62 3it3 s VAL 71 N 0.68 5.31 0.36 3.14 1.01 -1.26 -5.05 120.40 124.58 3it3 s VAL 71 Ca 0.70 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 3it3 s VAL 71 Cb -0.48 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 3it3 s VAL 71 CO 0.39 0.30 1.53 -1.81 0.00 0.00 0.00 175.10 175.50 3it3 s ASP 72 N 1.23 6.32 -0.57 3.32 1.01 -1.26 -1.64 116.67 125.08 3it3 s ASP 72 Ca 0.10 3.05 0.00 0.00 0.71 0.00 0.00 52.55 56.41 3it3 s ASP 72 Cb -0.14 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.13 3it3 s ASP 72 CO 0.07 -0.91 0.00 0.00 0.21 0.00 0.00 175.17 174.54 3it3 n GLN 73 N 0.91 -0.72 0.06 8.23 6.02 -1.26 -4.90 117.38 125.71 3it3 n GLN 73 Ca 0.03 0.57 0.01 0.00 -0.01 0.00 0.00 57.00 57.61 3it3 n GLN 73 Cb 0.38 -4.36 -0.06 0.00 1.02 0.00 0.00 30.24 27.23 3it3 n GLN 73 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3it3 h SER 74 N 0.00 0.00 -3.42 1.08 4.64 -1.63 -3.39 113.55 110.83 3it3 h SER 74 Ca -0.11 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.69 3it3 h SER 74 Cb 0.52 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.28 3it3 h SER 74 CO 0.16 0.51 -0.82 -0.63 -0.87 0.00 0.00 176.83 175.18 3it3 s ILE 75 N -2.97 1.19 -0.26 0.95 1.01 -1.26 -0.18 121.20 119.68 3it3 s ILE 75 Ca -0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 3it3 s ILE 75 Cb 0.09 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3it3 s ILE 75 CO 0.80 0.37 0.15 -0.47 0.00 0.00 0.00 174.94 175.79 3it3 s TYR 76 N 0.63 3.21 -0.16 3.97 5.04 -0.36 -4.93 117.35 124.76 3it3 s TYR 76 Ca -0.15 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.51 3it3 s TYR 76 Cb -0.16 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.83 3it3 s TYR 76 CO 0.04 -0.16 -0.17 0.08 -1.34 0.00 0.00 175.55 174.01 3it3 s VAL 77 N 1.56 2.49 -0.09 3.14 1.01 -1.26 -0.29 120.40 126.97 3it3 s VAL 77 Ca 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3it3 s VAL 77 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3it3 s VAL 77 CO 0.08 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 175.37 3it3 s LEU 78 N 0.91 1.52 0.17 3.92 2.96 -0.14 -1.39 118.68 126.64 3it3 s LEU 78 Ca -0.04 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3it3 s LEU 78 Cb -0.15 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3it3 s LEU 78 CO -0.02 -0.02 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.33 3it3 s SER 79 N 1.03 4.18 0.99 3.68 0.15 0.25 -0.88 113.70 123.09 3it3 s SER 79 Ca -0.07 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 3it3 s SER 79 Cb -0.15 -0.68 0.18 0.00 -1.71 0.00 0.00 66.02 63.66 3it3 s SER 79 CO -0.01 0.11 1.09 -0.94 1.20 0.00 0.00 173.24 174.69 3it3 s SER 80 N -2.74 2.51 -1.46 5.45 1.04 -1.01 -1.24 113.70 116.25 3it3 s SER 80 Ca 0.24 1.71 -0.09 0.00 0.48 0.00 0.00 55.95 58.29 3it3 s SER 80 Cb -0.09 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.73 3it3 s SER 80 CO 0.14 -3.28 2.51 1.57 0.98 0.00 0.00 173.24 175.17 3it3 n HIS 81 N -4.32 2.72 -4.06 5.02 -0.00 -1.26 -4.57 115.22 108.75 3it3 n HIS 81 Ca 0.07 -2.95 -0.12 0.00 0.46 0.00 0.00 57.72 55.18 3it3 n HIS 81 Cb 0.54 -2.21 -0.11 0.00 -0.12 0.00 0.00 29.99 28.08 3it3 n HIS 81 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 3it3 s THR 82 N 1.00 0.47 0.17 3.57 -4.23 -1.26 -4.78 115.64 110.58 3it3 s THR 82 Ca 0.57 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.80 3it3 s THR 82 Cb 0.16 -0.68 0.08 0.00 1.34 0.00 0.00 72.50 73.40 3it3 s THR 82 CO -0.07 -0.47 1.78 0.78 -0.54 0.00 0.00 174.62 176.11 3it3 h ASN 83 N 4.33 0.74 -0.37 3.99 2.35 -1.92 -2.44 115.58 122.25 3it3 h ASN 83 Ca -0.35 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 3it3 h ASN 83 Cb 1.20 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 3it3 h ASN 83 CO 0.44 0.63 0.07 0.08 -1.65 0.00 0.00 177.43 177.00 3it3 h ARG 84 N 0.79 0.70 0.02 0.81 0.11 -1.95 0.18 114.38 115.04 3it3 h ARG 84 Ca 0.21 -0.15 -0.22 0.00 0.10 0.00 0.00 59.98 59.92 3it3 h ARG 84 Cb 0.06 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 3it3 h ARG 84 CO -0.03 0.67 -0.96 1.79 0.10 0.00 0.00 179.97 181.53 3it3 h THR 85 N 0.67 1.45 -0.12 0.08 1.35 -1.85 -0.90 112.91 113.58 3it3 h THR 85 Ca 0.15 -2.59 -0.04 0.00 -0.55 0.00 0.00 66.41 63.38 3it3 h THR 85 Cb 0.31 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3it3 h THR 85 CO 0.00 0.76 -0.07 0.58 -0.25 0.00 0.00 175.52 176.55 3it3 h VAL 86 N 0.17 1.33 -0.24 6.82 2.07 -1.06 -1.68 116.25 123.66 3it3 h VAL 86 Ca -0.07 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3it3 h VAL 86 Cb 1.61 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 3it3 h VAL 86 CO 0.16 0.33 -0.14 0.58 0.02 0.00 0.00 177.57 178.52 3it3 h VAL 87 N -0.10 1.22 -0.39 2.57 2.07 -1.04 -0.63 116.25 119.95 3it3 h VAL 87 Ca 0.03 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3it3 h VAL 87 Cb 0.55 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3it3 h VAL 87 CO 0.02 0.31 0.08 0.28 0.02 0.00 0.00 177.57 178.28 3it3 h SER 88 N 0.37 0.60 -0.46 0.57 0.02 -1.07 -0.24 113.55 113.35 3it3 h SER 88 Ca 0.07 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3it3 h SER 88 Cb 0.46 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3it3 h SER 88 CO 0.03 0.69 0.25 0.00 -1.14 0.00 0.00 176.83 176.66 3it3 h ALA 89 N 0.93 0.58 -0.37 3.77 0.00 -0.83 -0.02 119.26 123.34 3it3 h ALA 89 Ca 0.12 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3it3 h ALA 89 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3it3 h ALA 89 CO 0.00 0.10 0.15 1.96 0.00 0.00 0.00 179.25 181.47 3it3 h GLN 90 N 0.60 0.31 -0.36 0.00 4.20 -0.95 -0.22 115.11 118.68 3it3 h GLN 90 Ca 0.16 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3it3 h GLN 90 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3it3 h GLN 90 CO -0.03 0.20 0.08 0.77 -0.67 0.00 0.00 178.83 179.19 3it3 h SER 91 N 0.32 0.55 -0.51 1.46 0.02 -0.75 -1.05 113.55 113.58 3it3 h SER 91 Ca 0.16 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3it3 h SER 91 Cb 0.11 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3it3 h SER 91 CO -0.15 0.64 0.24 0.25 -1.14 0.00 0.00 176.83 176.68 3it3 h LEU 92 N 0.43 0.32 -1.62 5.07 6.46 -0.79 -2.19 115.31 122.98 3it3 h LEU 92 Ca 0.11 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3it3 h LEU 92 Cb 0.31 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3it3 h LEU 92 CO 0.00 0.22 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.81 3it3 h LEU 93 N 0.46 0.00 -1.66 2.25 3.38 -0.56 0.24 115.31 119.42 3it3 h LEU 93 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3it3 h LEU 93 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3it3 h LEU 93 CO -0.18 0.17 -0.01 0.24 0.09 0.00 0.00 178.44 178.74 3it3 h MET 94 N 0.00 0.00 0.09 1.13 2.86 -0.56 -0.75 114.93 117.70 3it3 h MET 94 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 3it3 h MET 94 Cb 0.49 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3it3 h MET 94 CO 0.02 0.01 -2.07 0.41 1.06 0.00 0.00 176.91 176.34 3it3 n GLY 95 N -0.12 -0.57 0.29 8.32 0.00 -0.10 -3.52 105.19 109.48 3it3 n GLY 95 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3it3 n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3it3 h LEU 96 N 0.05 0.99 -6.87 0.99 5.85 -0.94 -3.29 115.31 112.09 3it3 h LEU 96 Ca -0.44 -0.31 -0.61 0.00 0.84 0.00 0.00 57.88 57.36 3it3 h LEU 96 Cb 2.01 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 42.38 3it3 h LEU 96 CO 0.05 1.05 -0.74 -0.31 -0.34 0.00 0.00 178.44 178.16 3it3 s TYR 97 N -5.03 2.35 0.80 1.25 2.02 -0.30 -4.71 117.35 113.73 3it3 s TYR 97 Ca -0.12 -2.75 -0.11 0.00 -0.37 0.00 0.00 57.07 53.71 3it3 s TYR 97 Cb 0.13 -1.95 0.07 0.00 -0.40 0.00 0.00 41.96 39.81 3it3 s TYR 97 CO 0.85 -0.71 1.10 -1.25 -1.57 0.00 0.00 175.55 173.96 3it3 s PRO 98 N -0.39 2.07 0.27 -1.71 0.04 -1.23 -4.48 135.00 129.56 3it3 s PRO 98 Ca 0.24 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 3it3 s PRO 98 Cb -0.10 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 3it3 s PRO 98 CO -0.11 -1.63 1.09 0.00 0.04 0.00 0.00 177.00 176.39 3it3 n ALA 99 N -3.44 -0.10 0.00 8.56 0.00 -1.26 -1.45 120.51 122.81 3it3 n ALA 99 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3it3 n ALA 99 Cb 0.56 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3it3 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it3 n GLY 100 N 1.41 2.99 0.08 0.00 0.00 -0.41 -4.90 105.19 104.37 3it3 n GLY 100 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3it3 n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3it3 n THR 101 N -1.66 0.00 -1.18 2.61 -2.24 -0.53 -4.96 114.28 106.32 3it3 n THR 101 Ca 0.00 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 3it3 n THR 101 Cb 0.00 1.04 0.18 0.00 -2.10 0.00 0.00 70.33 69.45 3it3 n THR 101 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3it3 s GLY 102 N -2.39 1.56 0.67 3.38 0.00 0.12 -4.58 107.32 106.08 3it3 s GLY 102 Ca 0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.20 3it3 s GLY 102 CO 0.61 0.19 1.11 -4.14 0.00 0.00 0.00 173.10 170.87 3it3 s PRO 103 N -5.03 2.71 0.15 2.90 0.02 -1.26 -4.88 135.00 129.61 3it3 s PRO 103 Ca 0.66 1.38 0.06 0.00 0.02 0.00 0.00 61.00 63.13 3it3 s PRO 103 Cb -0.18 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3it3 s PRO 103 CO 0.57 -1.32 0.00 -0.51 -0.33 0.00 0.00 177.00 175.42 3it3 s LEU 104 N -4.99 3.37 -0.04 -5.54 1.43 -1.26 -1.29 118.68 110.36 3it3 s LEU 104 Ca 0.67 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 3it3 s LEU 104 Cb -0.20 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 43.85 3it3 s LEU 104 CO 0.43 0.12 