#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt3 h ASP 4 N 0.00 0.08 -3.72 4.39 3.32 -1.81 -3.43 116.42 115.25 2qt3 h ASP 4 Ca 0.00 -0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 2qt3 h ASP 4 Cb 0.00 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 39.23 2qt3 h ASP 4 CO 0.00 0.44 -0.73 -0.36 -1.72 0.00 0.00 179.24 176.87 2qt3 s PHE 5 N -4.22 0.19 0.16 4.55 0.08 -0.82 -4.95 117.98 112.97 2qt3 s PHE 5 Ca -0.03 -0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.06 2qt3 s PHE 5 Cb 0.14 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 2qt3 s PHE 5 CO 0.74 -0.03 1.36 -0.44 -0.10 0.00 0.00 175.22 176.75 2qt3 h ASP 6 N 6.39 0.11 -3.68 1.36 3.32 -1.36 0.00 116.42 122.57 2qt3 h ASP 6 Ca -0.30 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 2qt3 h ASP 6 Cb 1.18 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.47 2qt3 h ASP 6 CO 0.50 0.95 -0.12 -0.22 -1.72 0.00 0.00 179.24 178.63 2qt3 s LEU 7 N -7.13 -0.14 -0.04 1.55 2.96 -0.84 -0.96 118.68 114.07 2qt3 s LEU 7 Ca -0.01 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2qt3 s LEU 7 Cb 0.10 1.79 0.01 0.00 0.50 0.00 0.00 46.19 48.59 2qt3 s LEU 7 CO 0.82 -0.19 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.93 2qt3 s ILE 8 N 0.66 0.83 -0.33 6.68 1.01 0.14 -0.06 121.20 130.13 2qt3 s ILE 8 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2qt3 s ILE 8 Cb -0.05 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2qt3 s ILE 8 CO -0.04 0.27 0.11 -0.63 0.00 0.00 0.00 174.94 174.65 2qt3 s ILE 9 N 0.39 3.96 0.32 2.92 1.01 -0.59 0.00 121.20 129.21 2qt3 s ILE 9 Ca -0.07 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 2qt3 s ILE 9 Cb -0.11 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 2qt3 s ILE 9 CO 0.01 -0.12 0.89 -0.13 0.00 0.00 0.00 174.94 175.59 2qt3 s ARG 10 N 1.45 4.43 -0.84 2.79 1.81 0.46 -0.91 118.95 128.14 2qt3 s ARG 10 Ca 0.00 1.16 -0.03 0.00 -1.72 0.00 0.00 55.73 55.14 2qt3 s ARG 10 Cb -0.19 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.61 2qt3 s ARG 10 CO 0.03 0.25 0.66 0.09 -0.68 0.00 0.00 175.30 175.65 2qt3 n ASN 11 N 0.37 -5.80 -4.50 0.23 3.02 -1.20 0.59 115.26 107.96 2qt3 n ASN 11 Ca 0.02 -0.71 -0.34 0.00 -0.03 0.00 0.00 54.58 53.52 2qt3 n ASN 11 Cb 0.51 -2.98 -0.12 0.00 -0.61 0.00 0.00 39.78 36.58 2qt3 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qt3 s ALA 12 N -3.06 3.06 -0.13 5.41 0.00 0.26 0.22 121.76 127.52 2qt3 s ALA 12 Ca 0.06 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 2qt3 s ALA 12 Cb -0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2qt3 s ALA 12 CO 0.85 0.10 0.71 -0.47 0.00 0.00 0.00 175.76 176.96 2qt3 s TYR 13 N 0.55 3.48 -0.28 0.00 5.04 -0.35 -0.17 117.35 125.63 2qt3 s TYR 13 Ca -0.02 1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 2qt3 s TYR 13 Cb -0.14 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.35 2qt3 s TYR 13 CO 0.02 -0.06 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.63 2qt3 s LEU 14 N 1.44 3.59 0.25 6.97 1.43 -0.86 -1.63 118.68 129.86 2qt3 s LEU 14 Ca 0.35 -1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 2qt3 s LEU 14 Cb -0.17 -1.69 0.47 0.00 0.03 0.00 0.00 46.19 44.84 2qt3 s LEU 14 CO 0.14 -0.20 1.75 0.77 0.23 0.00 0.00 176.35 179.04 2qt3 h SER 15 N 8.00 0.41 -0.42 2.29 4.64 -1.88 0.40 113.55 126.98 2qt3 h SER 15 Ca -0.26 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2qt3 h SER 15 Cb 1.08 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2qt3 h SER 15 CO 0.55 0.18 0.16 -0.33 -0.87 0.00 0.00 176.83 176.51 2qt3 h GLU 16 N 0.54 0.70 -0.01 4.77 4.39 -1.96 -2.53 114.58 120.48 2qt3 h GLU 16 Ca 0.43 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2qt3 h GLU 16 Cb 0.60 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2qt3 h GLU 16 CO -0.37 0.61 -0.58 1.63 -1.16 0.00 0.00 179.01 179.14 2qt3 n LYS 17 N -4.33 0.82 -3.85 2.33 5.02 -0.88 -5.00 118.16 112.27 2qt3 n LYS 17 Ca 0.03 -0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 55.36 2qt3 n LYS 17 Cb 0.18 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2qt3 n LYS 17 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qt3 n ASP 18 N -0.52 -4.78 -3.61 4.39 2.03 0.13 -4.95 116.55 109.24 2qt3 n ASP 18 Ca 0.08 -1.04 -0.01 0.00 0.52 0.00 0.00 54.79 54.33 2qt3 n ASP 18 Cb 0.42 -1.92 -0.01 0.00 -0.72 0.00 0.00 41.12 38.88 2qt3 n ASP 18 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qt3 s SER 19 N -3.19 -0.09 -0.12 1.67 0.15 -1.23 -5.01 113.70 105.88 2qt3 s SER 19 Ca 0.19 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 2qt3 s SER 19 Cb -0.10 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.30 2qt3 s SER 19 CO 0.91 -0.24 0.27 -0.69 1.20 0.00 0.00 173.24 174.69 2qt3 s VAL 20 N -2.38 5.30 0.16 4.45 1.01 -1.26 -2.03 120.40 125.65 2qt3 s VAL 20 Ca 0.12 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 2qt3 s VAL 20 Cb 0.02 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2qt3 s VAL 20 CO -0.04 0.50 0.16 -0.31 0.00 0.00 0.00 175.10 175.40 2qt3 s TYR 21 N -0.27 0.78 -0.00 5.22 2.02 0.76 -4.52 117.35 121.33 2qt3 s TYR 21 Ca 0.17 -1.12 -0.02 0.00 -0.37 0.00 0.00 57.07 55.74 2qt3 s TYR 21 Cb -0.13 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2qt3 s TYR 21 CO 0.06 -0.63 0.15 -0.51 -1.57 0.00 0.00 175.55 173.04 2qt3 s ASP 22 N -3.05 6.12 -0.22 2.29 -0.00 0.25 0.91 116.67 122.96 2qt3 s ASP 22 Ca 0.26 0.27 0.01 0.00 -0.00 0.00 0.00 52.55 53.09 2qt3 s ASP 22 Cb 0.06 -1.86 0.04 0.00 -0.00 0.00 0.00 42.92 41.15 2qt3 s ASP 22 CO 0.04 0.26 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.71 2qt3 s ILE 23 N -1.29 2.30 -0.23 0.77 1.01 -0.08 -2.57 121.20 121.10 2qt3 s ILE 23 Ca 0.26 -1.21 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 2qt3 s ILE 23 Cb -0.12 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2qt3 s ILE 23 CO 0.18 0.26 0.41 -0.83 0.00 0.00 0.00 174.94 174.95 2qt3 s GLY 24 N 1.23 2.00 -0.04 6.18 0.00 0.89 -1.54 107.32 116.04 2qt3 s GLY 24 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.16 2qt3 s GLY 24 CO -0.08 0.92 -0.23 -0.42 0.00 0.00 0.00 173.10 173.30 2qt3 s ILE 25 N 1.66 1.83 -0.12 0.90 1.01 0.91 -0.83 121.20 126.55 2qt3 s ILE 25 Ca 0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2qt3 s ILE 25 Cb -0.15 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.81 2qt3 s ILE 25 CO 0.09 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.81 2qt3 s VAL 26 N -0.29 0.84 0.00 2.92 1.01 -0.69 -1.02 120.40 123.16 2qt3 s VAL 26 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2qt3 s VAL 26 Cb -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2qt3 s VAL 26 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2qt3 n GLY 27 N 4.99 2.00 1.33 4.51 0.00 -1.26 -2.42 105.19 114.34 2qt3 n GLY 27 Ca -0.11 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2qt3 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qt3 n ASP 28 N 6.38 4.67 -4.33 1.61 5.75 -1.26 -4.01 116.55 125.36 2qt3 n ASP 28 Ca 0.00 -2.93 -0.26 0.00 -0.01 0.00 0.00 54.79 51.59 2qt3 n ASP 28 Cb 0.00 -0.60 -0.13 0.00 -1.03 0.00 0.00 41.12 39.37 2qt3 n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2qt3 s ARG 29 N -2.71 1.26 -0.27 0.11 1.81 -1.01 -1.26 118.95 116.88 2qt3 s ARG 29 Ca 0.47 -1.23 -0.19 0.00 -1.72 0.00 0.00 55.73 53.06 2qt3 s ARG 29 Cb 0.37 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 33.23 2qt3 s ARG 29 CO 0.13 0.38 0.58 0.42 -0.68 0.00 0.00 175.30 176.13 2qt3 s ILE 30 N -1.10 5.01 -0.81 1.52 1.01 -1.09 -1.71 121.20 124.04 2qt3 s ILE 30 Ca 0.10 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.79 2qt3 s ILE 30 Cb -0.10 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2qt3 s ILE 30 CO 0.05 0.02 0.62 2.30 0.00 0.00 0.00 174.94 177.92 2qt3 n ILE 31 N 5.22 0.00 -3.64 2.92 -5.35 -0.01 -1.61 119.36 116.89 2qt3 n ILE 31 Ca -0.02 -0.45 -0.09 0.00 -0.27 0.00 0.00 62.75 61.92 2qt3 n ILE 31 Cb 0.49 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 2qt3 n ILE 31 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qt3 s LYS 32 N -0.96 0.61 -0.24 6.28 2.20 -0.98 -4.95 119.74 121.70 2qt3 s LYS 32 Ca 0.07 0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 2qt3 s LYS 32 Cb 0.06 0.25 0.08 0.00 -1.51 0.00 0.00 37.83 36.71 2qt3 s LYS 32 CO 0.16 -0.09 0.08 0.42 -0.36 0.00 0.00 175.35 175.55 2qt3 s ILE 33 N 0.66 0.39 -0.01 5.43 1.01 -1.26 -0.08 121.20 127.35 2qt3 s ILE 33 Ca -0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 2qt3 s ILE 33 Cb -0.05 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2qt3 s ILE 33 CO -0.08 -0.43 0.31 -1.61 0.00 0.00 0.00 174.94 173.13 2qt3 s GLU 34 N 1.89 0.69 0.32 2.79 2.02 -1.06 -4.95 118.70 120.40 2qt3 s GLU 34 Ca 0.04 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 54.88 2qt3 s GLU 34 Cb -0.17 0.31 0.91 0.00 0.10 0.00 0.00 34.13 35.28 2qt3 s GLU 34 CO -0.18 -0.20 1.64 0.00 0.02 0.00 0.00 175.26 176.54 2qt3 h ALA 35 N 3.77 1.59 -2.31 5.21 0.00 -1.86 0.73 119.26 126.38 2qt3 h ALA 35 Ca -0.30 0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2qt3 h ALA 35 Cb 1.18 0.29 -0.34 0.00 0.00 0.00 0.00 17.79 18.93 2qt3 h ALA 35 CO 0.41 -0.56 -0.57 0.21 0.00 0.00 0.00 179.25 178.73 2qt3 s LYS 36 N -5.81 0.24 -0.20 0.00 2.47 -1.26 -4.06 119.74 111.12 2qt3 s LYS 36 Ca -0.11 0.33 -0.13 0.00 -1.56 0.00 0.00 55.97 54.49 2qt3 s LYS 36 Cb 0.28 -0.94 -0.05 0.00 -1.46 0.00 0.00 37.83 35.67 2qt3 s LYS 36 CO 0.78 -0.65 0.27 0.96 0.16 0.00 0.00 175.35 176.88 2qt3 s ILE 37 N 2.40 5.30 0.49 5.43 -4.36 -1.26 -5.06 121.20 124.14 2qt3 s ILE 37 Ca 0.09 0.46 -0.04 0.00 -0.26 0.00 0.00 60.65 60.90 2qt3 s ILE 37 Cb -0.16 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 39.92 2qt3 s ILE 37 CO -0.13 0.33 0.78 -1.61 0.24 0.00 0.00 174.94 174.55 2qt3 s GLU 38 N 0.92 3.34 0.00 0.37 0.41 -1.26 -5.03 118.70 117.45 2qt3 s GLU 38 Ca 0.14 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 2qt3 s GLU 38 Cb -0.14 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 2qt3 s GLU 38 CO 0.05 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 2qt3 n GLY 39 N -2.27 3.15 3.82 -1.39 0.00 -1.26 -5.06 105.19 102.19 2qt3 n GLY 39 Ca 0.01 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2qt3 n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qt3 s THR 40 N -2.89 4.16 -0.08 2.61 -4.23 -1.26 -4.95 115.64 109.00 2qt3 s THR 40 Ca 0.00 1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.40 2qt3 s THR 40 Cb 0.00 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.32 2qt3 s THR 40 CO 0.00 -0.62 0.31 0.54 -0.54 0.00 0.00 174.62 174.31 2qt3 s VAL 41 N -2.57 0.02 -0.05 2.29 0.11 -1.26 -1.94 120.40 117.00 2qt3 s VAL 41 Ca 0.61 -0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2qt3 s VAL 41 Cb -0.13 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2qt3 s VAL 41 CO 0.36 -0.11 0.26 0.50 -3.33 0.00 0.00 175.10 172.78 2qt3 h LYS 42 N 4.95 -0.16 -6.54 1.54 3.64 -1.11 -3.47 116.57 115.41 2qt3 h LYS 42 Ca -0.28 0.01 -0.69 0.00 -1.27 0.00 0.00 60.65 58.42 2qt3 h LYS 42 Cb 1.18 0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 32.78 2qt3 h LYS 42 CO 0.34 -0.11 -0.84 -0.51 -2.27 0.00 0.00 179.45 176.06 2qt3 s ASP 43 N -4.42 3.48 0.04 4.20 1.01 -0.14 -5.00 116.67 115.84 2qt3 s ASP 43 Ca -0.02 -0.40 0.05 0.00 0.71 0.00 0.00 52.55 52.88 2qt3 s ASP 43 Cb 0.00 -0.52 -0.02 0.00 1.01 0.00 0.00 42.92 43.39 2qt3 s ASP 43 CO 0.07 0.31 -0.15 -1.61 0.21 0.00 0.00 175.17 174.00 2qt3 s GLU 44 N -0.89 1.00 -0.04 8.23 2.02 -1.26 -0.68 118.70 127.07 2qt3 s GLU 44 Ca 0.12 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.36 2qt3 s GLU 44 Cb -0.10 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.13 2qt3 s GLU 44 CO 0.01 0.25 -0.05 0.42 0.02 0.00 0.00 175.26 175.91 2qt3 s ILE 45 N -0.81 0.59 -0.42 -1.63 -1.09 0.10 -4.94 121.20 113.01 2qt3 s ILE 45 Ca 0.02 -0.17 -0.15 0.00 -2.23 0.00 0.00 60.65 58.13 2qt3 s ILE 45 Cb -0.08 -0.60 0.02 0.00 -1.58 0.00 0.00 42.46 40.23 2qt3 s ILE 45 CO 0.01 0.23 0.31 -0.62 -1.23 0.00 0.00 174.94 173.64 2qt3 s ASP 46 N 0.81 6.11 0.04 3.58 -1.08 -1.26 0.17 116.67 125.04 2qt3 s ASP 46 Ca -0.11 -0.93 0.21 0.00 -0.52 0.00 0.00 52.55 51.19 2qt3 s ASP 46 Cb -0.14 -2.16 0.87 0.00 -1.46 0.00 0.00 42.92 40.03 2qt3 s ASP 46 CO 0.01 -0.47 1.66 0.00 0.52 0.00 0.00 175.17 176.89 2qt3 n ALA 47 N 5.17 1.92 -3.28 3.66 0.00 0.20 -4.89 120.51 123.28 2qt3 n ALA 47 Ca -0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2qt3 n ALA 47 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2qt3 n ALA 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qt3 n LYS 48 N -1.61 -3.64 -0.69 0.00 5.02 -1.20 -0.78 118.16 115.27 2qt3 n LYS 48 Ca 0.05 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2qt3 n LYS 48 Cb 0.25 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 2qt3 n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qt3 n GLY 49 N -1.23 1.12 3.88 0.72 0.00 0.13 -5.04 105.19 104.78 2qt3 n GLY 49 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2qt3 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qt3 s ASN 50 N -3.09 5.37 0.35 1.61 0.01 0.04 -4.20 114.94 115.03 2qt3 s ASN 50 Ca 0.00 1.