0.11 2.30 0.23 0.00 0.00 176.35 179.54 3it3 n ILE 105 N 0.10 0.25 -1.98 -0.59 -5.35 -1.26 -4.74 119.36 105.79 3it3 n ILE 105 Ca -0.10 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3it3 n ILE 105 Cb 0.54 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 3it3 n ILE 105 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3it3 n ASP 109 N -2.02 -9.51 -4.76 7.28 10.43 -1.26 -4.95 116.55 111.76 3it3 n ASP 109 Ca -0.07 1.41 -0.41 0.00 2.57 0.00 0.00 54.79 58.29 3it3 n ASP 109 Cb 0.47 -5.24 -0.03 0.00 1.84 0.00 0.00 41.12 38.16 3it3 n ASP 109 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3it3 s PRO 110 N -1.70 4.42 0.27 -0.24 0.04 -1.26 -4.93 135.00 131.60 3it3 s PRO 110 Ca 0.00 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 3it3 s PRO 110 Cb 0.00 -3.12 0.35 0.00 0.04 0.00 0.00 34.50 31.77 3it3 s PRO 110 CO 0.00 -0.12 1.90 0.00 0.04 0.00 0.00 177.00 178.83 3it3 h ALA 111 N 3.83 1.29 -3.97 8.56 0.00 -1.48 -3.42 119.26 124.07 3it3 h ALA 111 Ca -0.48 -0.11 -0.43 0.00 0.00 0.00 0.00 54.91 53.90 3it3 h ALA 111 Cb 1.22 -0.33 -0.27 0.00 0.00 0.00 0.00 17.79 18.41 3it3 h ALA 111 CO 0.68 0.59 -0.79 0.42 0.00 0.00 0.00 179.25 180.15 3it3 s ILE 112 N -5.78 0.93 0.40 0.00 1.01 -1.26 -5.04 121.20 111.46 3it3 s ILE 112 Ca -0.12 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 3it3 s ILE 112 Cb 0.17 -0.80 -0.11 0.00 0.01 0.00 0.00 42.46 41.73 3it3 s ILE 112 CO 0.81 0.15 1.04 1.17 0.00 0.00 0.00 174.94 178.11 3it3 n LYS 113 N 2.50 1.42 -1.03 2.79 4.81 -1.26 -0.75 118.16 126.64 3it3 n LYS 113 Ca -0.15 0.51 -0.01 0.00 -0.87 0.00 0.00 58.31 57.78 3it3 n LYS 113 Cb 0.56 -2.06 -0.00 0.00 0.02 0.00 0.00 35.03 33.55 3it3 n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3it3 n ASP 114 N 0.57 -4.54 -3.84 3.14 8.00 -1.26 -3.53 116.55 115.09 3it3 n ASP 114 Ca 0.09 0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.37 3it3 n ASP 114 Cb 0.38 -2.13 0.01 0.00 -0.02 0.00 0.00 41.12 39.36 3it3 n ASP 114 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3it3 n ARG 115 N -1.09 -4.40 -1.83 -1.24 1.74 0.07 -1.29 116.66 108.64 3it3 n ARG 115 Ca -0.01 0.53 -0.36 0.00 -0.77 0.00 0.00 57.85 57.24 3it3 n ARG 115 Cb 0.27 -5.01 0.06 0.00 -1.02 0.00 0.00 32.46 26.75 3it3 n ARG 115 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3it3 s PHE 116 N -3.69 2.21 -0.34 -1.55 0.08 -1.23 -0.70 117.98 112.76 3it3 s PHE 116 Ca 0.14 1.51 -0.00 0.00 0.12 0.00 0.00 56.93 58.70 3it3 s PHE 116 Cb -0.07 -3.58 0.08 0.00 -0.57 0.00 0.00 43.02 38.89 3it3 s PHE 116 CO 0.85 -2.58 0.07 -1.14 -0.10 0.00 0.00 175.22 172.31 3it3 s GLN 117 N -3.42 2.01 0.21 0.44 2.00 -1.26 -4.24 119.66 115.40 3it3 s GLN 117 Ca 0.79 -1.63 -0.30 0.00 -2.00 0.00 0.00 55.36 52.23 3it3 s GLN 117 Cb -0.33 -3.29 -0.09 0.00 0.80 0.00 0.00 33.01 30.10 3it3 s GLN 117 CO 0.37 -0.85 1.26 -2.14 -0.50 0.00 0.00 175.29 173.43 3it3 s PRO 118 N 1.10 4.44 -0.07 1.67 0.02 -1.26 -4.92 135.00 135.97 3it3 s PRO 118 Ca 0.03 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.04 3it3 s PRO 118 Cb -0.21 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.14 3it3 s PRO 118 CO -0.04 -0.17 -0.04 0.42 -0.33 0.00 0.00 177.00 176.84 3it3 s ILE 119 N -0.10 0.62 0.35 2.83 1.01 -1.26 -5.11 121.20 119.54 3it3 s ILE 119 Ca 0.54 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 3it3 s ILE 119 Cb -0.35 -0.69 -0.10 0.00 0.01 0.00 0.00 42.46 41.33 3it3 s ILE 119 CO 0.39 0.28 1.28 -2.16 0.00 0.00 0.00 174.94 174.73 3it3 s PRO 120 N 1.50 4.24 -0.16 2.79 0.04 -1.26 -5.02 135.00 137.14 3it3 s PRO 120 Ca -0.01 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.18 3it3 s PRO 120 Cb -0.13 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.47 3it3 s PRO 120 CO -0.04 -0.26 -0.17 0.42 0.04 0.00 0.00 177.00 177.00 3it3 s ILE 121 N -1.20 1.77 0.27 0.56 1.01 -1.26 -4.30 121.20 118.05 3it3 s ILE 121 Ca 0.51 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3it3 s ILE 121 Cb -0.38 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3it3 s ILE 121 CO 0.50 0.49 0.53 -0.04 0.00 0.00 0.00 174.94 176.42 3it3 s MET 122 N 1.33 3.63 0.03 2.79 -1.94 -0.48 -4.97 119.30 119.70 3it3 s MET 122 Ca 0.03 -0.01 0.09 0.00 -1.71 0.00 0.00 55.69 54.08 3it3 s MET 122 Cb -0.13 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 3it3 s MET 122 CO -0.10 0.25 -0.25 0.95 -0.01 0.00 0.00 175.02 175.85 3it3 s THR 123 N -2.03 2.24 1.05 2.05 -4.23 -1.26 -0.59 115.64 112.87 3it3 s THR 123 Ca 0.43 -1.32 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 3it3 s THR 123 Cb -0.11 -1.87 0.22 0.00 1.34 0.00 0.00 72.50 72.08 3it3 s THR 123 CO 0.29 0.39 1.07 -0.76 -0.54 0.00 0.00 174.62 175.08 3it3 s LEU 124 N -1.18 1.35 0.69 4.79 1.43 -0.38 -4.93 118.68 120.45 3it3 s LEU 124 Ca 0.12 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 3it3 s LEU 124 Cb -0.10 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3it3 s LEU 124 CO 0.02 -3.49 1.06 -0.94 0.23 0.00 0.00 176.35 173.22 3it3 s SER 125 N -3.15 5.51 0.54 2.29 1.04 -1.26 -4.07 113.70 114.61 3it3 s SER 125 Ca 0.66 1.50 0.23 0.00 0.48 0.00 0.00 55.95 58.83 3it3 s SER 125 Cb -0.21 -2.41 1.51 0.00 0.10 0.00 0.00 66.02 65.01 3it3 s SER 125 CO 0.60 -1.34 2.17 0.00 0.98 0.00 0.00 173.24 175.64 3it3 h ALA 126 N -0.65 1.65 -0.00 5.32 0.00 -1.97 -2.19 119.26 121.43 3it3 h ALA 126 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3it3 h ALA 126 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3it3 h ALA 126 CO 0.59 0.05 -0.10 -0.25 0.00 0.00 0.00 179.25 179.54 3it3 n ASP 127 N -4.08 0.12 -4.77 0.00 8.00 -1.26 -4.73 116.55 109.83 3it3 n ASP 127 Ca -0.03 0.25 -0.39 0.00 0.71 0.00 0.00 54.79 55.33 3it3 n ASP 127 Cb 0.13 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3it3 n ASP 127 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3it3 s SER 128 N -2.94 6.22 0.00 -2.24 0.15 -0.82 -4.86 113.70 109.20 3it3 s SER 128 Ca 0.15 2.68 0.18 0.00 0.70 0.00 0.00 55.95 59.66 3it3 s SER 128 Cb 0.19 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.34 3it3 s SER 128 CO 0.56 -0.92 1.40 0.54 1.20 0.00 0.00 173.24 176.02 3it3 n ARG 129 N 0.02 2.70 -0.01 5.44 3.00 -1.26 -4.44 116.66 122.11 3it3 n ARG 129 Ca 0.04 -2.36 -0.13 0.00 -0.01 0.00 0.00 57.85 55.40 3it3 n ARG 129 Cb 0.44 -1.44 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 3it3 n ARG 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3it3 h LEU 130 N 3.39 0.03 0.03 0.55 5.85 -1.91 -3.38 115.31 119.86 3it3 h LEU 130 Ca 0.00 -0.46 -0.38 0.00 0.84 0.00 0.00 57.88 57.87 3it3 h LEU 130 Cb 0.88 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3it3 h LEU 130 CO 0.00 0.49 -2.35 -0.38 -0.34 0.00 0.00 178.44 175.86 3it3 n ILE 131 N -4.84 1.56 -3.85 4.05 5.41 -1.26 -4.34 119.36 116.08 3it3 n ILE 131 Ca -0.08 -0.61 -0.12 0.00 1.00 0.00 0.00 62.75 62.93 3it3 n ILE 131 Cb 0.25 -1.43 -0.13 0.00 -0.71 0.00 0.00 39.64 37.62 3it3 n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3it3 s GLN 132 N -2.53 0.12 0.29 0.38 -2.07 -1.26 -4.15 119.66 110.44 3it3 s GLN 132 Ca -0.30 0.07 -0.29 0.00 -1.82 0.00 0.00 55.36 53.02 3it3 s GLN 132 Cb 0.08 0.06 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 3it3 s GLN 132 CO 0.66 -0.02 1.37 -0.06 -1.32 0.00 0.00 175.29 175.92 3it3 s PHE 133 N -0.08 3.03 0.35 9.60 0.40 -1.26 -4.25 117.98 125.78 3it3 s PHE 133 Ca -0.01 1.23 -0.26 0.00 -0.60 0.00 0.00 56.93 57.29 3it3 s PHE 133 Cb -0.01 -3.75 -0.12 0.00 0.51 0.00 0.00 43.02 39.65 3it3 s PHE 133 CO 0.00 -2.24 0.99 -2.30 0.70 0.00 0.00 175.22 172.37 3it3 n PRO 134 N 1.56 1.33 -0.19 0.24 -0.02 -1.26 -4.61 135.00 132.05 3it3 n PRO 134 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3it3 n PRO 134 Cb 0.41 -1.92 0.10 0.00 -0.02 0.00 0.00 33.50 32.08 3it3 n PRO 134 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3it3 h TYR 135 N 1.75 0.19 -0.01 6.00 -0.00 -1.96 -0.06 116.97 122.87 3it3 h TYR 135 Ca -0.42 0.04 -0.09 0.00 -0.00 0.00 0.00 58.73 58.26 3it3 h TYR 135 Cb 1.34 0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 38.07 3it3 h TYR 135 CO 0.45 -0.03 -0.40 0.93 -0.00 0.00 0.00 178.16 179.11 3it3 h GLU 136 N 0.25 0.02 -0.20 1.82 4.39 -1.99 -0.71 114.58 118.16 3it3 h GLU 136 Ca 0.31 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.83 3it3 h GLU 136 Cb 0.46 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3it3 h GLU 136 CO -0.40 0.42 -0.56 1.96 -1.16 0.00 0.00 179.01 179.27 3it3 h GLN 137 N 0.02 0.60 0.00 2.33 4.20 -1.41 -1.78 115.11 119.08 3it3 h GLN 137 Ca -0.00 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 3it3 h GLN 137 Cb 0.72 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3it3 h GLN 137 CO 0.05 1.00 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.29 3it3 h TYR 138 N 0.46 -0.01 -0.42 2.96 3.20 -0.67 -1.98 116.97 120.52 3it3 h TYR 138 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3it3 h TYR 138 Cb 1.12 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 3it3 h TYR 138 CO 0.05 0.08 0.24 -0.07 -1.64 0.00 0.00 178.16 176.82 3it3 h LEU 139 N -0.09 0.50 -0.85 2.82 3.38 -1.11 -1.76 115.31 118.21 3it3 h LEU 139 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3it3 h LEU 139 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3it3 h LEU 139 CO 0.00 0.40 -0.05 0.00 0.09 0.00 0.00 178.44 178.88 3it3 h ALA 140 N 1.68 1.03 -0.58 1.53 0.00 -1.00 0.01 119.26 121.93 3it3 h ALA 140 Ca 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3it3 h ALA 140 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3it3 h ALA 140 CO -0.03 0.59 0.23 0.28 0.00 0.00 0.00 179.25 180.32 3it3 h VAL 141 N 0.74 1.23 -0.62 0.00 2.07 -0.68 -2.44 116.25 116.55 3it3 h VAL 141 Ca 0.14 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3it3 h VAL 141 Cb 0.52 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3it3 h VAL 141 CO 0.03 0.28 0.27 -0.07 0.02 0.00 0.00 177.57 178.10 3it3 h LEU 142 N 0.81 0.83 -0.89 2.57 3.38 -0.75 -0.57 115.31 120.69 3it3 h LEU 142 Ca 0.19 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3it3 h LEU 142 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3it3 h LEU 142 CO -0.01 0.75 0.59 0.11 0.09 0.00 0.00 178.44 179.97 3it3 h LYS 143 N 0.86 1.17 0.02 1.13 6.56 -0.87 0.16 116.57 125.60 3it3 h LYS 143 Ca 0.21 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.57 3it3 h LYS 143 Cb 0.16 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 31.57 3it3 h LYS 143 CO -0.02 0.77 -0.63 -0.22 -2.06 0.00 0.00 179.45 177.29 3it3 h LYS 144 N 1.20 0.39 0.00 3.15 3.64 -1.14 -3.38 116.57 120.43 3it3 h LYS 144 Ca 0.33 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 3it3 h LYS 144 Cb -0.13 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3it3 h LYS 144 CO -0.07 1.12 -1.67 0.66 -2.27 0.00 0.00 179.45 177.22 3it3 n TYR 145 N -4.21 0.00 -0.06 1.91 4.01 -0.25 -4.82 117.16 113.75 3it3 n TYR 145 Ca -0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.51 3it3 n TYR 145 Cb 0.70 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3it3 n TYR 145 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3it3 n VAL 146 N -2.09 0.70 0.26 -0.72 0.31 0.35 -4.52 118.33 112.62 3it3 n VAL 146 Ca -0.07 -0.21 0.11 0.00 -0.01 0.00 0.00 64.34 64.16 3it3 n VAL 146 Cb 0.49 -1.45 0.70 0.00 -0.91 0.00 0.00 33.84 32.67 3it3 n VAL 146 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3it3 h TYR 147 N -0.32 0.00 -0.22 3.52 0.05 -1.13 -1.60 116.97 117.27 3it3 h TYR 147 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 3it3 h TYR 147 Cb 1.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 3it3 h TYR 147 CO -0.02 0.10 0.00 0.09 -1.05 0.00 0.00 178.16 177.28 3it3 n ASN 148 N -3.96 3.14 -4.75 3.88 3.02 -1.26 -4.34 115.26 110.98 3it3 n ASN 148 Ca -0.02 -1.94 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 3it3 n ASN 148 Cb 0.19 -0.14 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 3it3 n ASN 148 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3it3 s SER 149 N -1.59 5.22 0.26 6.41 1.04 -0.60 -4.81 113.70 119.63 3it3 s SER 149 Ca 0.32 2.42 -0.03 0.00 0.48 0.00 0.00 55.95 59.15 3it3 s SER 149 Cb 0.20 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 64.15 3it3 s SER 149 CO 0.29 -1.58 1.83 -0.65 0.98 0.00 0.00 173.24 174.11 3it3 h PRO 150 N 0.98 0.89 -0.65 4.02 0.11 -1.93 -0.91 132.00 134.50 3it3 h PRO 150 Ca -0.50 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 3it3 h PRO 150 Cb 1.30 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3it3 h PRO 150 CO 0.55 0.59 0.25 0.93 -0.21 0.00 0.00 178.00 180.11 3it3 h GLU 151 N 0.91 0.98 -0.27 1.05 3.07 -1.92 0.25 114.58 118.65 3it3 h GLU 151 Ca 0.43 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 3it3 h GLU 151 Cb 0.36 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3it3 h GLU 151 CO -0.24 0.83 -0.11 2.35 -1.40 0.00 0.00 179.01 180.44 3it3 h TRP 152 N 0.92 0.64 -0.72 4.33 2.91 -1.62 -1.90 115.95 120.51 3it3 h TRP 152 Ca 0.22 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 3it3 h TRP 152 Cb 0.22 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 3it3 h TRP 152 CO 0.01 0.79 0.31 1.96 -1.03 0.00 0.00 178.44 180.49 3it3 h GLN 153 N 0.30 1.06 -0.29 2.65 4.20 -1.03 0.49 115.11 122.49 3it3 h GLN 153 Ca 0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3it3 h GLN 153 Cb 0.61 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3it3 h GLN 153 CO 0.04 0.86 0.08 -0.91 -0.67 0.00 0.00 178.83 178.23 3it3 h ASN 154 N 1.02 0.42 -0.57 1.46 2.35 -0.89 -1.12 115.58 118.26 3it3 h ASN 154 Ca 0.24 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3it3 h ASN 154 Cb 0.17 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3it3 h ASN 154 CO -0.02 0.53 0.11 0.50 -1.65 0.00 0.00 177.43 176.89 3it3 h LYS 155 N 0.30 0.97 -0.15 0.81 1.63 -1.21 -2.18 116.57 116.74 3it3 h LYS 155 Ca 0.09 -0.23 0.03 0.00 -0.85 0.00 0.00 60.65 59.69 3it3 h LYS 155 Cb 0.26 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 3it3 h LYS 155 CO -0.00 0.89 -0.04 1.15 -3.45 0.00 0.00 179.45 177.99 3it3 h THR 156 N 0.92 0.84 -0.66 1.00 2.02 -0.62 -1.46 112.91 114.95 3it3 h THR 156 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3it3 h THR 156 Cb 0.38 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3it3 h THR 156 CO 0.01 0.00 0.41 0.11 0.37 0.00 0.00 175.52 176.41 3it3 h LYS 157 N -0.01 0.88 -0.38 6.66 1.57 -0.92 0.23 116.57 124.61 3it3 h LYS 157 Ca 0.07 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3it3 h LYS 157 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3it3 h LYS 157 CO -0.16 0.61 -0.23 0.93 -0.57 0.00 0.00 179.45 180.03 3it3 h GLU 158 N 0.90 0.75 0.00 3.15 4.39 -0.98 -3.23 114.58 119.55 3it3 h GLU 158 Ca 0.24 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3it3 h GLU 158 Cb -0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3it3 h GLU 158 CO -0.05 0.90 -1.10 0.00 -1.16 0.00 0.00 179.01 177.61 3it3 h ALA 159 N 1.09 0.61 -0.83 3.43 0.00 -0.67 -3.40 119.26 119.49 3it3 h ALA 159 Ca 0.09 -0.43 0.17 0.00 0.00 0.00 0.00 54.91 54.74 3it3 h ALA 159 Cb 0.73 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3it3 h ALA 159 CO 0.06 0.48 0.55 0.00 0.00 0.00 0.00 179.25 180.34 3it3 h ALA 160 N 1.69 2.15 0.00 0.00 0.00 -0.58 -0.64 119.26 121.88 3it3 h ALA 160 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3it3 h ALA 160 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3it3 h ALA 160 CO 0.03 -0.40 0.00 -2.30 0.00 0.00 0.00 179.25 176.58 3it3 n PRO 161 N -4.49 0.12 0.00 0.00 -0.02 -1.26 -1.69 135.00 127.65 3it3 n PRO 161 Ca 0.17 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3it3 n PRO 161 Cb 0.61 -1.84 0.05 0.00 -0.02 0.00 0.00 33.50 32.30 3it3 n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3it3 n ASN 162 N -2.09 0.75 -0.06 2.55 3.02 -0.25 -4.60 115.26 114.59 3it3 n ASN 162 Ca -0.00 -0.62 -0.10 0.00 -0.03 0.00 0.00 54.58 53.83 3it3 n ASN 162 Cb 0.07 0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 39.86 3it3 n ASN 162 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3it3 h PHE 163 N 0.00 0.31 -0.34 3.10 0.04 -1.44 -1.85 116.94 116.76 3it3 h PHE 163 Ca 0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3it3 h PHE 163 Cb 0.51 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3it3 h PHE 163 CO 0.00 0.24 0.19 0.00 -0.60 0.00 0.00 178.31 178.14 3it3 h ALA 164 N 1.04 0.42 -0.14 2.45 0.00 -1.81 0.19 119.26 121.40 3it3 h ALA 164 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3it3 h ALA 164 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3it3 h ALA 164 CO -0.01 -0.17 0.07 -0.22 0.00 0.00 0.00 179.25 178.92 3it3 h LYS 165 N 0.39 0.20 -0.82 0.00 3.64 -1.83 -1.71 116.57 116.42 3it3 h LYS 165 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3it3 h LYS 165 Cb 0.02 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3it3 h LYS 165 CO -0.07 0.22 0.41 -1.49 -2.27 0.00 0.00 179.45 176.25 3it3 h TRP 166 N 0.12 1.17 -0.41 1.91 6.55 -1.08 -0.72 115.95 123.49 3it3 h TRP 166 Ca 0.05 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 3it3 h TRP 166 Cb 0.08 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 27.99 3it3 h TRP 166 CO -0.04 0.83 0.25 0.37 -1.05 0.00 0.00 178.44 178.81 3it3 h GLN 167 N 1.17 0.55 -0.23 0.49 4.15 -0.77 0.18 115.11 120.65 3it3 h GLN 167 Ca 0.29 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.52 3it3 h GLN 167 Cb 0.09 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3it3 h GLN 167 CO -0.04 0.40 -0.44 0.37 -1.93 0.00 0.00 178.83 177.19 3it3 h GLN 168 N 0.54 0.57 0.04 1.69 5.75 -0.87 0.24 115.11 123.07 3it3 h GLN 168 Ca 0.15 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3it3 h GLN 168 Cb -0.01 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3it3 h GLN 168 CO -0.03 0.90 -0.02 0.82 -2.65 0.00 0.00 178.83 177.85 3it3 h ILE 169 N 0.46 1.23 0.00 2.39 2.04 -0.99 -3.34 117.51 119.30 3it3 h ILE 169 Ca 0.03 -0.91 -0.21 0.00 1.00 0.00 0.00 64.86 64.78 3it3 h ILE 169 Cb 0.95 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 3it3 h ILE 169 CO 0.09 0.23 -1.19 -0.07 0.00 0.00 0.00 178.15 177.21 3it3 h LEU 170 N -0.46 0.00 0.00 1.44 3.38 -0.96 -3.44 115.31 115.28 3it3 h LEU 170 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3it3 h LEU 170 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3it3 h LEU 170 CO 0.01 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.98 3it3 n GLY 171 N 1.39 2.52 3.61 0.83 0.00 0.85 -1.49 105.19 112.89 3it3 n GLY 171 Ca -0.06 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3it3 n GLY 171 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3it3 n ASN 172 N 2.08 1.09 -4.73 1.61 4.13 -1.26 -4.89 115.26 113.29 3it3 n ASN 172 Ca 0.00 0.96 -0.42 0.00 1.68 0.00 0.00 54.58 56.80 3it3 n ASN 172 Cb 0.00 -1.37 -0.03 0.00 -1.54 0.00 0.00 39.78 36.85 3it3 n ASN 172 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3it3 s ARG 173 N -2.25 4.16 -0.30 3.52 3.52 -1.26 -4.53 118.95 121.80 3it3 s ARG 173 Ca 0.67 2.52 -0.00 0.00 -0.13 0.00 0.00 55.73 58.78 3it3 s ARG 173 Cb -0.50 -3.08 0.10 0.00 -1.56 0.00 0.00 34.95 29.90 3it3 s ARG 173 CO 0.54 -0.66 0.08 0.42 -0.81 0.00 0.00 175.30 174.88 3it3 s ILE 174 N 0.76 1.01 0.00 4.11 -1.09 -1.26 -4.83 121.20 119.89 3it3 s ILE 174 Ca 0.69 -1.