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.97 2qt3 s ASN 50 Cb 0.00 -1.87 -0.11 0.00 0.41 0.00 0.00 41.25 39.68 2qt3 s ASN 50 CO 0.00 -1.39 1.40 -0.22 -1.51 0.00 0.00 177.10 175.39 2qt3 s LEU 51 N -5.38 4.37 -0.08 0.60 2.96 0.38 -1.21 118.68 120.32 2qt3 s LEU 51 Ca 0.58 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 57.37 2qt3 s LEU 51 Cb -0.11 -3.66 0.02 0.00 0.50 0.00 0.00 46.19 42.94 2qt3 s LEU 51 CO 0.52 -0.71 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 2qt3 s VAL 52 N -1.08 0.90 0.27 1.68 1.01 -0.65 -1.48 120.40 121.05 2qt3 s VAL 52 Ca 0.51 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2qt3 s VAL 52 Cb -0.43 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2qt3 s VAL 52 CO 0.58 0.33 0.06 -0.94 0.00 0.00 0.00 175.10 175.12 2qt3 s SER 53 N 1.32 1.68 0.95 3.32 1.04 -0.55 -4.63 113.70 116.83 2qt3 s SER 53 Ca -0.03 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 54.95 2qt3 s SER 53 Cb -0.14 0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.19 2qt3 s SER 53 CO -0.03 -0.63 1.09 -2.16 0.98 0.00 0.00 173.24 172.48 2qt3 s PRO 54 N -3.95 0.85 0.44 4.02 0.04 -1.26 -0.52 135.00 134.63 2qt3 s PRO 54 Ca 0.34 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 2qt3 s PRO 54 Cb 0.07 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 2qt3 s PRO 54 CO 0.12 -2.50 1.44 0.41 0.04 0.00 0.00 177.00 176.51 2qt3 n GLY 55 N -0.99 1.03 3.80 0.56 0.00 -1.13 -4.52 105.19 103.93 2qt3 n GLY 55 Ca 0.06 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2qt3 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt3 s PHE 56 N -1.18 2.92 -0.25 1.61 0.08 -0.28 -4.73 117.98 116.16 2qt3 s PHE 56 Ca 0.60 1.53 0.01 0.00 0.12 0.00 0.00 56.93 59.19 2qt3 s PHE 56 Cb -0.45 -3.06 0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2qt3 s PHE 56 CO 0.58 -1.15 -0.10 0.08 -0.10 0.00 0.00 175.22 174.54 2qt3 s VAL 57 N -2.26 2.43 -0.80 -0.44 1.01 -0.78 -2.05 120.40 117.51 2qt3 s VAL 57 Ca 0.66 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2qt3 s VAL 57 Cb -0.17 -2.31 0.18 0.00 0.00 0.00 0.00 36.38 34.07 2qt3 s VAL 57 CO 0.32 0.11 0.81 -0.62 0.00 0.00 0.00 175.10 175.72 2qt3 s ASP 58 N 1.20 6.61 0.00 3.32 -1.08 -0.67 -4.65 116.67 121.41 2qt3 s ASP 58 Ca -0.04 -2.32 0.11 0.00 -0.52 0.00 0.00 52.55 49.78 2qt3 s ASP 58 Cb -0.18 -2.26 0.66 0.00 -1.46 0.00 0.00 42.92 39.67 2qt3 s ASP 58 CO -0.06 -0.77 1.18 0.00 0.52 0.00 0.00 175.17 176.04 2qt3 n ALA 59 N 4.92 2.23 -3.15 3.66 0.00 -0.85 -2.32 120.51 125.01 2qt3 n ALA 59 Ca 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2qt3 n ALA 59 Cb 0.46 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 2qt3 n ALA 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qt3 s HIS 60 N -2.00 -1.28 0.23 0.00 5.65 -1.20 -4.46 115.29 112.23 2qt3 s HIS 60 Ca 0.16 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.60 2qt3 s HIS 60 Cb 0.08 0.36 -0.04 0.00 -1.18 0.00 0.00 32.58 31.79 2qt3 s HIS 60 CO 0.13 -0.72 0.12 0.95 -0.65 0.00 0.00 174.74 174.57 2qt3 s THR 61 N 2.89 0.26 -0.46 0.89 -4.23 -0.12 -0.67 115.64 114.20 2qt3 s THR 61 Ca 0.14 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 2qt3 s THR 61 Cb -0.11 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.45 2qt3 s THR 61 CO -0.20 0.00 0.67 1.41 -0.54 0.00 0.00 174.62 175.96 2qt3 n HIS 62 N -0.38 1.15 -0.31 3.99 8.25 -1.26 -0.11 115.22 126.55 2qt3 n HIS 62 Ca 0.01 -3.80 0.11 0.00 -0.26 0.00 0.00 57.72 53.77 2qt3 n HIS 62 Cb 0.66 -0.43 0.32 0.00 1.12 0.00 0.00 29.99 31.67 2qt3 n HIS 62 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2qt3 h MET 63 N 3.65 0.78 -0.29 -0.41 2.86 -1.94 -2.85 114.93 116.74 2qt3 h MET 63 Ca 0.11 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2qt3 h MET 63 Cb 0.81 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2qt3 h MET 63 CO 0.59 0.52 0.19 0.38 1.06 0.00 0.00 176.91 179.66 2qt3 h ASP 64 N 0.81 0.18 -0.19 1.22 2.03 -1.87 -2.85 116.42 115.75 2qt3 h ASP 64 Ca 0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 2qt3 h ASP 64 Cb 0.68 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2qt3 h ASP 64 CO -0.25 0.13 0.00 2.29 -1.03 0.00 0.00 179.24 180.37 2qt3 n LYS 65 N -4.49 1.76 -1.48 4.15 2.85 -1.09 -4.77 118.16 115.09 2qt3 n LYS 65 Ca 0.03 -1.63 -0.33 0.00 -1.05 0.00 0.00 58.31 55.33 2qt3 n LYS 65 Cb 0.21 -1.24 0.08 0.00 -0.65 0.00 0.00 35.03 33.42 2qt3 n LYS 65 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2qt3 s SER 66 N -0.97 4.48 -0.28 -5.58 1.04 -1.08 -3.47 113.70 107.85 2qt3 s SER 66 Ca 0.18 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2qt3 s SER 66 Cb 0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2qt3 s SER 66 CO 0.15 -2.06 0.00 0.49 0.98 0.00 0.00 173.24 172.80 2qt3 n PHE 67 N -2.81 0.00 0.46 5.02 3.72 -0.35 -4.86 117.46 118.65 2qt3 n PHE 67 Ca 0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 2qt3 n PHE 67 Cb 0.51 -1.72 0.46 0.00 -0.94 0.00 0.00 39.48 37.80 2qt3 n PHE 67 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qt3 h THR 68 N 0.00 0.00 -0.00 4.37 1.35 -1.37 -2.87 112.91 114.39 2qt3 h THR 68 Ca -0.05 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2qt3 h THR 68 Cb 0.80 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2qt3 h THR 68 CO 0.08 0.00 -0.25 -1.54 -0.25 0.00 0.00 175.52 173.56 2qt3 n SER 69 N -2.35 0.59 -4.88 5.36 3.41 -0.50 -4.88 113.62 110.38 2qt3 n SER 69 Ca 0.03 -0.46 -0.30 0.00 -0.26 0.00 0.00 58.87 57.89 2qt3 n SER 69 Cb 0.32 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2qt3 n SER 69 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qt3 s THR 70 N -2.69 4.76 0.00 6.66 -4.23 -1.09 -1.26 115.64 117.80 2qt3 s THR 70 Ca 0.21 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 2qt3 s THR 70 Cb 0.19 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2qt3 s THR 70 CO 0.56 -1.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2qt3 n GLY 71 N -2.46 0.84 3.85 3.99 0.00 -1.26 -4.92 105.19 105.23 2qt3 n GLY 71 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2qt3 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qt3 s GLU 72 N 0.00 2.28 0.28 1.61 0.41 -1.26 -5.02 118.70 117.00 2qt3 s GLU 72 Ca 0.00 -1.96 -0.03 0.00 -0.41 0.00 0.00 54.97 52.57 2qt3 s GLU 72 Cb 0.00 -2.05 0.39 0.00 -1.78 0.00 0.00 34.13 30.68 2qt3 s GLU 72 CO 0.00 -0.43 1.93 -0.09 -0.49 0.00 0.00 175.26 176.18 2qt3 h ARG 73 N 0.99 1.17 -6.47 1.61 9.65 -2.00 -3.42 114.38 115.92 2qt3 h ARG 73 Ca -0.39 -0.07 -0.63 0.00 -1.10 0.00 0.00 59.98 57.79 2qt3 h ARG 73 Cb 1.29 -0.26 -0.15 0.00 -1.39 0.00 0.00 29.97 29.45 2qt3 h ARG 73 CO 0.62 0.78 -0.75 -0.51 2.80 0.00 0.00 179.97 182.90 2qt3 s LEU 74 N -10.06 2.79 0.26 3.80 1.43 -1.26 -5.10 118.68 110.55 2qt3 s LEU 74 Ca -0.12 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 2qt3 s LEU 74 Cb 0.19 -1.47 -0.11 0.00 0.03 0.00 0.00 46.19 44.83 2qt3 s LEU 74 CO 0.81 0.10 1.59 -2.84 0.23 0.00 0.00 176.35 176.23 2qt3 s PRO 75 N -2.88 4.15 0.72 1.29 0.02 -1.26 -4.87 135.00 132.17 2qt3 s PRO 75 Ca 0.24 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.67 2qt3 s PRO 75 Cb -0.08 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.41 2qt3 s PRO 75 CO 0.14 -0.62 1.07 0.15 -0.33 0.00 0.00 177.00 177.41 2qt3 s LYS 76 N -0.06 2.70 0.00 5.54 1.02 -0.39 -3.58 119.74 124.97 2qt3 s LYS 76 Ca 0.65 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.68 2qt3 s LYS 76 Cb -0.47 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 2qt3 s LYS 76 CO 0.43 -1.29 0.00 1.19 -0.92 0.00 0.00 175.35 174.76 2qt3 n PHE 77 N -3.23 0.00 -0.22 3.18 3.72 -1.26 -4.79 117.46 114.86 2qt3 n PHE 77 Ca 0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 2qt3 n PHE 77 Cb 0.53 -0.30 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 2qt3 n PHE 77 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 2qt3 n TRP 78 N -2.00 0.34 0.00 1.38 7.02 -1.23 -4.55 117.44 118.40 2qt3 n TRP 78 Ca 0.00 -0.55 -0.09 0.00 -1.02 0.00 0.00 57.50 55.85 2qt3 n TRP 78 Cb 0.00 -0.06 0.10 0.00 -2.42 0.00 0.00 31.31 28.93 2qt3 n TRP 78 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2qt3 n SER 79 N 0.05 3.32 -3.63 -0.99 7.64 -1.26 -4.78 113.62 113.97 2qt3 n SER 79 Ca 0.09 -2.69 -0.16 0.00 1.01 0.00 0.00 58.87 57.13 2qt3 n SER 79 Cb 0.42 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2qt3 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qt3 s ARG 80 N -1.56 0.86 0.32 1.43 1.70 -1.26 -5.14 118.95 115.30 2qt3 s ARG 80 Ca 0.26 0.25 -0.26 0.00 -0.47 0.00 0.00 55.73 55.50 2qt3 s ARG 80 Cb 0.22 0.40 -0.14 0.00 -0.57 0.00 0.00 34.95 34.86 2qt3 s ARG 80 CO 0.05 -0.23 0.87 -0.35 -1.08 0.00 0.00 175.30 174.56 2qt3 n PRO 81 N 1.43 1.05 -2.00 3.89 -0.04 -1.26 -4.87 135.00 133.20 2qt3 n PRO 81 Ca -0.19 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 2qt3 n PRO 81 Cb 0.56 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 2qt3 n PRO 81 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2qt3 s TYR 82 N -1.16 3.07 -0.14 0.54 5.04 -1.26 -5.02 117.35 118.42 2qt3 s TYR 82 Ca 0.61 0.87 -0.07 0.00 -2.44 0.00 0.00 57.07 56.03 2qt3 s TYR 82 Cb -0.69 -3.84 0.05 0.00 0.35 0.00 0.00 41.96 37.83 2qt3 s TYR 82 CO 0.59 -2.90 0.33 -0.08 -1.34 0.00 0.00 175.55 172.14 2qt3 s THR 83 N 0.56 -0.03 0.32 4.34 -1.32 -1.26 -5.05 115.64 113.20 2qt3 s THR 83 Ca 0.64 0.11 0.07 0.00 -1.21 0.00 0.00 61.69 61.30 2qt3 s THR 83 Cb -0.42 -0.49 0.31 0.00 -1.51 0.00 0.00 72.50 70.39 2qt3 s THR 83 CO 0.37 0.05 1.81 -0.09 -2.21 0.00 0.00 174.62 174.55 2qt3 h ARG 84 N 7.07 0.74 -0.32 7.08 2.43 -1.99 -2.17 114.38 127.22 2qt3 h ARG 84 Ca -0.38 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 2qt3 h ARG 84 Cb 1.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2qt3 h ARG 84 CO 0.33 0.49 0.01 -0.44 -1.51 0.00 0.00 179.97 178.85 2qt3 h ASP 85 N 0.76 0.54 0.33 -3.80 3.32 -1.99 -0.49 116.42 115.10 2qt3 h ASP 85 Ca 0.53 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 2qt3 h ASP 85 Cb 0.82 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2qt3 h ASP 85 CO -0.30 0.71 -0.30 0.00 -1.72 0.00 0.00 179.24 177.62 2qt3 h ALA 86 N 0.85 1.46 -0.03 3.45 0.00 -1.85 -0.15 119.26 122.98 2qt3 h ALA 86 Ca 0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2qt3 h ALA 86 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qt3 h ALA 86 CO 0.01 0.38 -0.95 0.00 0.00 0.00 0.00 179.25 178.69 2qt3 h ALA 87 N 1.70 0.25 -0.40 0.00 0.00 -1.19 -1.71 119.26 117.90 2qt3 h ALA 87 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2qt3 h ALA 87 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2qt3 h ALA 87 CO 0.04 0.72 -0.24 0.82 0.00 0.00 0.00 179.25 180.59 2qt3 h ILE 88 N 0.38 1.27 0.35 0.00 2.04 -0.71 -2.49 117.51 118.35 2qt3 h ILE 88 Ca -0.10 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 2qt3 h ILE 88 Cb 1.59 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2qt3 h ILE 88 CO 0.18 0.46 -0.17 -0.33 0.00 0.00 0.00 178.15 178.29 2qt3 h GLU 89 N 0.70 -0.46 -1.02 2.37 5.08 -1.02 -2.38 114.58 117.86 2qt3 h GLU 89 Ca 0.09 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.73 2qt3 h GLU 89 Cb 0.77 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 2qt3 h GLU 89 CO 0.06 -0.20 0.66 -0.44 -1.00 0.00 0.00 179.01 178.09 2qt3 h ASP 90 N -0.65 0.45 -0.42 1.42 3.32 -1.25 0.21 116.42 119.51 2qt3 h ASP 90 Ca -0.05 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 2qt3 h ASP 90 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2qt3 h ASP 90 CO 0.08 0.11 -0.24 1.23 -1.72 0.00 0.00 179.24 178.70 2qt3 h GLY 91 N 0.41 1.01 0.89 2.75 0.00 -1.16 -1.77 103.07 105.20 2qt3 h GLY 91 Ca 0.57 -0.90 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 2qt3 h GLY 91 CO -0.28 0.82 -0.08 1.41 0.00 0.00 0.00 176.54 178.42 2qt3 h LEU 92 N 0.80 0.58 0.44 3.11 3.38 -0.13 -1.88 115.31 121.61 2qt3 h LEU 92 Ca 0.10 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2qt3 h LEU 92 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qt3 h LEU 92 CO 0.07 0.81 -0.29 0.11 0.09 0.00 0.00 178.44 179.23 2qt3 h LYS 93 N 0.34 -0.69 -0.12 1.13 6.56 -1.11 -1.84 116.57 120.84 2qt3 h LYS 93 Ca 0.07 0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2qt3 h LYS 93 Cb 0.56 0.16 -0.06 0.00 -0.57 0.00 0.00 32.23 32.31 2qt3 h LYS 93 CO 0.03 -0.46 -0.39 -0.92 -2.06 0.00 0.00 179.45 175.66 2qt3 h TYR 94 N -0.71 -1.09 0.00 -1.35 3.20 -1.30 -1.05 116.97 114.67 2qt3 h TYR 94 Ca -0.05 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2qt3 h TYR 94 Cb 0.59 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 2qt3 h TYR 94 CO -0.11 -0.45 -0.03 1.88 -1.64 0.00 0.00 178.16 177.81 2qt3 h TYR 95 N -0.47 0.00 0.03 -3.82 -1.99 -1.33 0.94 116.97 110.34 2qt3 h TYR 95 Ca 0.08 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 2qt3 h TYR 95 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 2qt3 h TYR 95 CO -0.46 0.03 -0.01 -0.22 -0.00 0.00 0.00 178.16 177.50 2qt3 h LYS 96 N 0.00 -0.04 0.00 4.88 3.64 -0.35 -3.38 116.57 121.33 2qt3 h LYS 96 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qt3 h LYS 96 Cb 0.