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 3it3 s ILE 174 Cb -0.47 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 3it3 s ILE 174 CO 0.37 -0.63 0.65 -1.54 -1.23 0.00 0.00 174.94 172.56 3it3 n SER 175 N 4.80 0.73 -3.65 3.58 3.41 -1.26 -4.64 113.62 116.59 3it3 n SER 175 Ca -0.02 -1.35 -0.00 0.00 -0.26 0.00 0.00 58.87 57.24 3it3 n SER 175 Cb 0.42 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3it3 n SER 175 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3it3 s GLY 176 N -0.35 -0.26 0.43 5.00 0.00 -1.26 -5.01 107.32 105.87 3it3 s GLY 176 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 44.72 45.13 3it3 s GLY 176 CO 0.00 1.11 2.07 1.41 0.00 0.00 0.00 173.10 177.69 3it3 h LEU 177 N 2.00 0.38 -0.95 0.66 3.38 -1.95 -1.66 115.31 117.17 3it3 h LEU 177 Ca -0.27 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3it3 h LEU 177 Cb 1.21 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3it3 h LEU 177 CO 0.29 0.28 0.60 -0.55 0.09 0.00 0.00 178.44 179.15 3it3 h ASN 178 N 0.45 0.91 0.17 -0.43 -1.07 -1.99 0.12 115.58 113.74 3it3 h ASN 178 Ca 0.12 0.03 -0.16 0.00 0.07 0.00 0.00 56.30 56.36 3it3 h ASN 178 Cb -0.04 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.04 3it3 h ASN 178 CO -0.03 0.54 -0.60 0.44 0.07 0.00 0.00 177.43 177.86 3it3 h ASP 179 N 1.02 0.48 -0.50 6.14 3.32 -1.64 -1.88 116.42 123.36 3it3 h ASP 179 Ca 0.44 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3it3 h ASP 179 Cb 0.31 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3it3 h ASP 179 CO -0.22 0.97 0.29 0.58 -1.72 0.00 0.00 179.24 179.14 3it3 h VAL 180 N 0.32 1.16 -0.88 -1.35 2.07 -0.88 -2.11 116.25 114.58 3it3 h VAL 180 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3it3 h VAL 180 Cb 1.13 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3it3 h VAL 180 CO 0.10 0.16 0.46 0.40 0.02 0.00 0.00 177.57 178.72 3it3 h ILE 181 N 0.67 1.26 0.03 4.57 2.04 -0.83 0.17 117.51 125.42 3it3 h ILE 181 Ca 0.18 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3it3 h ILE 181 Cb 0.01 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3it3 h ILE 181 CO -0.03 0.30 -0.07 0.74 0.00 0.00 0.00 178.15 179.09 3it3 h THR 182 N 1.24 0.83 0.00 -0.27 2.02 -1.00 -2.39 112.91 113.34 3it3 h THR 182 Ca 0.31 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.36 3it3 h THR 182 Cb 0.06 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3it3 h THR 182 CO -0.05 0.00 -0.61 -0.37 0.37 0.00 0.00 175.52 174.87 3it3 h VAL 183 N -0.13 1.21 -0.94 3.16 -1.51 -1.27 -3.22 116.25 113.54 3it3 h VAL 183 Ca 0.02 -2.26 0.04 0.00 -1.23 0.00 0.00 66.70 63.27 3it3 h VAL 183 Cb 0.15 2.30 -0.06 0.00 -2.13 0.00 0.00 31.29 31.56 3it3 h VAL 183 CO -0.05 0.59 0.62 1.23 -1.23 0.00 0.00 177.57 178.73 3it3 h GLY 184 N 2.53 1.38 0.92 5.19 0.00 -0.41 -1.54 103.07 111.13 3it3 h GLY 184 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.89 3it3 h GLY 184 CO 0.08 0.38 0.54 -1.80 0.00 0.00 0.00 176.54 175.74 3it3 h ASP 185 N 1.16 0.91 -0.74 0.19 3.58 -1.44 -0.01 116.42 120.06 3it3 h ASP 185 Ca 0.38 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 3it3 h ASP 185 Cb 0.06 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 3it3 h ASP 185 CO -0.13 0.63 0.30 0.58 -2.88 0.00 0.00 179.24 177.75 3it3 h VAL 186 N 1.07 1.25 -0.34 2.25 2.07 -1.42 -1.27 116.25 119.86 3it3 h VAL 186 Ca 0.32 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3it3 h VAL 186 Cb -0.04 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3it3 h VAL 186 CO -0.10 0.32 -0.13 -0.07 0.02 0.00 0.00 177.57 177.61 3it3 h LEU 187 N 1.07 0.57 -0.32 2.57 3.38 -0.83 0.80 115.31 122.55 3it3 h LEU 187 Ca 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3it3 h LEU 187 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3it3 h LEU 187 CO -0.02 0.73 0.07 0.40 0.09 0.00 0.00 178.44 179.72 3it3 h ILE 188 N 0.54 1.22 -0.39 1.22 2.04 -0.60 -0.69 117.51 120.86 3it3 h ILE 188 Ca 0.10 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3it3 h ILE 188 Cb 0.54 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3it3 h ILE 188 CO 0.03 0.25 0.20 0.58 0.00 0.00 0.00 178.15 179.21 3it3 h VAL 189 N 0.36 1.16 -0.45 1.67 2.07 -0.94 -0.92 116.25 119.20 3it3 h VAL 189 Ca 0.10 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3it3 h VAL 189 Cb 0.31 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3it3 h VAL 189 CO 0.00 0.17 0.19 0.00 0.02 0.00 0.00 177.57 177.95 3it3 h ALA 190 N 1.05 0.56 -0.68 1.67 0.00 -0.70 -1.69 119.26 119.46 3it3 h ALA 190 Ca 0.13 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3it3 h ALA 190 Cb 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3it3 h ALA 190 CO -0.02 -0.19 0.17 0.37 0.00 0.00 0.00 179.25 179.58 3it3 h GLN 191 N 0.38 1.09 0.00 0.00 5.75 -0.93 -0.65 115.11 120.75 3it3 h GLN 191 Ca 0.21 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3it3 h GLN 191 Cb 0.17 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3it3 h GLN 191 CO -0.19 0.96 -0.04 0.00 -2.65 0.00 0.00 178.83 176.92 3it3 h ALA 192 N 1.08 1.14 -0.37 3.38 0.00 -0.64 -2.32 119.26 121.53 3it3 h ALA 192 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3it3 h ALA 192 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3it3 h ALA 192 CO 0.00 0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.02 3it3 n HIS 193 N -3.34 0.67 -2.29 0.00 8.25 -0.68 -4.98 115.22 112.84 3it3 n HIS 193 Ca -0.02 -0.59 -0.16 0.00 -0.26 0.00 0.00 57.72 56.69 3it3 n HIS 193 Cb 0.18 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 3it3 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3it3 n GLY 194 N 0.40 -0.26 3.85 -1.41 0.00 -0.70 -4.99 105.19 102.08 3it3 n GLY 194 Ca 0.15 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3it3 n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it3 s LYS 195 N -4.78 3.94 0.75 1.61 1.02 -0.33 -5.03 119.74 116.91 3it3 s LYS 195 Ca 0.00 0.80 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 3it3 s LYS 195 Cb 0.00 -2.25 0.05 0.00 -0.52 0.00 0.00 37.83 35.11 3it3 s LYS 195 CO 0.00 -0.12 1.13 -2.14 -0.92 0.00 0.00 175.35 173.30 3it3 s PRO 196 N -3.77 2.23 0.59 -1.68 0.02 -1.26 -4.70 135.00 126.43 3it3 s PRO 196 Ca 0.56 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.83 3it3 s PRO 196 Cb -0.10 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 3it3 s PRO 196 CO 0.27 -1.70 1.21 -0.51 -0.33 0.00 0.00 177.00 175.94 3it3 s LEU 197 N -5.49 3.66 0.53 -5.54 1.43 -1.26 -4.98 118.68 107.03 3it3 s LEU 197 Ca 0.67 2.38 -0.21 0.00 -1.03 0.00 0.00 54.13 55.94 3it3 s LEU 197 Cb -0.22 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.34 3it3 s LEU 197 CO 0.49 -1.60 1.17 -2.65 0.23 0.00 0.00 176.35 173.99 3it3 n PRO 198 N -1.61 1.41 -1.70 1.29 -0.02 -1.26 -4.87 135.00 128.24 3it3 n PRO 198 Ca 0.14 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 3it3 n PRO 198 Cb 0.50 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3it3 n PRO 198 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3it3 n LYS 199 N -0.72 2.40 -0.18 -0.52 5.02 -1.26 -1.64 118.16 121.27 3it3 n LYS 199 Ca 0.11 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3it3 n LYS 199 Cb 0.44 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 3it3 n LYS 199 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3it3 n GLY 200 N 3.05 1.98 3.51 0.72 0.00 -1.26 -4.91 105.19 108.28 3it3 n GLY 200 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3it3 n GLY 200 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3it3 s LEU 201 N 0.00 4.71 0.77 0.99 2.96 -0.65 -5.02 118.68 122.44 3it3 s LEU 201 Ca 0.00 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 3it3 s LEU 201 Cb 0.00 -2.36 0.05 0.00 0.50 0.00 0.00 46.19 44.38 3it3 s LEU 201 CO 0.00 -0.48 1.08 -0.94 -1.32 0.00 0.00 176.35 174.69 3it3 s SER 202 N 1.77 4.70 0.33 3.68 1.04 -1.26 -4.64 113.70 119.32 3it3 s SER 202 Ca 0.12 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.07 3it3 s SER 202 Cb -0.17 -2.29 0.57 0.00 0.10 0.00 0.00 66.02 64.24 3it3 s SER 202 CO 0.13 -1.86 1.95 -0.61 0.98 0.00 0.00 173.24 173.82 3it3 h GLN 203 N -1.01 0.80 -0.46 4.02 5.75 -1.98 -0.65 115.11 121.57 3it3 h GLN 203 Ca -0.46 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 57.98 3it3 h GLN 203 Cb 1.24 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 3it3 h GLN 203 CO 0.57 0.60 0.27 1.49 -2.65 0.00 0.00 178.83 179.11 3it3 h GLU 204 N 0.80 0.53 -0.39 1.69 4.81 -1.99 0.10 114.58 120.14 3it3 h GLU 204 Ca 0.20 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3it3 h GLU 204 Cb 0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3it3 h GLU 204 CO -0.03 0.35 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.12 3it3 h ASP 205 N 0.55 0.70 -0.57 1.04 3.32 -1.76 -1.39 116.42 118.31 3it3 h ASP 205 Ca 0.18 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3it3 h ASP 205 Cb 0.01 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3it3 h ASP 205 CO -0.08 0.87 0.35 0.00 -1.72 0.00 0.00 179.24 178.66 3it3 h ALA 206 N 0.86 0.74 -0.82 3.45 0.00 -0.86 -1.08 119.26 121.55 3it3 h ALA 206 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3it3 h ALA 206 Cb 0.53 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3it3 h ALA 206 CO 0.03 0.08 0.54 -0.44 0.00 0.00 0.00 179.25 179.46 3it3 h ASP 207 N 0.70 0.92 -0.43 0.00 3.32 -0.59 -0.53 116.42 119.80 3it3 h ASP 207 Ca 0.23 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3it3 h