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2qt3 h LYS 96 CO 0.00 0.67 -0.72 -0.91 -2.27 0.00 0.00 179.45 176.23 2qt3 h ASN 97 N -0.85 0.00 -3.35 4.20 4.21 -1.15 -3.48 115.58 115.16 2qt3 h ASN 97 Ca -0.00 -0.21 -0.53 0.00 1.21 0.00 0.00 56.30 56.77 2qt3 h ASN 97 Cb 0.72 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.98 2qt3 h ASN 97 CO 0.01 0.11 0.75 0.00 -1.29 0.00 0.00 177.43 177.00 2qt3 s ALA 98 N -3.19 3.62 0.56 -0.83 0.00 0.31 -5.02 121.76 117.21 2qt3 s ALA 98 Ca 0.05 1.29 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 2qt3 s ALA 98 Cb 0.13 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2qt3 s ALA 98 CO 0.74 -0.71 0.85 0.95 0.00 0.00 0.00 175.76 177.60 2qt3 s THR 99 N 0.08 3.75 0.22 0.00 -4.23 -1.26 -4.96 115.64 109.24 2qt3 s THR 99 Ca 0.59 -0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 2qt3 s THR 99 Cb -0.41 -3.47 0.18 0.00 1.34 0.00 0.00 72.50 70.14 2qt3 s THR 99 CO 0.42 -0.45 1.88 -0.74 -0.54 0.00 0.00 174.62 175.18 2qt3 h HIS 100 N -0.06 0.99 0.00 3.99 2.76 -1.95 -2.17 115.15 118.72 2qt3 h HIS 100 Ca -0.46 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.65 2qt3 h HIS 100 Cb 1.25 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 2qt3 h HIS 100 CO 0.47 0.60 -0.45 0.93 -1.30 0.00 0.00 177.93 178.19 2qt3 h GLU 101 N 1.05 0.00 0.12 5.26 4.39 -1.99 -2.24 114.58 121.17 2qt3 h GLU 101 Ca 0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2qt3 h GLU 101 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2qt3 h GLU 101 CO -0.08 0.45 -0.06 0.93 -1.16 0.00 0.00 179.01 179.09 2qt3 h GLU 102 N 0.00 -0.15 -0.64 2.33 5.08 -1.79 -2.06 114.58 117.36 2qt3 h GLU 102 Ca -0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2qt3 h GLU 102 Cb 0.83 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2qt3 h GLU 102 CO 0.06 0.11 0.42 0.82 -1.00 0.00 0.00 179.01 179.41 2qt3 h ILE 103 N -0.40 1.17 -0.65 3.13 2.04 -1.39 -2.41 117.51 118.99 2qt3 h ILE 103 Ca -0.02 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2qt3 h ILE 103 Cb 0.33 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2qt3 h ILE 103 CO 0.03 0.16 0.22 0.50 0.00 0.00 0.00 178.15 179.06 2qt3 h LYS 104 N 0.86 1.00 -0.10 2.37 3.64 -1.38 -1.95 116.57 121.01 2qt3 h LYS 104 Ca 0.23 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2qt3 h LYS 104 Cb -0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2qt3 h LYS 104 CO -0.05 0.86 -0.26 0.07 -2.27 0.00 0.00 179.45 177.81 2qt3 h ARG 105 N 0.93 0.17 -0.30 1.90 0.11 -1.15 -1.37 114.38 114.67 2qt3 h ARG 105 Ca 0.21 -0.05 -0.11 0.00 0.10 0.00 0.00 59.98 60.13 2qt3 h ARG 105 Cb 0.27 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2qt3 h ARG 105 CO -0.01 0.42 -0.23 0.45 0.10 0.00 0.00 179.97 180.70 2qt3 h HIS 106 N 0.16 0.81 -0.85 4.08 3.86 -1.08 -0.45 115.15 121.67 2qt3 h HIS 106 Ca 0.03 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2qt3 h HIS 106 Cb 0.54 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 2qt3 h HIS 106 CO 0.01 0.95 0.56 0.28 0.86 0.00 0.00 177.93 180.59 2qt3 h VAL 107 N 0.43 1.22 -0.30 2.45 2.07 -0.95 -0.53 116.25 120.64 2qt3 h VAL 107 Ca 0.06 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 2qt3 h VAL 107 Cb 0.79 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2qt3 h VAL 107 CO 0.06 0.21 -0.38 0.40 0.02 0.00 0.00 177.57 177.89 2qt3 h ILE 108 N 1.15 1.29 -0.27 4.57 2.04 -1.13 -0.59 117.51 124.58 2qt3 h ILE 108 Ca 0.31 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 2qt3 h ILE 108 Cb -0.13 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2qt3 h ILE 108 CO -0.07 0.50 0.13 -0.33 0.00 0.00 0.00 178.15 178.38 2qt3 h GLU 109 N 0.57 0.38 0.16 2.37 5.08 -0.62 -1.37 114.58 121.16 2qt3 h GLU 109 Ca 0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2qt3 h GLU 109 Cb 0.91 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2qt3 h GLU 109 CO 0.08 0.36 -0.21 1.25 -1.00 0.00 0.00 179.01 179.49 2qt3 h HIS 110 N 0.30 -0.56 -0.54 4.33 2.76 -0.92 -1.49 115.15 119.04 2qt3 h HIS 110 Ca 0.09 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2qt3 h HIS 110 Cb 0.10 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 2qt3 h HIS 110 CO -0.02 -0.31 0.23 0.00 -1.30 0.00 0.00 177.93 176.53 2qt3 h ALA 111 N 0.33 0.69 -0.64 5.26 0.00 -0.98 -0.61 119.26 123.31 2qt3 h ALA 111 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qt3 h ALA 111 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2qt3 h ALA 111 CO -0.08 -0.15 0.33 0.45 0.00 0.00 0.00 179.25 179.79 2qt3 h HIS 112 N 0.44 0.90 -0.47 0.00 -0.00 -1.05 -0.49 115.15 114.48 2qt3 h HIS 112 Ca 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2qt3 h HIS 112 Cb 0.24 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 2qt3 h HIS 112 CO -0.14 0.66 0.27 1.98 -0.00 0.00 0.00 177.93 180.71 2qt3 h MET 113 N 0.87 0.66 0.10 2.45 -1.53 -0.66 -1.63 114.93 115.19 2qt3 h MET 113 Ca 0.22 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.41 2qt3 h MET 113 Cb 0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 2qt3 h MET 113 CO -0.03 0.51 -0.05 1.96 0.14 0.00 0.00 176.91 179.43 2qt3 h GLN 114 N 0.63 -0.13 -0.78 0.39 4.20 -0.73 -3.05 115.11 115.63 2qt3 h GLN 114 Ca 0.17 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.96 2qt3 h GLN 114 Cb 0.03 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 2qt3 h GLN 114 CO -0.03 -0.04 0.45 0.28 -0.67 0.00 0.00 178.83 178.83 2qt3 h VAL 115 N -0.20 0.98 -0.10 -0.54 2.07 -0.97 -0.73 116.25 116.75 2qt3 h VAL 115 Ca -0.01 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2qt3 h VAL 115 Cb 0.16 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2qt3 h VAL 115 CO 0.02 0.15 0.09 -0.07 0.02 0.00 0.00 177.57 177.78 2qt3 h LEU 116 N 0.81 0.00 -1.90 2.57 3.38 -1.20 -1.35 115.31 117.62 2qt3 h LEU 116 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2qt3 h LEU 116 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qt3 h LEU 116 CO -0.20 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.74 2qt3 n HIS 117 N -4.05 0.36 -0.09 1.13 8.25 -0.35 -4.72 115.22 115.74 2qt3 n HIS 117 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2qt3 n HIS 117 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2qt3 n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qt3 n GLY 118 N 1.38 0.59 3.68 -1.41 0.00 -0.51 -4.73 105.19 104.20 2qt3 n GLY 118 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qt3 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qt3 s THR 119 N -2.15 4.83 -0.09 2.61 2.01 -0.77 -1.12 115.64 120.95 2qt3 s THR 119 Ca 0.00 1.87 0.01 0.00 0.31 0.00 0.00 61.69 63.88 2qt3 s THR 119 Cb 0.00 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 2qt3 s THR 119 CO 0.00 0.02 0.29 0.18 -0.69 0.00 0.00 174.62 174.42 2qt3 n LEU 120 N 5.06 0.58 -3.87 4.42 4.77 -0.87 -3.62 117.00 123.47 2qt3 n LEU 120 Ca 0.07 -0.75 -0.14 0.00 -0.03 0.00 0.00 56.01 55.15 2qt3 n LEU 120 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2qt3 n LEU 120 CO 0.50 0.14 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.02 2qt3 s TYR 121 N -0.58 0.20 0.01 -1.77 2.02 -1.19 -1.16 117.35 114.87 2qt3 s TYR 121 Ca 0.01 -0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.45 2qt3 s TYR 121 Cb 0.01 -0.19 0.05 0.00 -0.40 0.00 0.00 41.96 41.43 2qt3 s TYR 121 CO 0.03 -0.04 0.55 -0.08 -1.57 0.00 0.00 175.55 174.44 2qt3 s THR 122 N 0.28 0.02 -0.24 -0.71 -1.32 -0.62 -1.68 115.64 111.38 2qt3 s THR 122 Ca -0.02 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 2qt3 s THR 122 Cb -0.05 -0.93 0.05 0.00 -1.51 0.00 0.00 72.50 70.06 2qt3 s THR 122 CO -0.01 -0.10 -0.11 -0.60 -2.21 0.00 0.00 174.62 171.60 2qt3 s ARG 123 N -1.87 2.16 0.05 7.08 3.52 -0.98 -1.15 118.95 127.76 2qt3 s ARG 123 Ca -0.08 -1.16 0.01 0.00 -0.13 0.00 0.00 55.73 54.37 2qt3 s ARG 123 Cb -0.01 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2qt3 s ARG 123 CO 0.03 -0.52 0.11 -0.08 -0.81 0.00 0.00 175.30 174.03 2qt3 s THR 124 N 1.22 4.80 -0.12 4.11 -1.32 0.09 -0.95 115.64 123.47 2qt3 s THR 124 Ca -0.06 -0.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 2qt3 s THR 124 Cb -0.19 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 2qt3 s THR 124 CO -0.06 0.19 0.04 -1.00 -2.21 0.00 0.00 174.62 171.58 2qt3 s HIS 125 N -1.37 3.26 -0.14 9.09 3.76 0.84 -0.65 115.29 130.09 2qt3 s HIS 125 Ca 0.29 0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.40 2qt3 s HIS 125 Cb -0.12 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 2qt3 s HIS 125 CO 0.21 0.41 -0.16 0.08 -0.85 0.00 0.00 174.74 174.43 2qt3 s VAL 126 N -0.49 2.69 0.13 -0.90 1.01 -0.16 -4.51 120.40 118.17 2qt3 s VAL 126 Ca 0.10 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2qt3 s VAL 126 Cb -0.12 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 2qt3 s VAL 126 CO 0.02 0.52 1.77 -1.81 0.00 0.00 0.00 175.10 175.60 2qt3 s ASP 127 N 0.62 6.46 -0.25 3.32 1.11 -1.26 -1.50 116.67 125.16 2qt3 s ASP 127 Ca -0.09 2.72 -0.01 0.00 0.18 0.00 0.00 52.55 55.35 2qt3 s ASP 127 Cb -0.16 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.34 2qt3 s ASP 127 CO 0.03 -0.97 0.05 -0.69 1.18 0.00 0.00 175.17 174.76 2qt3 s VAL 128 N 2.37 0.85 0.09 -1.27 1.01 -0.04 -4.68 120.40 118.73 2qt3 s VAL 128 Ca 0.78 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2qt3 s VAL 128 Cb -0.45 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2qt3 s VAL 128 CO 0.35 -0.39 0.13 -0.90 0.00 0.00 0.00 175.10 174.29 2qt3 n ASP 129 N 4.90 -0.35 0.00 3.32 5.68 -1.26 -3.91 116.55 124.93 2qt3 n ASP 129 Ca -0.07 -1.51 0.12 0.00 -0.50 0.00 0.00 54.79 52.83 2qt3 n ASP 129 Cb 0.44 0.67 0.61 0.00 -1.14 0.00 0.00 41.12 41.71 2qt3 n ASP 129 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qt3 n SER 130 N -2.04 0.00 -0.11 -1.12 3.41 -1.26 -0.59 113.62 111.91 2qt3 n SER 130 Ca 0.00 -0.07 -0.21 0.00 -0.26 0.00 0.00 58.87 58.33 2qt3 n SER 130 Cb 0.16 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 63.71 2qt3 n SER 130 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qt3 n VAL 131 N -1.28 1.54 0.08 -3.33 0.31 -1.26 -4.47 118.33 109.92 2qt3 n VAL 131 Ca 0.12 -0.52 0.04 0.00 -0.01 0.00 0.00 64.34 63.97 2qt3 n VAL 131 Cb 0.19 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 2qt3 n VAL 131 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qt3 h ALA 132 N -0.22 0.64 -0.82 3.52 0.00 -1.80 -3.41 119.26 117.16 2qt3 h ALA 132 Ca -0.58 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2qt3 h ALA 132 Cb 1.83 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2qt3 h ALA 132 CO -0.14 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.29 2qt3 n LYS 133 N -2.90 0.00 -0.05 0.00 4.76 0.25 -1.39 118.16 118.83 2qt3 n LYS 133 Ca -0.04 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2qt3 n LYS 133 Cb 0.72 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.96 2qt3 n LYS 133 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qt3 n THR 134 N 0.00 1.12 -0.01 -0.18 -2.24 -1.26 -4.18 114.28 107.53 2qt3 n THR 134 Ca 0.00 -1.14 -0.10 0.00 -2.27 0.00 0.00 64.05 60.54 2qt3 n THR 134 Cb 0.00 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 2qt3 n THR 134 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qt3 h LYS 135 N 0.40 -0.00 -0.61 -0.78 3.64 -1.60 0.62 116.57 118.25 2qt3 h LYS 135 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2qt3 h LYS 135 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2qt3 h LYS 135 CO 0.01 -0.00 0.05 0.00 -2.27 0.00 0.00 179.45 177.24 2qt3 h ALA 136 N 1.13 0.95 -0.49 5.00 0.00 -1.84 -2.50 119.26 121.50 2qt3 h ALA 136 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2qt3 h ALA 136 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2qt3 h ALA 136 CO -0.13 0.65 0.28 0.28 0.00 0.00 0.00 179.25 180.32 2qt3 h VAL 137 N 0.95 1.17 -0.34 0.00 2.07 -1.71 -1.83 116.25 116.55 2qt3 h VAL 137 Ca 0.18 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2qt3 h VAL 137 Cb 0.47 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2qt3 h VAL 137 CO 0.02 0.17 0.19 -0.33 0.02 0.00 0.00 177.57 177.64 2qt3 h GLU 138 N 0.65 0.47 -0.76 1.57 5.08 -0.71 -1.60 114.58 119.28 2qt3 h GLU 138 Ca 0.