ASP 207 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3it3 h ASP 207 CO -0.09 0.65 0.15 1.56 -1.72 0.00 0.00 179.24 179.80 3it3 h GLN 208 N 1.08 0.66 -0.39 3.56 4.20 -0.75 0.21 115.11 123.68 3it3 h GLN 208 Ca 0.31 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3it3 h GLN 208 Cb -0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3it3 h GLN 208 CO -0.08 0.62 0.14 0.82 -0.67 0.00 0.00 178.83 179.66 3it3 h ILE 209 N 0.55 1.21 -0.68 2.54 2.04 -0.85 -0.70 117.51 121.61 3it3 h ILE 209 Ca 0.14 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3it3 h ILE 209 Cb 0.23 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3it3 h ILE 209 CO -0.01 0.23 0.14 0.40 0.00 0.00 0.00 178.15 178.91 3it3 h ILE 210 N 0.48 1.26 -0.77 -0.67 2.04 -0.99 -1.10 117.51 117.75 3it3 h ILE 210 Ca 0.13 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3it3 h ILE 210 Cb 0.23 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3it3 h ILE 210 CO -0.01 0.38 0.27 0.00 0.00 0.00 0.00 178.15 178.79 3it3 h ALA 211 N 1.10 1.01 -0.31 1.87 0.00 -0.68 -1.17 119.26 121.09 3it3 h ALA 211 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3it3 h ALA 211 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3it3 h ALA 211 CO 0.01 0.67 -0.17 -0.07 0.00 0.00 0.00 179.25 179.69 3it3 h LEU 212 N 1.14 0.56 -0.24 0.00 3.38 -0.86 -0.60 115.31 118.69 3it3 h LEU 212 Ca 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3it3 h LEU 212 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3it3 h LEU 212 CO -0.01 0.75 0.05 0.74 0.09 0.00 0.00 178.44 180.05 3it3 h THR 213 N 0.51 1.22 -0.38 0.22 2.02 -0.69 0.11 112.91 115.92 3it3 h THR 213 Ca 0.08 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3it3 h THR 213 Cb 0.59 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3it3 h THR 213 CO 0.04 0.23 0.16 -0.78 0.37 0.00 0.00 175.52 175.54 3it3 h ASP 214 N 0.20 0.52 -0.51 4.18 1.82 -1.09 -1.63 116.42 119.92 3it3 h ASP 214 Ca 0.07 -0.16 0.01 0.00 -0.39 0.00 0.00 57.03 56.57 3it3 h ASP 214 Cb 0.30 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 3it3 h ASP 214 CO 0.00 0.54 0.32 -0.25 -1.61 0.00 0.00 179.24 178.24 3it3 h TRP 215 N 0.47 0.61 -0.28 0.28 7.01 -0.96 -2.53 115.95 120.55 3it3 h TRP 215 Ca 0.13 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3it3 h TRP 215 Cb 0.18 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3it3 h TRP 215 CO -0.00 0.37 0.02 0.78 -2.79 0.00 0.00 178.44 176.82 3it3 h GLY 216 N 0.65 0.52 0.99 2.65 0.00 -0.54 0.10 103.07 107.44 3it3 h GLY 216 Ca 0.19 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3it3 h GLY 216 CO -0.06 0.33 0.32 1.41 0.00 0.00 0.00 176.54 178.54 3it3 h LEU 217 N 0.28 0.62 -0.55 3.11 3.38 -1.25 -2.47 115.31 118.42 3it3 h LEU 217 Ca 0.08 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3it3 h LEU 217 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3it3 h LEU 217 CO 0.01 0.48 -0.24 0.00 0.09 0.00 0.00 178.44 178.78 3it3 h ALA 218 N 1.16 0.75 -0.69 1.53 0.00 -1.32 -3.14 119.26 117.55 3it3 h ALA 218 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3it3 h ALA 218 Cb -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3it3 h ALA 218 CO -0.04 0.66 0.46 0.37 0.00 0.00 0.00 179.25 180.70 3it3 h GLN 219 N 0.78 0.86 -0.90 0.00 5.75 -0.53 -2.01 115.11 119.07 3it3 h GLN 219 Ca 0.10 -0.05 0.13 0.00 -0.15 0.00 0.00 58.65 58.68 3it3 h GLN 219 Cb 0.80 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.08 3it3 h GLN 219 CO 0.07 0.57 0.58 1.96 -2.65 0.00 0.00 178.83 179.36 3it3 h GLN 220 N 0.89 0.74 -0.42 1.69 4.20 -1.39 -2.33 115.11 118.49 3it3 h GLN 220 Ca 0.26 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3it3 h GLN 220 Cb -0.03 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3it3 h GLN 220 CO -0.07 0.49 0.00 1.19 -0.67 0.00 0.00 178.83 179.77 3it3 n PHE 221 N -4.56 0.54 0.58 2.96 3.72 -0.77 -3.68 117.46 116.24 3it3 n PHE 221 Ca 0.17 -0.29 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 3it3 n PHE 221 Cb 0.43 -0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.40 3it3 n PHE 221 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3it3 n LYS 222 N 1.44 0.09 -2.87 -1.08 5.02 -0.88 -4.41 118.16 115.48 3it3 n LYS 222 Ca 0.19 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 3it3 n LYS 222 Cb 0.59 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 3it3 n LYS 222 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3it3 s SER 223 N -3.58 6.81 0.36 4.39 0.15 -1.24 -4.94 113.70 115.65 3it3 s SER 223 Ca 0.08 0.95 0.11 0.00 0.70 0.00 0.00 55.95 57.80 3it3 s SER 223 Cb 0.12 -2.44 0.68 0.00 -1.71 0.00 0.00 66.02 62.66 3it3 s SER 223 CO 0.40 -0.58 1.81 -0.61 1.20 0.00 0.00 173.24 175.46 3it3 h GLN 224 N 7.82 0.06 0.07 5.44 4.15 -1.81 -1.67 115.11 129.17 3it3 h GLN 224 Ca -0.23 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 3it3 h GLN 224 Cb 1.09 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3it3 h GLN 224 CO 0.90 0.41 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.95 3it3 h LYS 225 N 0.05 -0.10 -0.53 1.69 1.63 -1.92 0.94 116.57 118.34 3it3 h LYS 225 Ca 0.00 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3it3 h LYS 225 Cb 0.67 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 3it3 h LYS 225 CO 0.05 0.10 0.31 0.28 -3.45 0.00 0.00 179.45 176.74 3it3 h VAL 226 N -0.28 1.03 -0.75 2.00 2.07 -1.84 -0.69 116.25 117.80 3it3 h VAL 226 Ca -0.01 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3it3 h VAL 226 Cb 0.24 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3it3 h VAL 226 CO 0.02 0.11 0.46 0.28 0.02 0.00 0.00 177.57 178.46 3it3 h SER 227 N 0.61 0.75 -0.35 0.57 0.02 -1.14 -2.72 113.55 111.29 3it3 h SER 227 Ca 0.22 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3it3 h SER 227 Cb 0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3it3 h SER 227 CO -0.11 0.51 -0.19 0.22 -1.14 0.00 0.00 176.83 176.12 3it3 h TYR 228 N 0.89 0.87 -0.58 3.45 3.20 -0.30 0.59 116.97 125.09 3it3 h TYR 228 Ca 0.31 -0.22 0.12 0.00 3.14 0.00 0.00 58.73 62.07 3it3 h TYR 228 Cb 0.05 -0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.03 3it3 h TYR 228 CO -0.04 0.96 0.05 0.82 -1.64 0.00 0.00 178.16 178.31 3it3 h ILE 229 N 0.54 0.58 0.00 1.81 2.04 -0.90 0.13 117.51 121.70 3it3 h ILE 229 Ca 0.08 -0.06 -0.23 0.00 1.00 0.00 0.00 64.86 65.65 3it3 h ILE 229 Cb 0.74 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3it3 h ILE 229 CO 0.06 0.03 -1.62 0.23 0.00 0.00 0.00 178.15 176.85 3it3 n MET 230 N -5.21 0.63 0.00 2.37 2.81 -1.05 -4.54 117.12 112.14 3it3 n MET 230 Ca 0.08 0.23 0.01 0.00 -1.81 0.00 0.00 57.70 56.22 3it3 n MET 230 Cb 0.32 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 3it3 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3it3 n GLY 231 N 1.48 -0.48 0.37 3.03 0.00 0.21 -4.66 105.19 105.13 3it3 n GLY 231 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3it3 n GLY 231 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3it3 h GLY 232 N 0.56 1.32 0.80 -0.02 0.00 -0.81 -1.06 103.07 103.85 3it3 h GLY 232 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3it3 h GLY 232 CO 0.00 0.43 0.02 1.70 0.00 0.00 0.00 176.54 178.69 3it3 h LYS 233 N 1.20 0.24 -0.42 4.80 3.64 -1.83 -0.91 116.57 123.29 3it3 h LYS 233 Ca 0.35 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 3it3 h LYS 233 Cb -0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3it3 h LYS 233 CO -0.09 0.44 -0.26 1.25 -2.27 0.00 0.00 179.45 178.52 3it3 h LEU 234 N 0.00 0.92 -0.28 5.20 5.85 -1.72 -1.45 115.31 123.83 3it3 h LEU 234 Ca 0.04 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3it3 h LEU 234 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3it3 h LEU 234 CO 0.00 1.12 0.16 0.74 -0.34 0.00 0.00 178.44 180.12 3it3 h THR 235 N 0.76 1.11 -0.81 1.05 2.02 -1.09 -0.11 112.91 115.84 3it3 h THR 235 Ca 0.09 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3it3 h THR 235 Cb 0.81 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3it3 h THR 235 CO 0.07 0.11 0.51 0.78 0.37 0.00 0.00 175.52 177.36 3it3 h ASN 236 N 0.34 0.82 -0.50 4.18 2.35 -1.08 -2.38 115.58 119.31 3it3 h ASN 236 Ca 0.10 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3it3 h ASN 236 Cb 0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3it3 h ASN 236 CO -0.02 0.55 0.04 -0.09 -1.65 0.00 0.00 177.43 176.26 3it3 h ARG 237 N 0.96 0.85 -0.67 0.81 2.43 -0.61 -0.38 114.38 117.78 3it3 h ARG 237 Ca 0.34 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3it3 h ARG 237 Cb 0.09 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3it3 h ARG 237 CO -0.14 0.87 0.28 0.52 -1.51 0.00 0.00 179.97 179.98 3it3 h MET 238 N 0.72 1.00 -0.51 0.20 2.86 -0.86 0.09 114.93 118.43 3it3 h MET 238 Ca 0.15 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3it3 h MET 238 Cb 0.46 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3it3 h MET 238 CO 0.02 0.82 -0.01 0.82 1.06 0.00 0.00 176.91 179.62 3it3 h ILE 239 N 0.95 1.25 -0.55 -1.22 2.04 -1.22 -2.04 117.51 116.72 3it3 h ILE 239 Ca 0.22 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3it3 h ILE 239 Cb 0.19 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3it3 h ILE 239 CO -0.02 0.38 0.27 -0.08 0.00 0.00 0.00 178.15 178.70 3it3 h GLU 240 N 0.80 0.77 -0.69 2.37 4.57 -0.56 -1.60 114.58 120.24 3it3 h GLU 240 Ca 0.15 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3it3 h GLU 240 Cb 0.49 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 3it3 h GLU 240 CO 0.02 0.59 0.46 -0.44 -1.18 0.00 0.00 179.01 178.46 3it3 h ASP 