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2qt3 h GLU 138 Cb 0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2qt3 h GLU 138 CO -0.03 0.38 0.35 0.00 -1.00 0.00 0.00 179.01 178.71 2qt3 h ALA 139 N 1.06 0.98 -0.13 3.43 0.00 -1.33 -1.57 119.26 121.70 2qt3 h ALA 139 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2qt3 h ALA 139 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2qt3 h ALA 139 CO -0.02 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 2qt3 h VAL 140 N 1.07 1.26 -0.60 0.00 2.07 -1.17 -0.97 116.25 117.93 2qt3 h VAL 140 Ca 0.26 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2qt3 h VAL 140 Cb 0.14 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2qt3 h VAL 140 CO -0.03 0.25 0.26 -0.07 0.02 0.00 0.00 177.57 178.00 2qt3 h LEU 141 N -0.05 0.77 0.30 2.57 3.38 -1.23 0.23 115.31 121.28 2qt3 h LEU 141 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2qt3 h LEU 141 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qt3 h LEU 141 CO 0.01 0.67 -0.14 -0.08 0.09 0.00 0.00 178.44 178.99 2qt3 h GLU 142 N 0.84 -0.39 -1.01 1.13 4.81 -1.14 -2.41 114.58 116.42 2qt3 h GLU 142 Ca 0.21 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2qt3 h GLU 142 Cb 0.12 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 2qt3 h GLU 142 CO -0.02 -0.13 0.65 0.00 -0.73 0.00 0.00 179.01 178.77 2qt3 h ALA 143 N 0.04 1.39 -0.63 2.92 0.00 -0.85 -1.90 119.26 120.24 2qt3 h ALA 143 Ca -0.04 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2qt3 h ALA 143 Cb 0.43 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2qt3 h ALA 143 CO 0.07 0.46 0.23 -0.22 0.00 0.00 0.00 179.25 179.79 2qt3 h LYS 144 N 1.19 0.40 -0.23 0.00 3.64 -0.32 -0.67 116.57 120.59 2qt3 h LYS 144 Ca 0.43 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2qt3 h LYS 144 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2qt3 h LYS 144 CO -0.17 0.26 0.13 1.49 -2.27 0.00 0.00 179.45 178.89 2qt3 h GLU 145 N 0.41 0.32 0.00 1.90 4.57 -0.85 -1.93 114.58 119.00 2qt3 h GLU 145 Ca 0.32 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2qt3 h GLU 145 Cb 0.41 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qt3 h GLU 145 CO -0.32 0.28 0.00 0.93 -1.18 0.00 0.00 179.01 178.72 2qt3 h GLU 146 N 0.26 0.00 -0.02 1.92 5.08 -0.93 -2.88 114.58 118.01 2qt3 h GLU 146 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qt3 h GLU 146 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2qt3 h GLU 146 CO -0.01 0.00 -0.04 1.28 -1.00 0.00 0.00 179.01 179.24 2qt3 n LEU 147 N -2.33 2.09 0.28 1.33 4.77 -0.34 -4.70 117.00 118.10 2qt3 n LEU 147 Ca 0.00 -0.97 0.15 0.00 -0.03 0.00 0.00 56.01 55.16 2qt3 n LEU 147 Cb 0.14 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.96 2qt3 n LEU 147 CO 0.15 0.38 1.13 0.07 -1.33 0.00 0.00 177.39 177.79 2qt3 h LYS 148 N 2.62 0.00 -0.20 3.23 2.10 -1.15 0.98 116.57 124.15 2qt3 h LYS 148 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qt3 h LYS 148 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2qt3 h LYS 148 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2qt3 n ASP 149 N -3.00 2.31 -0.00 7.07 8.00 -1.26 -4.30 116.55 125.36 2qt3 n ASP 149 Ca 0.00 -1.80 -0.00 0.00 0.71 0.00 0.00 54.79 53.70 2qt3 n ASP 149 Cb 0.49 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2qt3 n ASP 149 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qt3 n LEU 150 N 0.76 1.72 -3.62 0.64 4.77 0.28 -4.95 117.00 116.60 2qt3 n LEU 150 Ca 0.17 -0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 2qt3 n LEU 150 Cb 0.44 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2qt3 n LEU 150 CO 0.14 0.29 0.34 -0.51 -1.33 0.00 0.00 177.39 176.33 2qt3 s ILE 151 N -2.00 0.00 -0.23 -0.08 2.07 -0.87 -4.84 121.20 115.25 2qt3 s ILE 151 Ca -0.00 -0.04 -0.20 0.00 -1.41 0.00 0.00 60.65 59.00 2qt3 s ILE 151 Cb 0.00 -0.91 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 2qt3 s ILE 151 CO 0.00 -0.02 0.62 -1.81 -1.91 0.00 0.00 174.94 171.82 2qt3 s ASP 152 N -0.29 6.60 -0.14 4.50 1.01 -0.31 -4.33 116.67 123.71 2qt3 s ASP 152 Ca -0.05 0.74 0.01 0.00 0.71 0.00 0.00 52.55 53.96 2qt3 s ASP 152 Cb -0.03 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.56 2qt3 s ASP 152 CO 0.04 -0.33 -0.16 -0.63 0.21 0.00 0.00 175.17 174.30 2qt3 s ILE 153 N 2.27 2.63 -0.18 0.77 1.01 -1.26 -1.59 121.20 124.86 2qt3 s ILE 153 Ca 0.27 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2qt3 s ILE 153 Cb -0.16 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 2qt3 s ILE 153 CO 0.09 0.52 0.10 -1.10 0.00 0.00 0.00 174.94 174.56 2qt3 s GLN 154 N 0.68 3.98 -0.21 2.79 -0.21 -0.30 -5.00 119.66 121.39 2qt3 s GLN 154 Ca -0.08 -0.26 -0.05 0.00 0.02 0.00 0.00 55.36 55.00 2qt3 s GLN 154 Cb -0.16 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 2qt3 s GLN 154 CO 0.02 0.37 -0.01 0.08 -2.12 0.00 0.00 175.29 173.62 2qt3 s VAL 155 N 0.14 3.75 -0.24 1.09 1.01 -1.26 -0.73 120.40 124.17 2qt3 s VAL 155 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2qt3 s VAL 155 Cb -0.12 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2qt3 s VAL 155 CO -0.00 0.42 0.14 -0.69 0.00 0.00 0.00 175.10 174.96 2qt3 s VAL 156 N 1.20 5.14 -0.56 2.92 1.01 0.18 -0.82 120.40 129.45 2qt3 s VAL 156 Ca 0.03 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 2qt3 s VAL 156 Cb -0.15 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2qt3 s VAL 156 CO 0.00 0.35 1.40 0.00 0.00 0.00 0.00 175.10 176.86 2qt3 s ALA 157 N 1.08 2.82 -0.40 5.51 0.00 0.15 -0.99 121.76 129.93 2qt3 s ALA 157 Ca 0.07 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2qt3 s ALA 157 Cb -0.14 -4.10 0.01 0.00 0.00 0.00 0.00 23.12 18.89 2qt3 s ALA 157 CO 0.04 -2.92 0.30 0.12 0.00 0.00 0.00 175.76 173.30 2qt3 s PHE 158 N 5.99 3.23 -1.40 0.00 5.36 -0.56 -1.44 117.98 129.16 2qt3 s PHE 158 Ca 0.51 -0.49 -0.13 0.00 -0.96 0.00 0.00 56.93 55.87 2qt3 s PHE 158 Cb -0.10 -2.59 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 2qt3 s PHE 158 CO 0.25 -0.55 2.41 0.00 -1.46 0.00 0.00 175.22 175.87 2qt3 n ALA 159 N 5.18 5.87 -0.37 11.12 0.00 0.07 -0.86 120.51 141.52 2qt3 n ALA 159 Ca -0.11 -3.59 0.31 0.00 0.00 0.00 0.00 53.44 50.05 2qt3 n ALA 159 Cb 0.48 -3.47 0.62 0.00 0.00 0.00 0.00 19.45 17.07 2qt3 n ALA 159 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2qt3 h GLN 160 N 5.92 0.20 0.00 0.00 -0.00 -1.84 -1.32 115.11 118.07 2qt3 h GLN 160 Ca 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.28 2qt3 h GLN 160 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.94 2qt3 h GLN 160 CO 1.84 0.13 -0.76 0.43 0.00 0.00 0.00 178.83 180.47 2qt3 n SER 161 N -4.51 0.63 0.00 -0.69 7.64 -1.26 -4.89 113.62 110.53 2qt3 n SER 161 Ca 0.29 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2qt3 n SER 161 Cb 1.16 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.87 2qt3 n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qt3 n GLY 162 N 1.43 1.98 0.27 0.23 0.00 -0.50 -4.36 105.19 104.23 2qt3 n GLY 162 Ca 0.04 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.68 2qt3 n GLY 162 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qt3 h PHE 163 N 0.00 0.00 -0.36 1.61 0.04 -1.82 -2.15 116.94 114.26 2qt3 h PHE 163 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2qt3 h PHE 163 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qt3 h PHE 163 CO 0.00 0.07 0.00 1.19 -0.60 0.00 0.00 178.31 178.97 2qt3 n PHE 164 N -4.00 0.47 -0.08 -0.55 3.72 -1.26 -4.24 117.46 111.51 2qt3 n PHE 164 Ca -0.03 -0.33 -0.12 0.00 -0.05 0.00 0.00 57.45 56.92 2qt3 n PHE 164 Cb 0.16 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 2qt3 n PHE 164 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2qt3 n VAL 165 N 1.01 0.88 -3.84 -4.37 0.31 -1.04 -4.78 118.33 106.50 2qt3 n VAL 165 Ca 0.15 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.84 2qt3 n VAL 165 Cb 0.49 -1.19 -0.12 0.00 -0.91 0.00 0.00 33.84 32.11 2qt3 n VAL 165 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qt3 s ASP 166 N -5.70 4.82 0.00 4.52 -1.08 -0.84 -4.96 116.67 113.43 2qt3 s ASP 166 Ca -0.21 -2.83 0.00 0.00 -0.52 0.00 0.00 52.55 48.99 2qt3 s ASP 166 Cb 0.06 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 2qt3 s ASP 166 CO 0.34 -0.32 0.70 0.18 0.52 0.00 0.00 175.17 176.59 2qt3 n LEU 167 N 3.44 0.00 0.00 -1.34 4.77 -1.26 -0.89 117.00 121.72 2qt3 n LEU 167 Ca 0.06 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 2qt3 n LEU 167 Cb 0.36 -0.20 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 2qt3 n LEU 167 CO 0.33 -0.20 0.31 1.21 -1.33 0.00 0.00 177.39 177.71 2qt3 n GLU 168 N -1.20 0.01 -0.15 3.23 2.13 -1.26 -4.38 120.64 119.02 2qt3 n GLU 168 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2qt3 n GLU 168 Cb 0.00 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.26 2qt3 n GLU 168 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2qt3 h SER 169 N 0.00 0.17 -0.61 4.31 0.02 -1.32 -2.58 113.55 113.53 2qt3 h SER 169 Ca 0.00 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2qt3 h SER 169 Cb 0.51 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2qt3 h SER 169 CO 0.00 0.13 0.30 -0.08 -1.14 0.00 0.00 176.83 176.04 2qt3 h GLU 170 N 0.34 0.53 -0.20 3.45 4.81 -1.80 0.58 114.58 122.29 2qt3 h GLU 170 Ca 0.23 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2qt3 h GLU 170 Cb 0.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2qt3 h GLU 170 CO -0.23 0.35 -0.41 0.66 -0.73 0.00 0.00 179.01 178.64 2qt3 h SER 171 N 0.55 0.72 0.16 1.04 4.64 -1.83 -2.35 113.55 116.48 2qt3 h SER 171 Ca 0.29 -0.55 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 2qt3 h SER 171 Cb 0.25 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qt3 h SER 171 CO -0.22 1.14 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.71 2qt3 h LEU 172 N 0.33 0.00 -0.10 5.97 3.38 -1.18 -1.49 115.31 122.22 2qt3 h LEU 172 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2qt3 h LEU 172 Cb 1.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.78 2qt3 h LEU 172 CO 0.09 0.10 -0.99 0.40 0.09 0.00 0.00 178.44 178.13 2qt3 h ILE 173 N 0.00 1.36 -0.49 1.22 1.08 -0.73 -2.03 117.51 117.92 2qt3 h ILE 173 Ca -0.00 -2.40 -0.02 0.00 -0.39 0.00 0.00 64.86 62.05 2qt3 h ILE 173 Cb 0.20 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.36 2qt3 h ILE 173 CO 0.01 0.72 0.22 0.03 -0.69 0.00 0.00 178.15 178.45 2qt3 h ARG 174 N 0.28 0.72 -0.27 2.37 3.08 -0.76 0.14 114.38 119.94 2qt3 h ARG 174 Ca -0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2qt3 h ARG 174 Cb 1.64 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 2qt3 h ARG 174 CO 0.18 0.62 0.15 0.87 -1.07 0.00 0.00 179.97 180.72 2qt3 h LYS 175 N 0.65 0.37 -0.76 0.04 1.57 -1.31 0.24 116.57 117.38 2qt3 h LYS 175 Ca 0.17 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2qt3 h LYS 175 Cb 0.15 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2qt3 h LYS 175 CO -0.02 0.31 0.50 0.77 -0.57 0.00 0.00 179.45 180.44 2qt3 h SER 176 N 0.33 0.87 0.18 0.86 0.02 -1.12 0.25 113.55 114.95 2qt3 h SER 176 Ca 0.10 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2qt3 h SER 176 Cb 0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2qt3 h SER 176 CO -0.02 0.63 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.81 2qt3 h LEU 177 N 1.03 0.33 -0.81 5.07 3.38 -0.38 -2.62 115.31 121.31 2qt3 h LEU 177 Ca 0.28 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2qt3 h LEU 177 Cb -0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2qt3 h LEU 177 CO -0.06 0.71 -0.43 -0.78 0.09 0.00 0.00 178.44 177.97 2qt3 h ASP 178 N 0.26 0.38 0.42 -0.43 1.82 0.53 -2.40 116.42 116.99 2qt3 h ASP 178 Ca 0.02 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2qt3 h ASP 178 Cb 0.85 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.76 2qt3 h ASP 178 CO 0.07 0.77 0.00 0.23 -1.61 0.00 0.00 179.24 178.70 2qt3 n MET 179 N -4.01 0.12 0.00 0.28 2.81 0.80 -4.87 117.12 112.24 2qt3 n MET 179 Ca -0.02 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2qt3 n MET 179 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 2qt3 n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qt3 n GLY 180 N 0.10 0.94 3.65 3.03 0.00 -0.90 -5.08 105.19 106.92 2qt3 n GLY 180 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2qt3 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt3 h ASP 182 N 2.18 0.00 -5.38 0.00 3.32 -1.35 -3.45 116.42 111.74 2qt3 h ASP 182 Ca -0.44 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.47 2qt3 h ASP 182 Cb 1.31 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.74 2qt3 h ASP 182 CO 0.61 0.47 -0.39 -0.76 -1.72 0.00 0.00 179.24 177.44 2qt3 s LEU 183 N -6.45 0.92 0.06 1.55 1.02 -0.58 -3.70 118.68 111.50 2qt3 s LEU 183 Ca 0.04 -1.09 0.05 0.00 0.02 0.00 0.00 54.13 53.15 2qt3 s LEU 183 Cb 0.07 1.00 -0.03 0.00 0.02 0.00 0.00 46.19 47.26 2qt3 s LEU 183 CO 0.74 -0.93 -0.15 0.54 0.02 0.00 0.00 176.35 176.57 2qt3 s VAL 184 N -4.05 1.19 -0.10 -1.59 0.11 -0.81 0.30 120.40 115.44 2qt3 s VAL 184 Ca 0.27 -1.18 -0.31 0.00 -2.93 0.00 0.00 61.98 57.84 2qt3 s VAL 184 Cb 0.04 -1.10 0.10 0.00 -1.53 0.00 0.00 36.38 33.88 2qt3 s VAL 184 CO 0.07 -0.08 0.82 -0.83 -3.33 0.00 0.00 175.10 171.75 2qt3 s GLY 185 N -1.44 -0.44 0.00 6.54 0.00 -0.52 -2.18 107.32 109.28 2qt3 s GLY 185 Ca 0.01 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.37 2qt3 s GLY 185 CO 0.02 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.73 2qt3 n GLY 186 N 0.85 5.43 3.29 0.20 0.00 -1.26 -0.75 105.19 112.95 2qt3 n GLY 186 Ca -0.15 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.58 2qt3 n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt3 s VAL 187 N 0.28 1.49 0.00 1.61 1.01 -1.26 -1.65 120.40 121.88 2qt3 s VAL 187 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.97 2qt3 s VAL 187 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2qt3 s VAL 187 CO 0.00 -0.56 0.00 0.47 0.00 0.00 0.00 175.10 175.01 2qt3 n ASP 188 N -0.03 0.00 -0.01 3.32 8.00 -0.72 -4.58 116.55 122.53 2qt3 n ASP 188 Ca -0.11 0.00 0.23 0.00 0.71 0.00 0.00 54.79 55.62 2qt3 n ASP 188 Cb 0.59 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.42 2qt3 n ASP 188 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2qt3 h PRO 189 N 0.05 0.00 0.00 -0.24 0.11 -1.90 -2.12 132.00 127.90 2qt3 h PRO 189 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qt3 h PRO 189 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qt3 h PRO 189 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2qt3 n ALA 190 N -2.51 0.00 0.37 -0.75 0.00 -1.26 -2.21 120.51 114.15 2qt3 n ALA 190 Ca 0.11 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2qt3 n ALA 190 Cb 0.72 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.69 2qt3 n ALA 190 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2qt3 h THR 191 N 0.00 0.00 0.00 0.00 1.35 -1.96 0.16 112.91 112.46 2qt3 h THR 191 Ca 0.00 -0.24 -0.37 0.00 -0.55 0.00 0.00 66.41 65.25 2qt3 h THR 191 Cb 0.00 0.99 -0.06 0.00 -1.73 0.00 0.00 68.15 67.35 2qt3 h THR 191 CO 0.00 0.00 -2.23 -1.14 -0.25 0.00 0.00 175.52 171.90 2qt3 n ARG 192 N -2.33 0.57 0.05 4.72 3.00 -0.84 -4.66 116.66 117.17 2qt3 n ARG 192 Ca 0.02 0.25 -0.07 0.00 -0.00 0.00 0.00 57.85 58.04 2qt3 n ARG 192 Cb 0.22 -1.46 -0.12 0.00 0.00 0.00 0.00 32.46 31.10 2qt3 n ARG 192 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2qt3 h GLU 193 N -0.98 0.00 -5.06 -0.14 4.39 -1.52 -3.46 114.58 107.81 2qt3 h GLU 193 Ca -0.56 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 58.73 2qt3 h GLU 193 Cb 1.49 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.18 2qt3 h GLU 193 CO -0.34 0.95 -0.63 0.09 -1.16 0.00 0.00 179.01 177.92 2qt3 n ASN 194 N -3.32 -5.74 -2.92 1.42 5.03 0.55 -4.82 115.26 105.46 2qt3 n ASN 194 Ca -0.01 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.04 2qt3 n ASN 194 Cb 0.95 -4.62 0.00 0.00 -1.02 0.00 0.00 39.78 35.09 2qt3 n ASN 194 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2qt3 s ASN 195 N -2.89 -0.88 0.02 6.41 3.84 -0.94 -5.04 114.94 115.46 2qt3 s ASN 195 Ca 0.41 -0.57 -0.24 0.00 0.21 0.00 0.00 52.86 52.67 2qt3 s ASN 195 Cb -0.19 1.13 -0.17 0.00 -0.55 0.00 0.00 41.25 41.47 2qt3 s ASN 195 CO 0.51 -0.08 1.42 0.58 -2.79 0.00 0.00 177.10 176.73 2qt3 h VAL 196 N 4.07 1.28 -0.43 -5.21 2.07 -1.89 -1.98 116.25 114.16 2qt3 h VAL 196 Ca 0.01 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 2qt3 h VAL 196 Cb 1.19 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2qt3 h VAL 196 CO -0.01 0.24 0.01 -0.33 0.02 0.00 0.00 177.57 177.50 2qt3 h GLU 197 N -0.24 0.75 -0.10 1.57 4.39 -1.97 -2.82 114.58 116.15 2qt3 h GLU 197 Ca 0.01 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2qt3 h GLU 197 Cb 0.38 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2qt3 h GLU 197 CO 0.00 0.81 0.01 0.78 -1.16 0.00 0.00 179.01 179.46 2qt3 h GLY 198 N 0.59 0.18 1.06 -3.84 0.00 -1.97 -1.17 103.07 97.93 2qt3 h GLY 198 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2qt3 h GLY 198 CO 0.02 0.11 -0.11 1.48 0.00 0.00 0.00 176.54 178.05 2qt3 h SER 199 N -0.08 0.97 -0.13 0.19 4.64 -1.44 -1.84 113.55 115.85 2qt3 h SER 199 Ca 0.03 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2qt3 h SER 199 Cb 0.31 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2qt3 h SER 199 CO 0.00 1.10 0.02 -0.07 -0.87 0.00 0.00 176.83 177.01 2qt3 h LEU 200 N 0.82 0.22 -0.75 5.97 3.38 -1.53 -1.43 115.31 121.99 2qt3 h LEU 200 Ca 0.13 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qt3 h LEU 200 Cb 0.66 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2qt3 h LEU 200 CO 0.05 0.43 0.48 0.44 0.09 0.00 0.00 178.44 179.93 2qt3 h ASP 201 N -0.01 0.81 -0.48 -0.43 3.32 -1.19 -1.56 116.42 116.89 2qt3 h ASP 201 Ca 0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2qt3 h ASP 201 Cb 0.31 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qt3 h ASP 201 CO 0.00 0.57 0.19 0.25 -1.72 0.00 0.00 179.24 178.53 2qt3 h LEU 202 N 0.96 0.67 -0.84 1.55 5.85 -1.23 -1.10 115.31 121.16 2qt3 h LEU 202 Ca 0.29 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2qt3 h LEU 202 Cb -0.03 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2qt3 h LEU 202 CO -0.09 0.66 0.55 0.00 -0.34 0.00 0.00 178.44 179.22 2qt3 h PHE 204 N 1.09 0.51 0.09 0.00 -1.00 -1.01 -1.19 116.94 115.43 2qt3 h PHE 204 Ca 0.33 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.99 2qt3 h PHE 204 Cb -0.05 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.39 2qt3 h PHE 204 CO -0.02 0.69 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.10 2qt3 h LYS 205 N 0.40 -0.12 -0.81 1.51 3.64 -0.03 -0.95 116.57 120.22 2qt3 h LYS 205 Ca 0.06 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2qt3 h LYS 205 Cb 0.68 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 2qt3 h LYS 205 CO 0.05 -0.00 0.44 -0.07 -2.27 0.00 0.00 179.45 177.60 2qt3 h LEU 206 N -0.20 1.00 -0.21 5.20 3.38 -1.07 -1.81 115.31 121.60 2qt3 h LEU 206 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qt3 h LEU 206 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qt3 h LEU 206 CO 0.02 0.80 0.13 0.00 0.09 0.00 0.00 178.44 179.49 2qt3 h ALA 207 N 1.36 0.26 -0.33 1.53 0.00 -0.88 -2.86 119.26 118.33 2qt3 h ALA 207 Ca 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2qt3 h ALA 207 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qt3 h ALA 207 CO -0.05 -0.26 -0.15 0.87 0.00 0.00 0.00 179.25 179.67 2qt3 h LYS 208 N 0.27 0.59 -0.58 0.00 1.57 -0.88 0.30 116.57 117.85 2qt3 h LYS 208 Ca 0.08 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2qt3 h LYS 208 Cb -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2qt3 h LYS 208 CO -0.02 0.72 0.38 0.93 -0.57 0.00 0.00 179.45 180.90 2qt3 h GLU 209 N 0.54 0.70 -0.21 3.15 5.08 -1.12 -2.52 114.58 120.20 2qt3 h GLU 209 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qt3 h GLU 209 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2qt3 h GLU 209 CO 0.04 0.46 0.00 0.66 -1.00 0.00 0.00 179.01 179.17 2qt3 n TYR 210 N -4.46 0.28 -4.00 4.33 4.01 -1.12 -4.99 117.16 111.21 2qt3 n TYR 210 Ca 0.06 -0.32 -0.29 0.00 -0.16 0.00 0.00 57.90 57.19 2qt3 n TYR 210 Cb 0.10 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 2qt3 n TYR 210 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2qt3 n ASP 211 N 0.49 -2.38 -4.67 7.72 2.03 0.92 -4.98 116.55 115.68 2qt3 n ASP 211 Ca 0.09 -0.93 -0.23 0.00 0.52 0.00 0.00 54.79 54.24 2qt3 n ASP 211 Cb 0.36 -3.28 -0.07 0.00 -0.72 0.00 0.00 41.12 37.41 2qt3 n ASP 211 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2qt3 s VAL 212 N -3.57 3.53 0.81 5.18 -7.23 -0.33 -5.01 120.40 113.78 2qt3 s VAL 212 Ca 0.38 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 2qt3 s VAL 212 Cb -0.20 -2.92 0.09 0.00 0.56 0.00 0.00 36.38 33.91 2qt3 s VAL 212 CO 0.88 -0.36 1.18 -1.81 -0.31 0.00 0.00 175.10 174.68 2qt3 s ASP 213 N -3.71 4.44 -0.01 4.85 1.11 -1.24 -4.63 116.67 117.48 2qt3 s ASP 213 Ca 0.32 0.73 0.08 0.00 0.18 0.00 0.00 52.55 53.86 2qt3 s ASP 213 Cb -0.06 -1.20 -0.02 0.00 1.07 0.00 0.00 42.92 42.71 2qt3 s ASP 213 CO 0.21 -1.94 -0.25 -0.63 1.18 0.00 0.00 175.17 173.74 2qt3 s ILE 214 N -3.57 1.98 -0.23 0.77 1.01 -0.36 -1.93 121.20 118.86 2qt3 s ILE 214 Ca 0.63 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2qt3 s ILE 214 Cb -0.11 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.79 2qt3 s ILE 214 CO 0.49 0.51 0.10 -0.62 0.00 0.00 0.00 174.94 175.42 2qt3 s ASP 215 N -0.71 3.04 -0.12 3.58 -1.08 -0.93 -0.36 116.67 120.09 2qt3 s ASP 215 Ca 0.10 -1.00 -0.11 0.00 -0.52 0.00 0.00 52.55 51.02 2qt3 s ASP 215 Cb -0.10 -0.38 -0.05 0.00 -1.46 0.00 0.00 42.92 40.93 2qt3 s ASP 215 CO -0.00 -0.39 0.23 -0.47 0.52 0.00 0.00 175.17 175.06 2qt3 s TYR 216 N 2.04 3.56 -0.45 -5.34 5.04 0.27 -4.16 117.35 118.31 2qt3 s TYR 216 Ca 0.05 0.60 -0.25 0.00 -2.44 0.00 0.00 57.07 55.03 2qt3 s TYR 216 Cb -0.16 -2.15 0.03 0.00 0.35 0.00 0.00 41.96 40.02 2qt3 s TYR 216 CO -0.21 0.51 0.89 -1.01 -1.34 0.00 0.00 175.55 174.39 2qt3 s HIS 217 N -0.41 2.96 -0.39 4.97 3.76 -0.66 0.15 115.29 125.66 2qt3 s HIS 217 Ca 0.16 0.37 0.02 0.00 -0.15 0.00 0.00 55.06 55.46 2qt3 s HIS 217 Cb -0.13 -3.85 0.11 0.00 1.11 0.00 0.00 32.58 29.82 2qt3 s HIS 217 CO 0.05 -1.04 0.15 0.42 -0.85 0.00 0.00 174.74 173.47 2qt3 s ILE 218 N 3.60 1.75 -0.12 0.60 1.01 -1.02 -1.76 121.20 125.27 2qt3 s ILE 218 Ca 0.35 -2.34 0.17 0.00 0.00 0.00 0.00 60.65 58.83 2qt3 s ILE 218 Cb -0.11 -2.27 -0.14 0.00 0.01 0.00 0.00 42.46 39.96 2qt3 s ILE 218 CO 0.25 -0.73 0.83 1.41 0.00 0.00 0.00 174.94 176.69 2qt3 n HIS 219 N 4.02 1.00 -1.63 3.97 8.25 -1.26 -2.75 115.22 126.81 2qt3 n HIS 219 Ca 0.04 0.34 -0.58 0.00 -0.26 0.00 0.00 57.72 57.25 2qt3 n HIS 219 Cb 0.38 -1.10 -0.07 0.00 1.12 0.00 0.00 29.99 30.32 2qt3 n HIS 219 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qt3 n ASP 220 N -2.90 1.39 -4.85 0.41 8.00 -1.26 -4.62 116.55 112.73 2qt3 n ASP 220 Ca -0.10 1.13 -0.26 0.00 0.71 0.00 0.00 54.79 56.27 2qt3 n ASP 220 Cb 0.84 -1.06 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 2qt3 n ASP 220 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2qt3 s ILE 221 N 1.64 2.26 0.00 0.53 -4.36 -1.26 -3.72 121.20 116.29 2qt3 s ILE 221 Ca 0.93 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 61.03 2qt3 s ILE 221 Cb -1.15 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 39.59 2qt3 s ILE 221 CO 0.60 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.39 2qt3 n GLY 222 N -2.95 0.85 0.23 6.27 0.00 -1.26 -3.11 105.19 105.23 2qt3 n GLY 222 Ca 0.09 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.44 2qt3 n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qt3 h THR 223 N 0.00 1.02 -0.04 2.61 1.35 -1.91 -2.23 112.91 113.71 2qt3 h THR 223 Ca 0.00 -0.59 -0.09 0.00 -0.55 0.00 0.00 66.41 65.18 2qt3 h THR 223 Cb 0.00 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2qt3 h THR 223 CO 0.00 0.16 -0.39 1.62 -0.25 0.00 0.00 175.52 176.67 2qt3 h VAL 224 N 0.00 1.29 -0.08 6.82 3.04 -1.91 0.46 116.25 125.88 2qt3 h VAL 224 Ca -0.00 -1.39 -0.06 0.00 -1.01 0.00 0.00 66.70 64.23 2qt3 h VAL 224 Cb 0.31 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2qt3 h VAL 224 CO 0.02 0.41 -0.20 1.23 -1.01 0.00 0.00 177.57 178.02 2qt3 h GLY 225 N 1.19 0.30 1.20 3.17 0.00 -1.35 -1.91 103.07 105.67 2qt3 h GLY 225 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2qt3 h GLY 225 CO 0.05 0.33 0.27 -2.08 0.00 0.00 0.00 176.54 175.12 2qt3 h VAL 226 N -0.21 1.24 -0.03 4.60 2.07 -1.30 -1.21 116.25 121.39 2qt3 h VAL 226 Ca -0.00 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2qt3 h VAL 226 Cb 0.81 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2qt3 h VAL 226 CO 0.04 0.30 0.02 0.22 0.02 0.00 0.00 177.57 178.17 2qt3 h TYR 227 N 1.00 0.04 -0.82 1.57 3.20 -0.90 0.16 116.97 121.22 2qt3 h TYR 227 Ca 0.23 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 2qt3 h TYR 227 Cb 0.20 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2qt3 h TYR 227 CO 0.02 0.09 0.48 0.77 -1.64 0.00 0.00 178.16 177.88 2qt3 h SER 228 N -0.02 0.71 -0.11 -2.11 0.02 -0.91 -0.66 113.55 110.48 2qt3 h SER 228 Ca 0.01 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2qt3 h SER 228 Cb 0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2qt3 h SER 228 CO -0.00 0.43 -0.38 0.40 -1.14 0.00 0.00 176.83 176.14 2qt3 h ILE 229 N 0.84 1.29 -0.53 3.27 2.04 -0.91 -1.90 117.51 121.61 2qt3 h ILE 229 Ca 0.38 -1.54 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 2qt3 h ILE 229 Cb 0.28 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2qt3 h ILE 229 CO -0.21 0.49 -0.02 0.78 0.00 0.00 0.00 178.15 179.18 2qt3 h ASN 230 N 0.52 0.89 -0.56 1.72 2.35 -0.15 0.00 115.58 120.35 2qt3 h ASN 230 Ca 0.05 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 2qt3 h ASN 230 Cb 0.89 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2qt3 h ASN 230 CO 0.08 0.96 -0.01 0.03 -1.65 0.00 0.00 177.43 176.85 2qt3 h ARG 231 N 0.84 1.02 -0.54 0.81 2.47 -0.98 -1.15 114.38 116.85 2qt3 h ARG 231 Ca 0.15 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.48 2qt3 h ARG 231 Cb 0.53 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 2qt3 h ARG 231 CO 0.03 1.00 0.07 1.25 0.56 0.00 0.00 179.97 182.88 2qt3 h LEU 232 N 0.93 0.88 -0.53 3.04 5.85 -0.92 -0.60 115.31 123.96 2qt3 h LEU 232 Ca 0.17 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2qt3 h LEU 232 Cb 0.55 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2qt3 h LEU 232 CO 0.03 0.93 -0.03 0.00 -0.34 0.00 0.00 178.44 179.03 2qt3 h ALA 233 N 0.98 0.72 -0.50 1.25 0.00 -0.83 -0.79 119.26 120.10 2qt3 h ALA 233 Ca 0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2qt3 h ALA 233 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qt3 h ALA 233 CO 0.01 0.58 0.03 0.37 0.00 0.00 0.00 179.25 180.24 2qt3 h GLN 234 N 0.84 0.86 0.00 0.00 5.75 -1.06 -2.10 115.11 119.41 2qt3 h GLN 234 Ca 0.15 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2qt3 h GLN 234 Cb 0.58 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 