241 N 0.77 0.79 -0.32 1.04 3.32 -0.31 0.61 116.42 122.32 3it3 h ASP 241 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3it3 h ASP 241 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3it3 h ASP 241 CO -0.03 0.57 0.21 -0.07 -1.72 0.00 0.00 179.24 178.20 3it3 h LEU 242 N 0.93 0.36 -1.00 1.55 4.07 -0.82 -2.31 115.31 118.09 3it3 h LEU 242 Ca 0.26 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 3it3 h LEU 242 Cb -0.10 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.51 3it3 h LEU 242 CO -0.06 0.26 0.58 0.78 -1.08 0.00 0.00 178.44 178.92 3it3 h ASN 243 N 0.42 1.12 0.60 -0.43 2.35 -0.82 -1.88 115.58 116.94 3it3 h ASN 243 Ca 0.12 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3it3 h ASN 243 Cb -0.04 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.04 3it3 h ASN 243 CO -0.03 0.85 -0.08 0.78 -1.65 0.00 0.00 177.43 177.29 3it3 h ASN 244 N 1.29 0.00 1.55 5.81 2.35 -0.57 -0.10 115.58 125.91 3it3 h ASN 244 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3it3 h ASN 244 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3it3 h ASN 244 CO -0.07 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 3it3 h ALA 245 N 1.92 1.00 0.01 -0.83 0.00 -0.79 -2.28 119.26 118.29 3it3 h ALA 245 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 3it3 h ALA 245 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3it3 h ALA 245 CO 0.01 0.00 -2.44 0.28 0.00 0.00 0.00 179.25 177.10 3it3 n VAL 246 N -3.00 1.50 1.72 0.00 0.31 -0.67 -4.55 118.33 113.65 3it3 n VAL 246 Ca 0.03 -0.60 0.15 0.00 -0.01 0.00 0.00 64.34 63.91 3it3 n VAL 246 Cb 0.43 -1.36 0.71 0.00 -0.91 0.00 0.00 33.84 32.70 3it3 n VAL 246 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3it3 n ASN 247 N -3.23 0.82 0.00 4.52 0.23 -0.14 -4.90 115.26 112.56 3it3 n ASN 247 Ca -0.44 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 3it3 n ASN 247 Cb 1.01 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 3it3 n ASN 247 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3it3 n GLY 248 N 1.09 1.13 0.18 4.83 0.00 -1.21 -4.92 105.19 106.29 3it3 n GLY 248 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 3it3 n GLY 248 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3it3 h LYS 249 N 3.48 0.16 -5.19 1.61 6.56 -1.85 -3.44 116.57 117.91 3it3 h LYS 249 Ca 0.00 -0.08 -0.43 0.00 -1.06 0.00 0.00 60.65 59.07 3it3 h LYS 249 Cb 0.00 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 31.40 3it3 h LYS 249 CO 0.00 0.60 -0.79 0.45 -2.06 0.00 0.00 179.45 177.65 3it3 s SER 250 N -6.89 1.53 0.00 0.86 0.15 -0.87 -5.03 113.70 103.45 3it3 s SER 250 Ca -0.04 -0.39 0.18 0.00 0.70 0.00 0.00 55.95 56.41 3it3 s SER 250 Cb 0.13 -0.11 0.32 0.00 -1.71 0.00 0.00 66.02 64.65 3it3 s SER 250 CO 0.77 0.05 1.25 0.29 1.20 0.00 0.00 173.24 176.80 3it3 n LYS 251 N 2.15 2.16 -1.94 5.44 4.01 -1.26 -4.48 118.16 124.23 3it3 n LYS 251 Ca -0.17 -2.00 -0.40 0.00 -0.51 0.00 0.00 58.31 55.23 3it3 n LYS 251 Cb 0.55 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 3it3 n LYS 251 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3it3 s TYR 252 N -1.30 2.69 -0.20 2.13 2.02 -1.26 -4.83 117.35 116.60 3it3 s TYR 252 Ca 0.30 1.33 0.20 0.00 -0.37 0.00 0.00 57.07 58.53 3it3 s TYR 252 Cb 0.18 -3.80 -0.01 0.00 -0.40 0.00 0.00 41.96 37.92 3it3 s TYR 252 CO 0.25 -2.46 1.05 0.87 -1.57 0.00 0.00 175.55 173.69 3it3 h LYS 253 N 2.67 0.00 -2.81 -0.62 1.79 -0.86 -3.48 116.57 113.27 3it3 h LYS 253 Ca -0.50 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.84 3it3 h LYS 253 Cb 1.25 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.65 3it3 h LYS 253 CO 0.63 0.15 -0.28 1.41 -1.08 0.00 0.00 179.45 180.28 3it3 s MET 254 N -3.15 0.44 -0.10 3.15 1.75 -1.12 -1.87 119.30 118.40 3it3 s MET 254 Ca -0.00 0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 3it3 s MET 254 Cb 0.09 0.19 -0.03 0.00 2.84 0.00 0.00 34.83 37.93 3it3 s MET 254 CO 0.78 -0.06 -0.09 0.95 -0.65 0.00 0.00 175.02 175.95 3it3 s THR 255 N 0.30 3.51 -0.12 10.11 -4.23 -0.77 -1.22 115.64 123.22 3it3 s THR 255 Ca -0.01 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 3it3 s THR 255 Cb -0.03 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3it3 s THR 255 CO -0.01 0.56 -0.04 -0.47 -0.54 0.00 0.00 174.62 174.12 3it3 s TYR 256 N -0.32 1.31 -0.36 3.99 5.04 0.60 -0.47 117.35 127.15 3it3 s TYR 256 Ca 0.04 -0.70 -0.11 0.00 -2.44 0.00 0.00 57.07 53.86 3it3 s TYR 256 Cb -0.13 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.06 3it3 s TYR 256 CO 0.02 -0.50 0.20 0.71 -1.34 0.00 0.00 175.55 174.64 3it3 s TYR 257 N 1.77 3.22 -0.36 4.97 2.02 0.57 -0.97 117.35 128.57 3it3 s TYR 257 Ca 0.03 -0.76 -0.22 0.00 -0.37 0.00 0.00 57.07 55.75 3it3 s TYR 257 Cb -0.14 -2.43 0.01 0.00 -0.40 0.00 0.00 41.96 39.00 3it3 s TYR 257 CO -0.07 -0.57 0.71 0.45 -1.57 0.00 0.00 175.55 174.50 3it3 s SER 258 N 1.59 6.48 0.00 2.29 0.15 -0.06 -2.36 113.70 121.80 3it3 s SER 258 Ca 0.03 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3it3 s SER 258 Cb -0.18 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3it3 s SER 258 CO 0.07 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.45 3it3 n GLY 259 N 4.62 5.35 3.44 9.45 0.00 0.10 -2.39 105.19 125.75 3it3 n GLY 259 Ca 0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 3it3 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3it3 s HIS 260 N 1.27 1.79 0.25 1.61 3.76 -1.24 -1.72 115.29 121.02 3it3 s HIS 260 Ca 0.00 -1.15 -0.03 0.00 -0.15 0.00 0.00 55.06 53.73 3it3 s HIS 260 Cb 0.00 -1.13 0.47 0.00 1.11 0.00 0.00 32.58 33.03 3it3 s HIS 260 CO 0.00 -0.21 1.77 0.00 -0.85 0.00 0.00 174.74 175.45 3it3 h ALA 261 N 2.06 1.20 -0.41 -1.40 0.00 -1.91 -1.60 119.26 117.20 3it3 h ALA 261 Ca -0.38 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3it3 h ALA 261 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3it3 h ALA 261 CO 0.62 -0.06 0.14 -0.07 0.00 0.00 0.00 179.25 179.88 3it3 h LEU 262 N 0.64 0.53 -0.31 0.00 3.38 -1.96 -0.90 115.31 116.69 3it3 h LEU 262 Ca 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3it3 h LEU 262 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3it3 h LEU 262 CO -0.33 0.51 0.16 0.74 0.09 0.00 0.00 178.44 179.61 3it3 h THR 263 N 0.58 1.15 -0.22 0.22 2.02 -1.46 0.98 112.91 116.18 3it3 h THR 263 Ca 0.14 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3it3 h THR 263 Cb 0.16 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3it3 h THR 263 CO -0.01 0.15 -0.08 -0.07 0.37 0.00 0.00 175.52 175.87 3it3 h LEU 264 N 0.38 0.45 -0.80 2.58 3.38 -1.26 -2.60 115.31 117.43 3it3 h LEU 264 Ca 0.11 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3it3 h LEU 264 Cb 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3it3 h LEU 264 CO -0.02 0.74 0.52 -0.07 0.09 0.00 0.00 178.44 179.71 3it3 h LEU 265 N 0.15 0.88 -0.43 1.67 3.38 -1.05 -1.91 115.31 118.00 3it3 h LEU 265 Ca 0.05 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3it3 h LEU 265 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3it3 h LEU 265 CO 0.03 0.62 -0.74 1.05 0.09 0.00 0.00 178.44 179.49 3it3 h GLU 266 N 1.04 0.29 -0.02 1.13 4.11 -0.77 -0.46 114.58 119.90 3it3 h GLU 266 Ca 0.31 -0.25 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 3it3 h GLU 266 Cb -0.05 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3it3 h GLU 266 CO -0.09 0.91 -0.26 0.28 0.07 0.00 0.00 179.01 179.92 3it3 h VAL 267 N 0.19 1.50 -0.78 -1.06 2.07 -1.36 -0.13 116.25 116.68 3it3 h VAL 267 Ca -0.03 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3it3 h VAL 267 Cb 1.31 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 33.62 3it3 h VAL 267 CO 0.12 0.51 0.49 0.24 0.02 0.00 0.00 177.57 178.95 3it3 h MET 268 N -0.39 0.92 -0.47 1.57 2.86 -1.39 -1.94 114.93 116.10 3it3 h MET 268 Ca -0.03 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 3it3 h MET 268 Cb 0.96 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3it3 h MET 268 CO 0.05 0.61 -0.19 0.78 1.06 0.00 0.00 176.91 179.22 3it3 h GLY 269 N 0.95 1.00 1.18 8.32 0.00 -1.07 -1.36 103.07 112.09 3it3 h GLY 269 Ca 0.32 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3it3 h GLY 269 CO -0.12 0.78 0.40 -0.84 0.00 0.00 0.00 176.54 176.75 3it3 h THR 270 N 0.81 1.23 0.00 4.70 2.02 -0.71 -2.19 112.91 118.77 3it3 h THR 270 Ca 0.11 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3it3 h THR 270 Cb 0.74 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3it3 h THR 270 CO 0.06 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.39 3it3 n LEU 271 N -4.34 0.00 0.00 2.58 4.77 -0.76 -4.88 117.00 114.37 3it3 n LEU 271 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3it3 n LEU 271 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3it3 n LEU 271 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3it3 n GLY 272 N 0.89 0.41 2.66 -0.72 0.00 -0.82 -4.85 105.19 102.77 3it3 n GLY 272 Ca 0.21 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3it3 n GLY 272 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3it3 n VAL 273 N -2.97 1.98 -1.74 1.61 0.24 -0.53 -4.95 118.33 111.98 3it3 n VAL 273 Ca 0.00 -5.06 -0.39 0.00 -2.04 0.00 0.00 64.34 56.85 3it3 n VAL 273 Cb 0.00 -0.94 0.04 0.00 -1.47 0.00 0.00 33.84 31.47 3it3 n VAL 273 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3it3 n PRO 274 N -0.13 1.80 -2.27 7.34 -0.04 -1.22 -4.47 135.00 136.02 3it3 n PRO 274 Ca 0.29 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 64.06 3it3 n PRO 274 Cb 0.53 -2.56 -0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3it3 n PRO 274 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3it3 s LEU 275 N -3.07 3.71 0.04 1.53 1.43 -1.26 -4.96 118.68 116.10 3it3 s LEU 275 Ca 0.69 2.03 0.23 0.00 -1.03 0.00 0.00 54.13 56.05 3it3 s LEU 275 Cb -0.43 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.25 3it3 s LEU 275 CO 0.52 -1.11 1.01 0.47 0.23 0.00 0.00 176.35 177.46 3it3 n ASP 276 N -1.40 0.61 -4.13 2.29 8.00 -1.26 -4.82 116.55 115.85 3it3 n ASP 276 Ca 0.10 -0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.18 3it3 n ASP 276 Cb 0.52 0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 3it3 n ASP 276 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3it3 s THR 277 N -3.19 0.88 0.23 -3.53 -4.23 -1.26 -4.84 115.64 99.70 3it3 s THR 277 Ca 0.04 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 3it3 s THR 277 Cb 0.15 -0.91 -0.09 0.00 1.34 0.00 0.00 72.50 72.98 3it3 s THR 277 CO 0.81 -0.31 1.29 0.00 -0.54 0.00 0.00 174.62 175.86 3it3 s ALA 278 N -1.41 3.51 0.19 3.99 0.00 -1.25 -4.83 121.76 121.95 3it3 s ALA 278 Ca -0.05 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.71 3it3 s ALA 278 Cb -0.09 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 3it3 s ALA 278 CO 0.01 -0.52 1.76 -2.14 0.00 0.00 0.00 175.76 174.87 3it3 s PRO 279 N -0.56 4.12 1.02 0.00 0.02 -1.26 -5.00 135.00 133.35 3it3 s PRO 279 Ca 0.54 2.62 -0.17 0.00 0.02 0.00 0.00 61.00 64.01 3it3 s PRO 279 Cb -0.37 -3.21 0.22 0.00 0.02 0.00 0.00 34.50 31.17 3it3 s PRO 279 CO 0.41 -0.78 1.25 0.20 -0.33 0.00 0.00 177.00 177.75 3it3 s GLY 280 N 1.58 1.71 0.40 0.52 0.00 -1.26 -4.86 107.32 105.42 3it3 s GLY 280 Ca 0.77 -1.09 -0.27 0.00 0.00 0.00 0.00 44.72 44.13 3it3 s GLY 280 CO 0.33 -0.30 1.42 -1.72 0.00 0.00 0.00 173.10 172.83 3it3 n TYR 281 N -4.04 2.72 -1.64 1.90 4.01 -1.26 -2.22 117.16 116.62 3it3 n TYR 281 Ca 0.14 0.47 -0.20 0.00 -0.16 0.00 0.00 57.90 58.14 3it3 n TYR 281 Cb 0.59 -2.48 -0.08 0.00 -0.31 0.00 0.00 39.34 37.06 3it3 n TYR 281 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3it3 n ALA 282 N 0.17 -0.33 -1.39 -0.72 0.00 -0.64 -4.95 120.51 112.65 3it3 n ALA 282 Ca 0.03 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 3it3 n ALA 282 Cb 0.39 -2.02 0.09 0.00 0.00 0.00 0.00 19.45 17.92 3it3 n ALA 282 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3it3 s SER 283 N -2.74 4.17 0.01 0.00 0.01 -0.94 -4.78 113.70 109.43 3it3 s SER 283 Ca 0.00 2.41 -0.23 0.00 1.31 0.00 0.00 55.95 59.44 3it3 s SER 283 Cb 0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.69 3it3 s SER 283 CO 0.00 -2.28 0.52 0.54 0.41 0.00 0.00 173.24 172.43 3it3 s ASN 284 N -1.93 -0.45 -0.01 2.44 4.22 -1.26 -0.77 114.94 117.18 3it3 s ASN 284 Ca 0.76 0.28 0.02 0.00 -2.14 0.00 0.00 52.86 51.78 3it3 s ASN 284 Cb -0.31 0.47 0.00 0.00 1.28 0.00 0.00 41.25 42.70 3it3 s ASN 284 CO 0.45 -0.65 -0.07 -0.22 -2.04 0.00 0.00 177.10 174.57 3it3 s LEU 285 N -1.69 1.87 -0.04 3.54 0.20 -0.19 -0.99 118.68 121.39 3it3 s LEU 285 Ca -0.08 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 54.63 3it3 s LEU 285 Cb -0.01 -0.41 0.00 0.00 -0.43 0.00 0.00 46.19 45.35 3it3 s LEU 285 CO 0.02 0.06 -0.13 -1.61 -0.29 0.00 0.00 176.35 174.41 3it3 s GLU 286 N 0.05 1.45 -0.32 1.98 8.01 0.26 -1.04 118.70 129.09 3it3 s GLU 286 Ca -0.00 -0.43 -0.12 0.00 0.01 0.00 0.00 54.97 54.42 3it3 s GLU 286 Cb -0.05 -1.27 -0.03 0.00 -4.31 0.00 0.00 34.13 28.47 3it3 s GLU 286 CO -0.00 0.13 0.22 -1.64 0.01 0.00 0.00 175.26 173.98 3it3 s MET 287 N 0.30 3.66 -0.17 1.61 -1.94 0.57 -0.63 119.30 122.69 3it3 s MET 287 Ca -0.07 -0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 3it3 s MET 287 Cb -0.12 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 3it3 s MET 287 CO 0.02 -0.35 0.05 -1.21 -0.01 0.00 0.00 175.02 173.52 3it3 s GLU 288 N 1.74 3.91 -0.18 2.03 2.02 0.06 -1.20 118.70 127.08 3it3 s GLU 288 Ca 0.06 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 3it3 s GLU 288 Cb -0.17 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 3it3 s GLU 288 CO 0.11 0.29 -0.05 -1.17 0.02 0.00 0.00 175.26 174.46 3it3 s LEU 289 N 0.30 3.04 0.08 1.80 2.96 -0.20 -1.46 118.68 125.20 3it3 s LEU 289 Ca 0.03 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3it3 s LEU 289 Cb -0.12 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3it3 s LEU 289 CO 0.01 0.09 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.65 3it3 s TYR 290 N 0.84 2.59 -0.11 5.38 2.02 0.51 -0.80 117.35 127.77 3it3 s TYR 290 Ca -0.01 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3it3 s TYR 290 Cb -0.15 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3it3 s TYR 290 CO 0.01 0.33 -0.18 0.21 -1.57 0.00 0.00 175.55 174.36 3it3 s LYS 291 N -1.81 2.46 -0.39 -0.62 2.20 0.40 -1.40 119.74 120.58 3it3 s LYS 291 Ca 0.17 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 3it3 s LYS 291 Cb -0.11 -2.03 0.12 0.00 -1.51 0.00 0.00 37.83 34.31 3it3 s LYS 291 CO 0.08 -0.02 0.18 0.34 -0.36 0.00 0.00 175.35 175.57 3it3 s ASP 292 N 0.86 3.93 1.71 1.43 -1.08 -0.12 -1.31 116.67 122.10 3it3 s ASP 292 Ca -0.08 -2.29 0.00 0.00 -0.52 0.00 0.00 52.55 49.65 3it3 s ASP 292 Cb -0.15 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.22 3it3 s ASP 292 CO -0.00 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 175.97 3it3 n GLY 293 N 4.00 3.45 0.93 2.66 0.00 -1.26 -1.54 105.19 113.43 3it3 n GLY 293 Ca 0.05 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3it3 n GLY 293 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3it3 n ASP 294 N 9.35 2.82 -4.60 1.61 5.75 -1.26 -4.87 116.55 125.34 3it3 n ASP 294 Ca 0.00 -1.90 -0.39 0.00 -0.01 0.00 0.00 54.79 52.49 3it3 n ASP 294 Cb 0.00 -0.16 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 3it3 n ASP 294 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3it3 s ILE 295 N -1.68 5.20 -0.15 2.12 -1.09 -0.59 -5.07 121.20 119.95 3it3 s ILE 295 Ca 0.35 0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.25 3it3 s ILE 295 Cb 0.21 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3it3 s ILE 295 CO 0.30 0.18 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.79 3it3 s TYR 296 N 1.98 2.90 0.13 3.97 2.02 -1.26 -0.94 117.35 126.14 3it3 s TYR 296 Ca 0.13 -0.58 0.07 0.00 -0.37 0.00 0.00 57.07 56.33 3it3 s TYR 296 Cb -0.16 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3it3 s TYR 296 CO 0.10 -0.20 -0.17 0.95 -1.57 0.00 0.00 175.55 174.66 3it3 s THR 297 N 0.51 1.54 0.01 -0.71 -4.23 -0.49 -1.62 115.64 110.65 3it3 s THR 297 Ca -0.06 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 3it3 s THR 297 Cb -0.15 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3it3 s THR 297 CO 0.04 -0.31 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.93 3it3 s VAL 298 N -1.89 1.49 0.13 2.29 1.01 0.89 -0.36 120.40 123.96 3it3 s VAL 298 Ca 0.10 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3it3 s VAL 298 Cb -0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3it3 s VAL 298 CO 0.04 0.29 -0.15 -0.54 0.00 0.00 0.00 175.10 174.75 3it3 s LYS 299 N -0.78 1.08 -0.14 2.72 1.02 -0.53 -2.44 119.74 120.66 3it3 s LYS 299 Ca 0.07 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.78 3it3 s LYS 299 Cb -0.08 -0.98 0.02 0.00 -0.52 0.00 0.00 37.83 36.26 3it3 s LYS 299 CO 0.00 0.19 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.29 3it3 s LEU 300 N -2.54 1.84 -0.09 3.17 0.20 -1.26 -0.76 118.68 119.23 3it3 s LEU 300 Ca 0.11 -0.51 0.04 0.00 0.69 0.00 0.00 54.13 54.46 3it3 s LEU 300 Cb -0.05 -1.24 -0.01 0.00 -0.43 0.00 0.00 46.19 44.47 3it3 s LEU 300 CO 0.04 0.00 -0.23 -0.60 -0.29 0.00 0.00 176.35 175.27 3it3 s ARG 301 N 1.16 2.97 -0.10 1.98 3.52 0.19 0.03 118.95 128.71 3it3 s ARG 301 Ca -0.01 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 3it3 s ARG 301 Cb -0.14 -2.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.96 3it3 s ARG 301 CO -0.06 0.24 -0.07 -0.47 -0.81 0.00 0.00 175.30 174.13 3it3 s TYR 302 N 0.20 1.35 -1.58 5.12 5.04 -0.15 -0.57 117.35 126.75 3it3 s TYR 302 Ca -0.14 -0.61 -0.09 0.00 -2.44 0.00 0.00 57.07 53.80 3it3 s TYR 302 Cb -0.17 -1.12 0.08 0.00 0.35 0.00 0.00 41.96 41.10 3it3 s TYR 302 CO 0.07 -0.43 0.48 0.09 -1.34 0.00 0.00 175.55 174.42 3it3 n ASN 303 N 4.71 -1.22 0.00 4.32 3.02 -0.16 -2.07 115.26 123.86 3it3 n ASN 303 Ca -0.15 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3it3 n ASN 303 Cb 0.50 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 3it3 n ASN 303 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it3 n GLY 304 N -1.82 0.61 2.94 7.41 0.00 -1.26 -5.03 105.19 108.04 3it3 n GLY 304 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 3it3 n GLY 304 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it3 s LYS 305 N -0.20 0.59 0.48 1.61 3.01 -0.88 -5.14 119.74 119.21 3it3 s LYS 305 Ca 0.00 -0.17 -0.23 0.00 -1.01 0.00 0.00 55.97 54.56 3it3 s LYS 305 Cb 0.00 -0.59 -0.07 0.00 -1.01 0.00 0.00 37.83 36.16 3it3 s LYS 305 CO 0.00 0.06 1.23 0.71 0.51 0.00 0.00 175.35 177.86 3it3 s TYR 306 N 0.22 2.71 -0.10 3.18 2.02 -1.26 -0.97 117.35 123.15 3it3 s TYR 306 Ca -0.02 1.48 0.04 0.00 -0.37 0.00 0.00 57.07 58.19 3it3 s TYR 306 Cb -0.07 -3.52 -0.00 0.00 -0.40 0.00 0.00 41.96 37.96 3it3 s TYR 306 CO -0.00 -1.95 -0.22 0.08 -1.57 0.00 0.00 175.55 171.89 3it3 s VAL 307 N -1.45 2.24 -0.49 0.71 1.01 0.10 -4.88 120.40 117.65 3it3 s VAL 307 Ca 0.65 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3it3 s VAL 307 Cb -0.33 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3it3 s VAL 307 CO 0.40 0.56 0.77 -1.59 0.00 0.00 0.00 175.10 175.23 3it3 s LYS 308 N 0.24 3.30 0.72 2.72 