2qt3 h GLN 234 CO 0.03 0.88 -0.06 0.87 -2.65 0.00 0.00 178.83 177.90 2qt3 h LYS 235 N 0.73 0.00 -0.20 1.69 1.57 -0.99 -1.94 116.57 117.43 2qt3 h LYS 235 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2qt3 h LYS 235 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2qt3 h LYS 235 CO 0.02 0.06 -0.04 1.15 -0.57 0.00 0.00 179.45 180.07 2qt3 h THR 236 N 0.00 1.28 -0.24 -0.16 2.02 -0.46 -1.23 112.91 114.12 2qt3 h THR 236 Ca -0.00 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 2qt3 h THR 236 Cb 0.58 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2qt3 h THR 236 CO 0.01 0.31 0.04 0.40 0.37 0.00 0.00 175.52 176.65 2qt3 h ILE 237 N 0.11 1.22 -0.74 3.11 2.04 -1.20 0.99 117.51 123.04 2qt3 h ILE 237 Ca 0.05 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.25 2qt3 h ILE 237 Cb 0.49 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 2qt3 h ILE 237 CO 0.02 0.24 0.40 -0.33 0.00 0.00 0.00 178.15 178.47 2qt3 h GLU 238 N 0.20 0.66 -0.58 2.37 5.08 -1.27 -1.52 114.58 119.51 2qt3 h GLU 238 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qt3 h GLU 238 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qt3 h GLU 238 CO 0.00 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.54 2qt3 n ASN 239 N -4.81 2.19 -3.76 1.42 4.13 -0.47 -4.90 115.26 109.05 2qt3 n ASN 239 Ca 0.11 -2.19 -0.25 0.00 1.68 0.00 0.00 54.58 53.94 2qt3 n ASN 239 Cb 0.26 -0.39 0.04 0.00 -1.54 0.00 0.00 39.78 38.15 2qt3 n ASN 239 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qt3 n GLY 240 N 0.57 -0.42 0.73 7.41 0.00 -0.57 -4.91 105.19 108.00 2qt3 n GLY 240 Ca 0.10 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.33 2qt3 n GLY 240 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qt3 n TYR 241 N -4.54 0.53 -1.65 1.61 4.02 0.33 -5.04 117.16 112.42 2qt3 n TYR 241 Ca -0.11 -1.33 -0.49 0.00 -0.01 0.00 0.00 57.90 55.96 2qt3 n TYR 241 Cb 0.60 -0.32 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 2qt3 n TYR 241 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2qt3 n LYS 242 N -1.09 1.74 -0.97 -0.72 5.02 -1.25 -0.80 118.16 120.10 2qt3 n LYS 242 Ca 0.24 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2qt3 n LYS 242 Cb 0.83 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2qt3 n LYS 242 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qt3 n GLY 243 N 3.29 0.85 0.85 0.72 0.00 -0.98 -4.85 105.19 105.06 2qt3 n GLY 243 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2qt3 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt3 n ARG 244 N -2.10 2.86 -4.79 1.61 1.74 0.02 -4.97 116.66 111.03 2qt3 n ARG 244 Ca 0.00 -2.24 -0.26 0.00 -0.77 0.00 0.00 57.85 54.58 2qt3 n ARG 244 Cb 0.01 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 29.92 2qt3 n ARG 244 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qt3 s VAL 245 N -1.05 1.37 0.01 1.55 1.01 -1.26 -1.23 120.40 120.80 2qt3 s VAL 245 Ca 0.31 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2qt3 s VAL 245 Cb 0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2qt3 s VAL 245 CO 0.20 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.59 2qt3 s THR 246 N 0.08 1.73 -0.22 3.92 2.01 0.51 -2.06 115.64 121.61 2qt3 s THR 246 Ca -0.04 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 2qt3 s THR 246 Cb -0.11 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 2qt3 s THR 246 CO 0.02 0.39 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.39 2qt3 s THR 247 N -0.62 3.15 0.02 -0.82 2.01 0.68 -0.57 115.64 119.49 2qt3 s THR 247 Ca 0.08 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 2qt3 s THR 247 Cb -0.09 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 2qt3 s THR 247 CO 0.00 0.42 0.44 -0.44 -0.69 0.00 0.00 174.62 174.35 2qt3 s SER 248 N 1.44 6.85 0.00 3.53 0.01 0.12 -2.27 113.70 123.39 2qt3 s SER 248 Ca 0.05 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.33 2qt3 s SER 248 Cb -0.14 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2qt3 s SER 248 CO -0.05 0.31 0.00 1.41 0.41 0.00 0.00 173.24 175.32 2qt3 n HIS 249 N 1.75 0.00 -3.95 2.43 8.25 0.59 -2.43 115.22 121.87 2qt3 n HIS 249 Ca -0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 2qt3 n HIS 249 Cb 0.52 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 2qt3 n HIS 249 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qt3 n ALA 250 N 0.00 -1.71 0.15 -1.41 0.00 -1.11 -4.72 120.51 111.71 2qt3 n ALA 250 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2qt3 n ALA 250 Cb 0.00 -2.61 0.66 0.00 0.00 0.00 0.00 19.45 17.50 2qt3 n ALA 250 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2qt3 h TRP 251 N -1.83 0.00 -0.60 0.00 6.55 -1.83 -2.51 115.95 115.73 2qt3 h TRP 251 Ca -0.61 0.00 0.17 0.00 0.95 0.00 0.00 58.89 59.41 2qt3 h TRP 251 Cb 1.37 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.65 2qt3 h TRP 251 CO 0.53 0.00 0.56 0.00 -1.05 0.00 0.00 178.44 178.48 2qt3 h PHE 253 N 0.00 0.00 0.00 0.00 0.04 -1.77 -0.94 116.94 114.27 2qt3 h PHE 253 Ca 0.29 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.86 2qt3 h PHE 253 Cb 1.40 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.53 2qt3 h PHE 253 CO 0.00 0.00 -0.92 0.00 -0.60 0.00 0.00 178.31 176.79 2qt3 h ALA 254 N 2.05 0.41 0.00 2.45 0.00 -0.93 -3.39 119.26 119.86 2qt3 h ALA 254 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2qt3 h ALA 254 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qt3 h ALA 254 CO 0.00 1.14 -0.50 -0.40 0.00 0.00 0.00 179.25 179.49 2qt3 n ASP 255 N -3.32 1.62 -4.79 0.00 5.75 -1.10 -4.73 116.55 109.98 2qt3 n ASP 255 Ca 0.00 -0.37 -0.34 0.00 -0.01 0.00 0.00 54.79 54.07 2qt3 n ASP 255 Cb 0.90 1.05 -0.02 0.00 -1.03 0.00 0.00 41.12 42.02 2qt3 n ASP 255 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qt3 s ALA 256 N -1.62 2.81 0.32 2.12 0.00 -0.37 -4.83 121.76 120.19 2qt3 s ALA 256 Ca 0.00 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 2qt3 s ALA 256 Cb 0.02 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 2qt3 s ALA 256 CO 0.13 -0.48 1.14 -2.30 0.00 0.00 0.00 175.76 174.24 2qt3 n PRO 257 N -1.12 1.70 0.29 0.00 -0.02 -1.26 -4.82 135.00 129.76 2qt3 n PRO 257 Ca 0.10 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.33 2qt3 n PRO 257 Cb 0.52 -2.07 0.90 0.00 -0.02 0.00 0.00 33.50 32.83 2qt3 n PRO 257 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qt3 h SER 258 N 2.21 0.00 -0.18 2.55 4.64 -1.93 -0.45 113.55 120.39 2qt3 h SER 258 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 2qt3 h SER 258 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2qt3 h SER 258 CO 0.61 0.00 0.03 -0.33 -0.87 0.00 0.00 176.83 176.27 2qt3 h GLU 259 N 0.00 0.41 -0.39 4.77 3.07 -1.99 -0.98 114.58 119.46 2qt3 h GLU 259 Ca 0.01 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 2qt3 h GLU 259 Cb 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qt3 h GLU 259 CO -0.00 0.41 -0.33 -1.49 -1.40 0.00 0.00 179.01 176.21 2qt3 h TRP 260 N 0.40 1.05 -0.21 4.33 4.06 -1.41 -2.55 115.95 121.61 2qt3 h TRP 260 Ca 0.09 -0.29 -0.19 0.00 2.06 0.00 0.00 58.89 60.57 2qt3 h TRP 260 Cb 0.22 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 2qt3 h TRP 260 CO 0.01 1.09 -0.62 1.25 -3.56 0.00 0.00 178.44 176.61 2qt3 h LEU 261 N 0.74 0.83 -0.87 -4.49 5.85 -1.47 -2.89 115.31 113.01 2qt3 h LEU 261 Ca 0.08 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2qt3 h LEU 261 Cb 0.90 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2qt3 h LEU 261 CO 0.08 1.25 0.48 0.44 -0.34 0.00 0.00 178.44 180.35 2qt3 h ASP 262 N 0.54 1.09 1.54 1.25 3.32 -1.12 -1.43 116.42 121.61 2qt3 h ASP 262 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2qt3 h ASP 262 Cb 1.21 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2qt3 h ASP 262 CO 0.13 0.87 -0.02 1.05 -1.72 0.00 0.00 179.24 179.55 2qt3 h GLU 263 N 1.22 0.00 0.00 3.56 4.11 -1.48 -3.28 114.58 118.70 2qt3 h GLU 263 Ca 0.31 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.64 2qt3 h GLU 263 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2qt3 h GLU 263 CO -0.05 0.00 -1.44 0.00 0.07 0.00 0.00 179.01 177.59 2qt3 n ALA 264 N -1.84 2.23 -0.25 1.06 0.00 -0.96 -4.33 120.51 116.42 2qt3 n ALA 264 Ca 0.05 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 53.04 2qt3 n ALA 264 Cb 0.45 -0.92 0.17 0.00 0.00 0.00 0.00 19.45 19.14 2qt3 n ALA 264 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qt3 h ILE 265 N 0.00 0.76 -0.57 0.00 2.04 -1.34 0.29 117.51 118.69 2qt3 h ILE 265 Ca -0.11 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2qt3 h ILE 265 Cb 1.35 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2qt3 h ILE 265 CO 0.02 0.10 0.38 -0.65 0.00 0.00 0.00 178.15 178.00 2qt3 h PRO 266 N 0.54 0.73 -0.14 2.37 0.11 -1.78 0.14 132.00 133.97 2qt3 h PRO 266 Ca 0.39 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 2qt3 h PRO 266 Cb 0.50 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2qt3 h PRO 266 CO -0.33 0.48 -0.53 1.25 -0.21 0.00 0.00 178.00 178.66 2qt3 h LEU 267 N 0.75 0.43 -0.34 2.35 5.85 -1.25 -1.41 115.31 121.69 2qt3 h LEU 267 Ca 0.21 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2qt3 h LEU 267 Cb -0.05 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2qt3 h LEU 267 CO -0.05 0.88 -0.51 1.88 -0.34 0.00 0.00 178.44 180.30 2qt3 h TYR 268 N 0.31 1.08 -0.48 1.25 0.05 0.02 -1.96 116.97 117.24 2qt3 h TYR 268 Ca 0.01 -0.37 -0.13 0.00 0.05 0.00 0.00 58.73 58.29 2qt3 h TYR 268 Cb 1.03 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2qt3 h TYR 268 CO 0.03 1.20 -0.20 0.87 -1.05 0.00 0.00 178.16 179.01 2qt3 h LYS 269 N 0.67 0.98 -0.12 4.88 1.57 -0.94 -0.36 116.57 123.25 2qt3 h LYS 269 Ca 0.02 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 2qt3 h LYS 269 Cb 1.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2qt3 h LYS 269 CO 0.12 1.09 -0.30 0.22 -0.57 0.00 0.00 179.45 180.01 2qt3 h ASP 270 N 0.84 0.23 0.28 0.86 3.58 -1.22 -2.65 116.42 118.34 2qt3 h ASP 270 Ca 0.11 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2qt3 h ASP 270 Cb 0.78 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2qt3 h ASP 270 CO 0.06 0.53 -0.43 -1.54 -2.88 0.00 0.00 179.24 174.98 2qt3 n SER 271 N -4.12 0.94 -1.69 2.28 3.41 -0.74 -4.95 113.62 108.75 2qt3 n SER 271 Ca -0.01 -0.74 -0.15 0.00 -0.26 0.00 0.00 58.87 57.71 2qt3 n SER 271 Cb 0.39 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.62 2qt3 n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt3 n GLY 272 N 1.42 -0.17 3.75 5.00 0.00 -0.26 -2.32 105.19 112.61 2qt3 n GLY 272 Ca 0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2qt3 n GLY 272 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2qt3 n MET 273 N -2.45 2.64 -4.43 1.61 0.00 -0.50 -3.69 117.12 110.30 2qt3 n MET 273 Ca -0.18 0.93 -0.31 0.00 0.00 0.00 0.00 57.70 58.15 2qt3 n MET 273 Cb 0.63 -2.68 -0.11 0.00 0.00 0.00 0.00 33.22 31.06 2qt3 n MET 273 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2qt3 s LYS 274 N -1.30 2.16 0.16 2.12 1.02 -0.87 -4.42 119.74 118.61 2qt3 s LYS 274 Ca 0.59 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.68 2qt3 s LYS 274 Cb -0.50 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2qt3 s LYS 274 CO 0.56 0.53 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.33 2qt3 s PHE 275 N -1.07 1.50 -0.03 3.18 0.08 -0.27 -0.23 117.98 121.15 2qt3 s PHE 275 Ca 0.18 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 2qt3 s PHE 275 Cb -0.11 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2qt3 s PHE 275 CO 0.09 0.21 0.03 0.08 -0.10 0.00 0.00 175.22 175.54 2qt3 s VAL 276 N -2.75 -0.03 -0.10 -0.44 1.01 -0.96 -0.53 120.40 116.59 2qt3 s VAL 276 Ca 0.16 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2qt3 s VAL 276 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2qt3 s VAL 276 CO 0.04 0.12 -0.12 0.28 0.00 0.00 0.00 175.10 175.42 2qt3 s THR 277 N 1.35 3.18 -0.18 3.92 -1.32 -0.55 -0.30 115.64 121.73 2qt3 s THR 277 Ca -0.06 -0.64 -0.14 0.00 -1.21 0.00 0.00 61.69 59.65 2qt3 s THR 277 Cb -0.13 -2.31 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2qt3 s THR 277 CO -0.03 0.55 0.29 0.00 -2.21 0.00 0.00 174.62 173.22 2qt3 n PHE 279 N 3.84 0.00 1.30 0.00 1.16 -0.15 -0.53 117.46 123.08 2qt3 n PHE 279 Ca -0.12 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.59 2qt3 n PHE 279 Cb 0.52 -0.26 0.42 0.00 -1.61 0.00 0.00 39.48 38.55 2qt3 n PHE 279 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qt3 n SER 280 N -1.26 1.77 0.00 5.98 3.41 -1.26 -4.42 113.62 117.83 2qt3 n SER 280 Ca 0.04 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2qt3 n SER 280 Cb 0.07 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2qt3 n SER 280 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qt3 n SER 281 N 0.38 0.00 -4.68 4.04 3.41 -0.19 -5.10 113.62 111.47 2qt3 n SER 281 Ca 0.18 -0.83 -0.54 0.00 -0.26 0.00 0.00 58.87 57.42 2qt3 n SER 281 Cb 0.37 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2qt3 n SER 281 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2qt3 n THR 282 N 0.00 0.40 -2.03 6.66 -1.04 0.31 -4.88 114.28 113.70 2qt3 n THR 282 Ca 0.00 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 2qt3 n THR 282 Cb 0.21 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.20 2qt3 n THR 282 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2qt3 s PRO 283 N 3.97 4.29 0.41 -2.82 0.02 -1.26 -4.91 135.00 134.71 2qt3 s PRO 283 Ca 0.97 2.31 0.16 0.00 0.02 0.00 0.00 61.00 64.46 2qt3 s PRO 283 Cb -0.92 -3.05 1.03 0.00 0.02 0.00 0.00 34.50 31.59 2qt3 s PRO 283 CO 0.60 -0.29 1.88 -1.35 -0.33 0.00 0.00 177.00 177.51 2qt3 h PRO 284 N 3.37 0.44 -0.44 5.54 0.11 -1.90 0.59 132.00 139.70 2qt3 h PRO 284 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qt3 h PRO 284 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qt3 h PRO 284 CO 0.66 0.29 0.00 0.25 -0.21 0.00 0.00 178.00 178.98 2qt3 n THR 285 N -4.50 0.62 -1.96 -1.15 -2.24 -1.26 -4.58 114.28 99.21 2qt3 n THR 285 Ca 0.17 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2qt3 n THR 285 Cb 0.60 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2qt3 n THR 285 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2qt3 s MET 286 N -1.49 4.22 -0.82 -0.78 0.00 0.20 -4.55 119.30 116.09 2qt3 s MET 286 Ca 0.28 2.33 -0.07 0.00 0.00 0.00 0.00 55.69 58.22 2qt3 s MET 286 Cb 0.15 -3.24 -0.13 0.00 0.00 0.00 0.00 34.83 31.61 2qt3 s MET 286 CO 0.18 -0.61 2.76 -0.35 0.00 0.00 0.00 175.02 177.00 2qt3 n PRO 287 N 4.24 2.48 0.36 4.11 -0.04 -1.26 -4.69 135.00 140.19 2qt3 n PRO 287 Ca 0.14 -1.47 -0.18 0.00 -0.04 0.00 0.00 63.50 61.95 2qt3 n PRO 287 Cb 0.39 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 2qt3 n PRO 287 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qt3 h VAL 288 N 2.81 0.22 -0.80 0.52 2.07 -1.95 -0.70 116.25 118.43 2qt3 h VAL 288 Ca 0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.01 2qt3 h VAL 288 Cb 0.61 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2qt3 h VAL 288 CO 1.13 0.00 0.47 0.40 0.02 0.00 0.00 177.57 179.59 2qt3 h ILE 289 N -0.96 1.22 -0.54 4.57 1.08 -2.00 -1.57 117.51 119.31 2qt3 h ILE 289 Ca -0.08 -0.50 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2qt3 h ILE 289 Cb 0.78 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2qt3 h ILE 289 CO 0.09 0.24 0.32 0.50 -0.69 0.00 0.00 178.15 178.60 2qt3 h LYS 290 N 1.10 0.74 -0.43 2.37 3.64 -1.90 0.35 116.57 122.44 2qt3 h LYS 290 Ca 0.29 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2qt3 h LYS 290 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2qt3 h LYS 290 CO -0.05 0.54 0.10 -0.07 -2.27 0.00 0.00 179.45 177.69 2qt3 h LEU 291 N 0.72 0.66 -0.48 5.20 3.38 -0.58 -1.65 115.31 122.57 2qt3 h LEU 291 Ca 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qt3 h LEU 291 Cb -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2qt3 h LEU 291 CO -0.04 0.73 0.12 -0.07 0.09 0.00 0.00 178.44 179.27 2qt3 h LEU 292 N 0.56 0.72 -1.57 1.67 3.38 -1.06 -1.40 115.31 117.61 2qt3 h LEU 292 Ca 0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2qt3 h LEU 292 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2qt3 h LEU 292 CO 0.00 0.76 -0.22 -0.33 0.09 0.00 0.00 178.44 178.74 2qt3 h GLU 293 N 0.65 0.00 0.00 1.13 4.39 -0.84 -1.60 114.58 118.31 2qt3 h GLU 293 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2qt3 h GLU 293 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2qt3 h GLU 293 CO 0.00 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 2qt3 n ALA 294 N -2.46 2.48 -0.62 3.43 0.00 -0.63 -4.90 120.51 117.81 2qt3 n ALA 294 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qt3 n ALA 294 Cb 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2qt3 n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qt3 n GLY 295 N 1.17 0.67 3.75 0.00 0.00 -0.60 -5.05 105.19 105.13 2qt3 n GLY 295 Ca 0.15 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2qt3 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qt3 s ILE 296 N -2.00 4.26 -0.47 -0.61 -1.09 -0.57 -4.99 121.20 115.73 2qt3 s ILE 296 Ca 0.00 1.97 -0.28 0.00 -2.23 0.00 0.00 60.65 60.11 2qt3 s ILE 296 Cb 0.00 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2qt3 s ILE 296 CO 0.00 0.46 1.08 0.21 -1.23 0.00 0.00 174.94 175.47 2qt3 s ASN 297 N -0.88 6.61 -0.16 3.58 2.47 -1.26 -4.40 114.94 120.88 2qt3 s ASN 297 Ca 0.41 0.40 -0.00 0.00 0.42 0.00 0.00 52.86 54.08 2qt3 s ASN 297 Cb -0.25 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.07 2qt3 s ASN 297 CO 0.30 -1.19 -0.07 -0.22 -3.72 0.00 0.00 177.10 172.19 2qt3 s LEU 298 N 4.26 1.70 0.00 3.21 2.96 -1.26 -1.11 118.68 128.43 2qt3 s LEU 298 Ca 0.45 -0.65 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2qt3 s LEU 298 Cb -0.08 -0.99 0.08 0.00 0.50 0.00 0.00 46.19 45.70 2qt3 s LEU 298 CO 0.30 -0.16 0.64 0.61 -1.32 0.00 0.00 176.35 176.42 2qt3 n GLY 299 N 4.84 1.70 3.19 7.98 0.00 0.30 -4.69 105.19 118.51 2qt3 n GLY 299 Ca -0.13 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 2qt3 n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt3 s ALA 301 N -3.57 -1.46 0.07 0.00 0.00 -0.95 -2.00 121.76 113.85 2qt3 s ALA 301 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2qt3 s ALA 301 Cb 0.05 0.76 -0.26 0.00 0.00 0.00 0.00 23.12 23.67 2qt3 s ALA 301 CO -0.03 -0.96 1.11 0.77 0.00 0.00 0.00 175.76 176.64 2qt3 h SER 302 N 2.00 0.30 0.00 0.00 0.02 -1.91 -0.38 113.55 113.58 2qt3 h SER 302 Ca -0.23 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2qt3 h SER 302 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2qt3 h SER 302 CO 0.27 1.27 0.00 -0.67 -1.14 0.00 0.00 176.83 176.56 2qt3 n ASP 303 N -3.45 -0.57 -4.55 3.07 2.03 0.16 -4.37 116.55 108.86 2qt3 n ASP 303 Ca -0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.84 2qt3 n ASP 303 Cb 1.01 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.44 2qt3 n ASP 303 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2qt3 n ASN 304 N -2.45 0.15 -3.81 1.67 3.02 -1.26 -4.33 115.26 108.25 2qt3 n ASN 304 Ca 0.00 0.86 -0.27 0.00 -0.03 0.00 0.00 54.58 55.14 2qt3 n ASN 304 Cb 0.00 -1.28 -0.17 0.00 -0.61 0.00 0.00 39.78 37.73 2qt3 n ASN 304 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qt3 s ILE 305 N -1.50 0.74 -1.17 2.41 1.01 -1.26 -4.80 121.20 116.62 2qt3 s ILE 305 Ca 0.68 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 2qt3 s ILE 305 Cb -0.49 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2qt3 s ILE 305 CO 0.53 0.01 0.74 0.54 0.00 0.00 0.00 174.94 176.77 2qt3 n ARG 306 N 4.99 -0.92 0.00 2.79 1.74 -0.26 -1.21 116.66 123.79 2qt3 n ARG 306 Ca -0.10 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2qt3 n ARG 306 Cb 0.48 -3.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.34 2qt3 n ARG 306 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2qt3 n ASP 307 N -2.50 0.27 -0.16 0.55 5.68 -0.20 -1.41 116.55 118.77 2qt3 n ASP 307 Ca -0.10 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.30 2qt3 n ASP 307 Cb 0.58 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.17 2qt3 n ASP 307 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2qt3 n PHE 308 N 0.00 0.04 -0.06 2.11 1.16 -1.26 -3.69 117.46 115.76 2qt3 n PHE 308 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 57.45 55.48 2qt3 n PHE 308 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 2qt3 n PHE 308 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 2qt3 n TRP 309 N -0.51 0.00 -3.65 2.97 7.02 -1.26 -4.74 117.44 117.27 2qt3 n TRP 309 Ca 0.17 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.46 2qt3 n TRP 309 Cb 0.16 -0.51 -0.16 0.00 -2.42 0.00 0.00 31.31 28.38 2qt3 n TRP 309 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2qt3 s VAL 310 N -2.26 -0.20 -0.12 -0.99 1.01 -1.24 -5.03 120.40 111.57 2qt3 s VAL 310 Ca -0.15 0.28 0.21 0.00 0.00 0.00 0.00 61.98 62.32 2qt3 s VAL 310 Cb 0.04 -0.32 0.22 0.00 0.00 0.00 0.00 36.38 36.32 2qt3 s VAL 310 CO 0.33 0.08 1.65 1.55 0.00 0.00 0.00 175.10 178.71 2qt3 h PRO 311 N 8.39 0.00 -7.58 2.72 0.13 -1.92 -0.32 132.00 133.41 2qt3 h PRO 311 Ca -0.13 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.54 2qt3 h PRO 311 Cb 1.12 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.39 2qt3 h PRO 311 CO 0.17 0.25 0.33 -0.06 -0.23 0.00 0.00 178.00 178.46 2qt3 s PHE 312 N -3.30 2.13 0.00 1.56 0.08 -1.26 -3.87 117.98 113.32 2qt3 s PHE 312 Ca 0.03 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2qt3 s PHE 312 Cb 0.08 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 2qt3 s PHE 312 CO 0.67 -2.51 0.00 0.41 -0.10 0.00 0.00 175.22 173.69 2qt3 n GLY 313 N -2.61 3.69 0.00 4.36 0.00 -1.26 -1.11 105.19 108.26 2qt3 n GLY 313 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2qt3 n GLY 313 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qt3 n ASN 314 N 0.00 0.35 -2.22 1.61 4.13 -1.26 -4.77 115.26 113.09 2qt3 n ASN 314 Ca 0.00 -0.99 -0.20 0.00 1.68 0.00 0.00 54.58 55.07 2qt3 n ASN 314 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 2qt3 n ASN 314 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qt3 n GLY 315 N 0.00 0.04 3.29 7.41 0.00 -1.26 -4.66 105.19 110.01 2qt3 n GLY 315 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qt3 n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qt3 s ASP 316 N -2.20 5.74 0.52 1.61 -1.08 -1.26 -4.37 116.67 115.62 2qt3 s ASP 316 Ca 0.00 -1.48 0.29 0.00 -0.52 0.00 0.00 52.55 50.84 2qt3 s ASP 316 Cb 0.00 -2.03 1.38 0.00 -1.46 0.00 0.00 42.92 40.81 2qt3 s ASP 316 CO 0.00 -0.56 2.02 0.24 0.52 0.00 0.00 175.17 177.38 2qt3 h MET 317 N 8.47 0.00 -0.04 4.34 2.86 -1.93 -0.63 114.93 128.02 2qt3 h MET 317 Ca -0.24 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.23 2qt3 h MET 317 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2qt3 h MET 317 CO 0.78 0.12 -0.73 0.28 1.06 0.00 0.00 176.91 178.42 2qt3 h VAL 318 N 0.00 1.44 -0.23 -2.22 2.07 -1.93 -0.44 116.25 114.94 2qt3 h VAL 318 Ca -0.00 -2.28 -0.20 0.00 0.82 0.00 0.00 66.70 65.03 2qt3 h VAL 318 Cb 0.45 2.22 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2qt3 h VAL 318 CO 0.02 0.67 -0.66 -0.61 0.02 0.00 0.00 177.57 177.01 2qt3 h GLN 319 N 0.14 0.85 -0.54 1.57 4.15 -1.76 -2.80 115.11 116.71 2qt3 h GLN 319 Ca -0.02 -0.61 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 2qt3 h GLN 319 Cb 1.29 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 2qt3 h GLN 319 CO 0.11 1.23 0.28 0.78 -1.93 0.00 0.00 178.83 179.30 2qt3 h GLY 320 N 0.62 0.80 0.97 2.39 0.00 -0.91 -1.12 103.07 105.83 2qt3 h GLY 320 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2qt3 h GLY 320 CO 0.14 0.34 0.22 0.00 0.00 0.00 0.00 176.54 177.23 2qt3 h ALA 321 N 1.56 0.66 -0.61 3.60 0.00 -0.92 -0.31 119.26 123.26 2qt3 h ALA 321 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qt3 h ALA 321 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2qt3 h ALA 321 CO -0.03 0.26 0.29 1.25 0.00 0.00 0.00 179.25 181.02 2qt3 h LEU 322 N 0.69 0.80 -1.10 0.00 5.85 -1.15 -2.05 115.31 118.34 2qt3 h LEU 322 Ca 0.17 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2qt3 h LEU 322 Cb 0.18 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2qt3 h LEU 322 CO -0.02 0.71 0.45 0.40 -0.34 0.00 0.00 178.44 179.65 2qt3 h ILE 323 N 0.83 1.22 -0.52 4.05 2.04 -0.84 -2.23 117.51 122.08 2qt3 h ILE 323 Ca 0.21 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2qt3 h ILE 323 Cb 0.13 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2qt3 h ILE 323 CO -0.02 0.24 -0.08 -0.33 0.00 0.00 0.00 178.15 177.96 2qt3 h GLU 324 N 1.08 0.94 -0.14 2.37 4.39 -0.56 -1.11 114.58 121.56 2qt3 h GLU 324 Ca 0.28 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2qt3 h GLU 324 Cb -0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2qt3 h GLU 324 CO -0.05 0.98 -0.10 1.79 -1.16 0.00 0.00 179.01 180.47 2qt3 h THR 325 N 0.85 1.15 0.22 1.13 1.35 -0.80 0.34 112.91 117.14 2qt3 h THR 325 Ca 0.14 -0.67 -0.32 0.00 -0.55 0.00 0.00 66.41 65.02 2qt3 h THR 325 Cb 0.61 1.16 0.04 0.00 -1.73 0.00 0.00 68.15 68.23 2qt3 h THR 325 CO 0.04 0.21 -1.37 1.56 -0.25 0.00 0.00 175.52 175.71 2qt3 h GLN 326 N 0.20 0.54 -0.44 4.72 1.08 -1.19 0.34 115.11 120.36 2qt3 h GLN 326 Ca 0.04 -0.87 -0.12 0.00 -1.45 0.00 0.00 58.65 56.25 2qt3 h GLN 326 Cb 0.31 0.32 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 2qt3 h GLN 326 CO 0.02 1.41 -0.20 0.00 -0.95 0.00 0.00 178.83 179.11 2qt3 h ARG 327 N 0.13 0.88 -0.01 1.46 3.08 -1.02 -3.04 114.38 115.87 2qt3 h ARG 327 Ca -0.23 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2qt3 h ARG 327 Cb 2.