0.00 -1.26 -4.42 119.74 121.03 3it3 s LYS 308 Ca -0.15 -0.37 -0.12 0.00 0.00 0.00 0.00 55.97 55.34 3it3 s LYS 308 Cb -0.17 -4.01 0.03 0.00 0.00 0.00 0.00 37.83 33.69 3it3 s LYS 308 CO 0.07 -1.22 1.09 -0.51 0.00 0.00 0.00 175.35 174.78 3it3 s LEU 309 N 3.24 3.17 0.57 2.77 1.43 -1.26 -4.92 118.68 123.69 3it3 s LEU 309 Ca 0.25 1.85 0.26 0.00 -1.03 0.00 0.00 54.13 55.47 3it3 s LEU 309 Cb -0.14 -4.53 1.56 0.00 0.03 0.00 0.00 46.19 43.11 3it3 s LEU 309 CO 0.19 -1.81 2.10 -0.65 0.23 0.00 0.00 176.35 176.41 3it3 h PRO 310 N -0.66 0.00 -0.01 1.29 0.11 -1.92 -0.84 132.00 129.97 3it3 h PRO 310 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3it3 h PRO 310 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3it3 h PRO 310 CO 0.53 0.00 -0.10 0.44 -0.21 0.00 0.00 178.00 178.66 3it3 n ILE 311 N -4.04 0.00 -3.12 4.15 -5.35 -1.26 -4.92 119.36 104.82 3it3 n ILE 311 Ca 0.02 -0.13 -0.28 0.00 -0.27 0.00 0.00 62.75 62.08 3it3 n ILE 311 Cb 0.32 0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 3it3 n ILE 311 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3it3 s MET 312 N -2.26 3.64 0.40 6.28 -1.94 -0.32 -4.76 119.30 120.33 3it3 s MET 312 Ca 0.33 0.10 -0.03 0.00 -1.71 0.00 0.00 55.69 54.38 3it3 s MET 312 Cb 0.20 -2.55 0.09 0.00 2.01 0.00 0.00 34.83 34.58 3it3 s MET 312 CO 0.43 0.08 0.55 -0.40 -0.01 0.00 0.00 175.02 175.67 3it3 n ASP 313 N -1.33 0.40 0.30 3.03 5.68 -0.08 -4.84 116.55 119.72 3it3 n ASP 313 Ca -0.01 -1.42 0.19 0.00 -0.50 0.00 0.00 54.79 53.06 3it3 n ASP 313 Cb 0.54 -0.39 1.03 0.00 -1.14 0.00 0.00 41.12 41.17 3it3 n ASP 313 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3it3 h LYS 314 N 0.00 0.00 -0.64 0.11 5.09 -1.99 -0.43 116.57 118.71 3it3 h LYS 314 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.56 3it3 h LYS 314 Cb 0.58 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.91 3it3 h LYS 314 CO 0.16 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.61 3it3 n ASN 315 N -2.86 4.41 -3.61 7.07 5.03 -1.26 -4.92 115.26 119.12 3it3 n ASN 315 Ca -0.03 -2.48 -0.24 0.00 0.87 0.00 0.00 54.58 52.71 3it3 n ASN 315 Cb 0.11 -0.57 0.07 0.00 -1.02 0.00 0.00 39.78 38.37 3it3 n ASN 315 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3it3 n ASN 316 N 0.88 -5.54 -3.99 6.41 3.02 -0.17 -4.98 115.26 110.89 3it3 n ASN 316 Ca 0.23 -0.58 -0.09 0.00 -0.03 0.00 0.00 54.58 54.11 3it3 n ASN 316 Cb 0.85 -4.92 -0.11 0.00 -0.61 0.00 0.00 39.78 35.00 3it3 n ASN 316 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3it3 s SER 317 N -3.48 0.26 0.16 6.41 1.04 -1.26 -4.49 113.70 112.34 3it3 s SER 317 Ca 0.50 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.29 3it3 s SER 317 Cb -0.23 0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 3it3 s SER 317 CO 0.74 -0.35 0.30 0.00 0.98 0.00 0.00 173.24 174.91 3it3 s SER 319 N -2.95 5.42 0.30 0.00 1.04 -1.26 -0.08 113.70 116.17 3it3 s SER 319 Ca 0.16 1.83 -0.01 0.00 0.48 0.00 0.00 55.95 58.41 3it3 s SER 319 Cb 0.03 -2.53 0.45 0.00 0.10 0.00 0.00 66.02 64.07 3it3 s SER 319 CO -0.01 -1.41 1.89 0.25 0.98 0.00 0.00 173.24 174.93 3it3 h LEU 320 N 0.00 0.80 -0.51 2.42 5.85 -1.61 -1.64 115.31 120.62 3it3 h LEU 320 Ca -0.46 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.22 3it3 h LEU 320 Cb 1.23 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3it3 h LEU 320 CO 0.56 0.71 0.23 0.44 -0.34 0.00 0.00 178.44 180.03 3it3 h ASP 321 N 0.88 0.29 -0.83 1.25 3.32 -1.92 -0.02 116.42 119.39 3it3 h ASP 321 Ca 0.21 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3it3 h ASP 321 Cb 0.14 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3it3 h ASP 321 CO -0.02 0.20 0.40 0.00 -1.72 0.00 0.00 179.24 178.10 3it3 h ALA 322 N 1.30 1.06 -0.60 3.45 0.00 -1.80 -1.16 119.26 121.52 3it3 h ALA 322 Ca 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3it3 h ALA 322 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3it3 h ALA 322 CO -0.20 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.10 3it3 h LEU 323 N 1.17 0.88 -0.13 0.00 6.46 -0.75 -0.32 115.31 122.62 3it3 h LEU 323 Ca 0.28 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3it3 h LEU 323 Cb 0.11 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3it3 h LEU 323 CO -0.04 0.86 0.08 0.78 -0.62 0.00 0.00 178.44 179.50 3it3 h ASN 324 N 0.85 0.13 -0.75 1.25 2.35 -0.64 0.06 115.58 118.84 3it3 h ASN 324 Ca 0.19 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3it3 h ASN 324 Cb 0.30 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3it3 h ASN 324 CO -0.00 0.10 0.49 0.11 -1.65 0.00 0.00 177.43 176.48 3it3 h LYS 325 N 0.17 0.97 -0.08 0.81 6.56 -1.03 0.45 116.57 124.42 3it3 h LYS 325 Ca 0.05 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3it3 h LYS 325 Cb -0.01 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.42 3it3 h LYS 325 CO -0.02 0.64 0.02 -0.92 -2.06 0.00 0.00 179.45 177.11 3it3 h TYR 326 N 1.00 0.03 -0.76 -1.35 3.20 -0.74 -1.08 116.97 117.26 3it3 h TYR 326 Ca 0.28 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3it3 h TYR 326 Cb -0.09 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3it3 h TYR 326 CO -0.02 0.01 0.31 1.98 -1.64 0.00 0.00 178.16 178.80 3it3 h MET 327 N 0.05 1.13 -0.67 1.82 4.05 -0.68 -2.04 114.93 118.60 3it3 h MET 327 Ca 0.04 -0.20 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 3it3 h MET 327 Cb 0.03 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.59 3it3 h MET 327 CO -0.05 0.92 0.40 1.96 0.23 0.00 0.00 176.91 180.37 3it3 h GLN 328 N 1.09 0.73 -0.26 0.39 7.50 -0.62 -0.12 115.11 123.82 3it3 h GLN 328 Ca 0.25 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.29 3it3 h GLN 328 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 3it3 h GLN 328 CO -0.02 0.48 -0.14 0.66 -1.50 0.00 0.00 178.83 178.31 3it3 h SER 329 N 0.75 0.43 -0.33 1.46 4.64 -0.78 -0.51 113.55 119.21 3it3 h SER 329 Ca 0.28 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3it3 h SER 329 Cb 0.10 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3it3 h SER 329 CO -0.14 0.60 -0.09 0.40 -0.87 0.00 0.00 176.83 176.72 3it3 h ILE 330 N 0.41 1.28 -0.46 0.95 2.04 -0.64 -0.33 117.51 120.76 3it3 h ILE 330 Ca 0.08 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.82 3it3 h ILE 330 Cb 0.49 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3it3 h ILE 330 CO 0.03 0.37 0.23 0.78 0.00 0.00 0.00 178.15 179.56 3it3 h ASN 331 N 0.41 0.33 -0.55 1.72 2.35 -0.59 -2.31 115.58 116.94 3it3 h ASN 331 Ca 0.08 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3it3 h ASN 331 Cb 0.59 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3it3 h ASN 331 CO 0.03 0.23 0.07 -0.33 -1.65 0.00 0.00 177.43 175.79 3it3 h GLU 332 N 0.46 0.96 -0.90 0.81 5.08 -0.99 -1.25 114.58 118.76 3it3 h GLU 332 Ca 0.20 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3it3 h GLU 332 Cb 0.11 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3it3 h GLU 332 CO -0.15 0.91 0.59 -0.22 -1.00 0.00 0.00 179.01 179.14 3it3 h LYS 333 N 0.90 1.07 -0.33 2.33 3.64 -0.67 -3.03 116.57 120.48 3it3 h LYS 333 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3it3 h LYS 333 Cb 0.44 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3it3 h LYS 333 CO 0.01 0.71 0.00 1.19 -2.27 0.00 0.00 179.45 179.09 3it3 n PHE 334 N -4.45 0.44 -1.73 1.91 3.72 -0.90 -5.00 117.46 111.44 3it3 n PHE 334 Ca 0.12 -0.34 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 3it3 n PHE 334 Cb 0.12 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 3it3 n PHE 334 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3it3 n GLN 335 N 0.90 2.43 -3.13 -1.08 3.00 -0.50 -4.95 117.38 114.06 3it3 n GLN 335 Ca 0.14 0.86 -0.39 0.00 -0.01 0.00 0.00 57.00 57.60 3it3 n GLN 335 Cb 0.46 -2.55 -0.05 0.00 0.00 0.00 0.00 30.24 28.09 3it3 n GLN 335 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3it3 s LYS 336 N -1.33 4.38 -0.51 -1.09 -0.14 -1.26 -5.02 119.74 114.78 3it3 s LYS 336 Ca 0.59 0.86 -0.28 0.00 -1.36 0.00 0.00 55.97 55.78 3it3 s LYS 336 Cb -0.53 -3.34 0.02 0.00 -1.68 0.00 0.00 37.83 32.29 3it3 s LYS 336 CO 0.57 0.36 1.37 -1.01 -0.76 0.00 0.00 175.35 175.88 3it3 s HIS 337 N -0.22 2.39 0.50 3.18 4.02 -1.26 -5.00 115.29 118.90 3it3 s HIS 337 Ca 0.34 0.56 -0.20 0.00 1.02 0.00 0.00 55.06 56.78 3it3 s HIS 337 Cb -0.19 -4.38 -0.08 0.00 -1.02 0.00 0.00 32.58 26.91 3it3 s HIS 337 CO 0.19 -1.88 1.03 -1.01 1.02 0.00 0.00 174.74 174.10 3it3 s HIS 338 N 5.64 3.03 0.06 1.40 0.09 -1.26 -5.07 115.29 119.18 3it3 s HIS 338 Ca 0.54 1.57 0.03 0.00 -0.00 0.00 0.00 55.06 57.19 3it3 s HIS 338 Cb -0.11 -3.03 -0.03 0.00 -0.00 0.00 0.00 32.58 29.41 3it3 s HIS 338 CO 0.28 -0.80 -0.08 -1.01 -0.00 0.00 0.00 174.74 173.13 3it3 s HIS 339 N -2.09 0.82 0.60 1.40 3.76 -1.26 -5.16 115.29 113.36 3it3 s HIS 339 Ca 0.66 -0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 3it3 s HIS 339 Cb -0.15 -0.48 0.04 0.00 1.11 0.00 0.00 32.58 33.10 3it3 s HIS 339 CO 0.22 -0.07 0.85 -1.01 -0.85 0.00 0.00 174.74 173.88 3it3 s HIS 340 N -2.00 2.92 0.28 1.40 3.76 -1.26 -5.12 115.29 115.27 3it3 s HIS 340 Ca -0.02 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 3it3 s HIS 340 Cb -0.06 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 3it3 s HIS 340 CO -0.01 -1.02 0.16 -1.01 -0.85 0.00 0.00 174.74 172.02 3it3 s HIS 341 N -2.92 1.53 -2.00 1.40 3.76 -1.26 -5.34 115.29 110.46 3it3 s HIS 341 Ca 0.57 -1.38 0.23 0.00 -0.15 0.00 0.00 55.06 54.33 3it3 s HIS 341 Cb -0.10 -0.79 1.36 0.00 1.11 0.00 0.00 32.58 34.15 3it3 s HIS 341 CO 0.41 -0.56 1.73 1.58 -0.85 0.00 0.00 174.74 177.05