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2qt3 h ARG 327 CO 0.26 1.00 -0.35 1.28 -1.07 0.00 0.00 179.97 181.09 2qt3 n LEU 328 N -4.12 1.25 -3.48 3.04 4.77 0.09 -4.28 117.00 114.27 2qt3 n LEU 328 Ca 0.00 -0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 2qt3 n LEU 328 Cb 0.43 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2qt3 n LEU 328 CO 0.45 0.24 -0.02 1.21 -1.33 0.00 0.00 177.39 177.94 2qt3 n GLU 329 N -0.56 -2.69 -4.05 3.23 4.07 0.61 -5.01 120.64 116.24 2qt3 n GLU 329 Ca 0.11 0.69 -0.29 0.00 -0.06 0.00 0.00 57.16 57.60 2qt3 n GLU 329 Cb 0.38 -5.16 -0.06 0.00 -0.06 0.00 0.00 31.44 26.54 2qt3 n GLU 329 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2qt3 s LEU 330 N -6.04 3.86 0.00 4.31 1.43 0.88 -5.02 118.68 118.10 2qt3 s LEU 330 Ca 0.35 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2qt3 s LEU 330 Cb -0.08 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2qt3 s LEU 330 CO 0.79 0.14 0.00 0.29 0.23 0.00 0.00 176.35 177.80 2qt3 n LYS 331 N 0.21 0.00 -1.24 1.70 5.02 -1.26 -4.78 118.16 117.80 2qt3 n LYS 331 Ca -0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 2qt3 n LYS 331 Cb 0.52 -0.45 0.12 0.00 -0.02 0.00 0.00 35.03 35.20 2qt3 n LYS 331 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qt3 s THR 332 N -1.00 2.05 0.39 -0.18 -4.23 -1.26 -4.80 115.64 106.60 2qt3 s THR 332 Ca 0.00 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 2qt3 s THR 332 Cb 0.00 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.50 2qt3 s THR 332 CO 0.00 -0.01 1.97 0.78 -0.54 0.00 0.00 174.62 176.82 2qt3 h ASN 333 N -0.61 0.40 -0.15 3.99 -0.26 -2.00 -1.57 115.58 115.38 2qt3 h ASN 333 Ca -0.47 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.19 2qt3 h ASN 333 Cb 1.30 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 2qt3 h ASN 333 CO 0.48 0.40 -0.02 -0.09 -1.06 0.00 0.00 177.43 177.14 2qt3 h ARG 334 N 0.44 0.28 -0.59 0.81 2.43 -1.98 0.10 114.38 115.87 2qt3 h ARG 334 Ca 0.11 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2qt3 h ARG 334 Cb 0.16 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2qt3 h ARG 334 CO -0.00 0.53 0.29 -0.44 -1.51 0.00 0.00 179.97 178.84 2qt3 h ASP 335 N 0.00 0.76 0.11 -3.80 3.32 -1.84 0.24 116.42 115.22 2qt3 h ASP 335 Ca 0.04 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2qt3 h ASP 335 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2qt3 h ASP 335 CO 0.01 0.67 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.89 2qt3 h LEU 336 N 0.80 0.22 -0.77 1.55 4.07 -1.27 -1.44 115.31 118.47 2qt3 h LEU 336 Ca 0.20 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 2qt3 h LEU 336 Cb 0.11 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 2qt3 h LEU 336 CO -0.03 0.48 0.07 1.23 -1.08 0.00 0.00 178.44 179.11 2qt3 h GLY 337 N 0.94 1.08 1.34 0.83 0.00 -0.10 -1.07 103.07 106.10 2qt3 h GLY 337 Ca 0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.53 2qt3 h GLY 337 CO 0.04 0.67 -0.26 1.41 0.00 0.00 0.00 176.54 178.40 2qt3 h LEU 338 N 0.94 0.77 -1.07 3.11 3.38 -0.24 -1.95 115.31 120.25 2qt3 h LEU 338 Ca 0.18 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2qt3 h LEU 338 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qt3 h LEU 338 CO 0.02 0.99 -0.18 0.40 0.09 0.00 0.00 178.44 179.75 2qt3 h ILE 339 N 0.65 1.24 -0.46 1.22 1.08 -0.93 -1.04 117.51 119.26 2qt3 h ILE 339 Ca 0.08 -1.10 -0.11 0.00 -0.39 0.00 0.00 64.86 63.35 2qt3 h ILE 339 Cb 0.77 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 2qt3 h ILE 339 CO 0.06 0.35 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.47 2qt3 h TRP 340 N 0.41 0.99 -0.78 1.37 2.91 -0.86 -2.42 115.95 117.58 2qt3 h TRP 340 Ca 0.07 -0.21 -0.02 0.00 1.13 0.00 0.00 58.89 59.86 2qt3 h TRP 340 Cb 0.55 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 2qt3 h TRP 340 CO 0.02 0.97 0.39 0.87 -1.03 0.00 0.00 178.44 179.65 2qt3 h LYS 341 N 0.78 1.11 -0.84 2.65 1.79 -0.75 -2.39 116.57 118.92 2qt3 h LYS 341 Ca 0.12 -0.15 0.08 0.00 -2.18 0.00 0.00 60.65 58.51 2qt3 h LYS 341 Cb 0.68 -0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 2qt3 h LYS 341 CO 0.05 0.85 0.50 1.98 -1.08 0.00 0.00 179.45 181.75 2qt3 h MET 342 N 1.09 0.86 -0.12 3.15 4.05 -0.75 -0.42 114.93 122.80 2qt3 h MET 342 Ca 0.27 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2qt3 h MET 342 Cb 0.09 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2qt3 h MET 342 CO -0.04 0.57 0.00 0.44 0.23 0.00 0.00 176.91 178.11 2qt3 n ILE 343 N -4.68 0.15 0.00 1.77 -5.35 -0.94 -3.13 119.36 107.18 2qt3 n ILE 343 Ca 0.13 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2qt3 n ILE 343 Cb 0.22 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 2qt3 n ILE 343 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2qt3 n THR 344 N -0.06 0.00 -0.23 7.28 -2.24 -0.30 -1.86 114.28 116.86 2qt3 n THR 344 Ca 0.14 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 2qt3 n THR 344 Cb 0.23 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 2qt3 n THR 344 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qt3 h SER 345 N 0.00 0.83 -0.77 3.42 4.64 -1.73 -1.51 113.55 118.42 2qt3 h SER 345 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2qt3 h SER 345 Cb 0.00 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 2qt3 h SER 345 CO 0.00 0.57 0.40 -0.33 -0.87 0.00 0.00 176.83 176.60 2qt3 h GLU 346 N 0.96 1.09 -0.50 4.77 4.39 -1.39 -0.96 114.58 122.95 2qt3 h GLU 346 Ca 0.31 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2qt3 h GLU 346 Cb 0.05 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2qt3 h GLU 346 CO -0.09 0.83 0.01 0.78 -1.16 0.00 0.00 179.01 179.38 2qt3 h GLY 347 N 1.08 0.89 1.00 -3.84 0.00 -1.33 -1.68 103.07 99.18 2qt3 h GLY 347 Ca 0.27 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2qt3 h GLY 347 CO -0.04 0.55 0.37 0.00 0.00 0.00 0.00 176.54 177.42 2qt3 h ALA 348 N 1.24 0.81 -0.62 3.60 0.00 -0.57 -1.10 119.26 122.62 2qt3 h ALA 348 Ca 0.15 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2qt3 h ALA 348 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qt3 h ALA 348 CO 0.02 0.30 0.07 0.00 0.00 0.00 0.00 179.25 179.63 2qt3 h ARG 349 N 0.86 1.05 -0.84 0.00 3.08 -0.84 0.47 114.38 118.15 2qt3 h ARG 349 Ca 0.22 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2qt3 h ARG 349 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 2qt3 h ARG 349 CO -0.04 0.99 0.54 0.28 -1.07 0.00 0.00 179.97 180.67 2qt3 h VAL 350 N 0.95 1.13 0.00 2.04 2.07 -0.80 -0.08 116.25 121.56 2qt3 h VAL 350 Ca 0.18 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qt3 h VAL 350 Cb 0.48 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qt3 h VAL 350 CO 0.02 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2qt3 n LEU 351 N -4.57 0.00 -0.64 2.57 4.32 -0.46 -4.93 117.00 113.29 2qt3 n LEU 351 Ca 0.10 0.43 -0.06 0.00 -0.02 0.00 0.00 56.01 56.46 2qt3 n LEU 351 Cb 0.09 -0.43 -0.01 0.00 -1.62 0.00 0.00 43.42 41.45 2qt3 n LEU 351 CO 0.34 -0.03 -0.07 0.61 -1.22 0.00 0.00 177.39 177.02 2qt3 n GLY 352 N 1.25 0.42 0.53 -0.72 0.00 0.00 -4.95 105.19 101.73 2qt3 n GLY 352 Ca 0.09 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2qt3 n GLY 352 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qt3 n ILE 353 N -3.52 2.12 0.07 -0.61 -5.35 -0.31 -4.78 119.36 106.98 2qt3 n ILE 353 Ca -0.07 -2.09 0.12 0.00 -0.27 0.00 0.00 62.75 60.44 2qt3 n ILE 353 Cb 0.42 -0.25 0.59 0.00 -1.74 0.00 0.00 39.64 38.66 2qt3 n ILE 353 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2qt3 h GLU 354 N 0.97 0.17 -0.47 6.28 9.09 -1.89 -2.32 114.58 126.40 2qt3 h GLU 354 Ca 0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 2qt3 h GLU 354 Cb 1.25 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 2qt3 h GLU 354 CO 0.13 0.11 0.24 0.87 0.05 0.00 0.00 179.01 180.41 2qt3 h LYS 355 N 0.17 0.65 -0.25 1.06 1.57 -1.94 -2.61 116.57 115.21 2qt3 h LYS 355 Ca 0.16 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2qt3 h LYS 355 Cb 0.42 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qt3 h LYS 355 CO -0.02 0.49 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 2qt3 n ASN 356 N -4.40 2.99 -4.80 0.86 3.02 -0.96 -4.94 115.26 107.03 2qt3 n ASN 356 Ca 0.04 -1.88 -0.36 0.00 -0.03 0.00 0.00 54.58 52.35 2qt3 n ASN 356 Cb 0.11 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 2qt3 n ASN 356 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qt3 s TYR 357 N -1.36 3.46 0.00 3.10 5.04 -0.92 -3.10 117.35 123.58 2qt3 s TYR 357 Ca 0.29 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2qt3 s TYR 357 Cb 0.18 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.52 2qt3 s TYR 357 CO 0.25 0.56 0.00 0.41 -1.34 0.00 0.00 175.55 175.44 2qt3 n GLY 358 N 2.41 3.76 3.52 8.97 0.00 -1.26 -4.91 105.19 117.68 2qt3 n GLY 358 Ca -0.19 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2qt3 n GLY 358 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qt3 s ILE 359 N -2.17 4.49 0.02 -0.61 -1.09 -1.26 -4.72 121.20 115.86 2qt3 s ILE 359 Ca 0.00 -1.95 -0.15 0.00 -2.23 0.00 0.00 60.65 56.32 2qt3 s ILE 359 Cb 0.00 -5.02 0.02 0.00 -1.58 0.00 0.00 42.46 35.88 2qt3 s ILE 359 CO 0.00 -1.80 0.32 -0.70 -1.23 0.00 0.00 174.94 171.52 2qt3 s GLU 360 N 3.21 0.77 0.12 2.79 2.56 -1.26 -5.07 118.70 121.83 2qt3 s GLU 360 Ca 0.46 -0.38 -0.34 0.00 0.00 0.00 0.00 54.97 54.71 2qt3 s GLU 360 Cb -0.00 0.34 -0.14 0.00 2.00 0.00 0.00 34.13 36.32 2qt3 s GLU 360 CO 0.00 -0.24 1.57 0.28 -0.56 0.00 0.00 175.26 176.32 2qt3 n VAL 361 N 0.82 0.06 0.00 3.70 0.31 -1.26 -1.79 118.33 120.17 2qt3 n VAL 361 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2qt3 n VAL 361 Cb 0.58 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 2qt3 n VAL 361 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qt3 n GLY 362 N 3.38 2.49 3.95 2.92 0.00 -0.63 -5.04 105.19 112.26 2qt3 n GLY 362 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2qt3 n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt3 s LYS 363 N -0.93 2.99 0.29 1.61 1.02 -0.74 -4.85 119.74 119.13 2qt3 s LYS 363 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 2qt3 s LYS 363 Cb 0.00 -2.53 -0.13 0.00 -0.52 0.00 0.00 37.83 34.64 2qt3 s LYS 363 CO 0.00 -0.36 1.21 1.63 -0.92 0.00 0.00 175.35 176.91 2qt3 n LYS 364 N -2.14 1.78 -1.83 1.68 4.76 -1.18 -2.67 118.16 118.55 2qt3 n LYS 364 Ca 0.02 0.63 -0.41 0.00 -2.87 0.00 0.00 58.31 55.68 2qt3 n LYS 364 Cb 0.58 -2.14 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 2qt3 n LYS 364 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qt3 n ALA 365 N 0.70 6.27 -3.68 7.82 0.00 -0.39 -4.75 120.51 126.48 2qt3 n ALA 365 Ca 0.08 -3.95 -0.36 0.00 0.00 0.00 0.00 53.44 49.22 2qt3 n ALA 365 Cb 0.33 -3.20 -0.12 0.00 0.00 0.00 0.00 19.45 16.45 2qt3 n ALA 365 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qt3 s ASP 366 N 1.77 5.19 0.11 0.00 1.01 -1.26 -1.68 116.67 121.83 2qt3 s ASP 366 Ca 0.52 -1.75 0.00 0.00 0.71 0.00 0.00 52.55 52.03 2qt3 s ASP 366 Cb 0.15 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 2qt3 s ASP 366 CO -0.06 -0.46 -0.01 -0.76 0.21 0.00 0.00 175.17 174.09 2qt3 s LEU 367 N 1.20 2.22 -0.07 1.23 1.02 0.53 -2.82 118.68 121.99 2qt3 s LEU 367 Ca 0.04 -1.10 0.02 0.00 0.02 0.00 0.00 54.13 53.11 2qt3 s LEU 367 Cb -0.22 0.09 0.02 0.00 0.02 0.00 0.00 46.19 46.10 2qt3 s LEU 367 CO -0.03 -0.59 -0.10 -0.69 0.02 0.00 0.00 176.35 174.97 2qt3 s VAL 368 N -3.81 0.98 -0.33 -1.59 1.01 0.33 0.15 120.40 117.15 2qt3 s VAL 368 Ca 0.17 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 2qt3 s VAL 368 Cb 0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2qt3 s VAL 368 CO -0.02 0.33 0.23 -0.69 0.00 0.00 0.00 175.10 174.95 2qt3 s VAL 369 N 0.90 5.25 0.46 2.92 1.01 0.98 -1.49 120.40 130.43 2qt3 s VAL 369 Ca -0.10 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2qt3 s VAL 369 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2qt3 s VAL 369 CO 0.01 0.03 0.67 -0.76 0.00 0.00 0.00 175.10 175.05 2qt3 s LEU 370 N 1.72 3.60 -0.46 3.92 1.02 -0.55 -0.71 118.68 127.22 2qt3 s LEU 370 Ca 0.06 0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.40 2qt3 s LEU 370 Cb -0.17 -3.04 0.59 0.00 0.02 0.00 0.00 46.19 43.59 2qt3 s LEU 370 CO 0.10 -0.78 1.85 -3.20 0.02 0.00 0.00 176.35 174.34 2qt3 n ASN 371 N -2.09 4.40 -4.17 2.29 5.15 -1.25 -4.46 115.26 115.14 2qt3 n ASN 371 Ca 0.03 -3.68 -0.12 0.00 -0.60 0.00 0.00 54.58 50.20 2qt3 n ASN 371 Cb 0.58 -0.82 -0.10 0.00 -0.53 0.00 0.00 39.78 38.91 2qt3 n ASN 371 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qt3 s SER 372 N -1.69 1.26 0.31 1.20 0.01 -1.26 -4.93 113.70 108.60 2qt3 s SER 372 Ca 0.56 -0.89 0.14 0.00 1.31 0.00 0.00 55.95 57.08 2qt3 s SER 372 Cb 0.47 0.05 0.44 0.00 0.21 0.00 0.00 66.02 67.19 2qt3 s SER 372 CO 0.06 -0.35 1.63 -0.07 0.41 0.00 0.00 173.24 174.92 2qt3 h LEU 373 N 3.34 0.00 -7.89 2.44 3.38 -1.90 0.11 115.31 114.78 2qt3 h LEU 373 Ca -0.36 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.71 2qt3 h LEU 373 Cb 1.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2qt3 h LEU 373 CO 0.58 0.53 0.36 -0.94 0.09 0.00 0.00 178.44 179.06 2qt3 s SER 374 N -6.64 -0.15 0.21 -0.43 1.04 -1.26 -3.94 113.70 102.52 2qt3 s SER 374 Ca -0.00 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 2qt3 s SER 374 Cb 0.11 0.65 0.27 0.00 0.10 0.00 0.00 66.02 67.16 2qt3 s SER 374 CO 0.73 -1.24 1.75 -0.65 0.98 0.00 0.00 173.24 174.81 2qt3 h PRO 375 N 2.00 0.42 0.31 4.02 0.11 -1.98 0.16 132.00 137.05 2qt3 h PRO 375 Ca -0.24 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2qt3 h PRO 375 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qt3 h PRO 375 CO 0.29 0.28 -0.15 1.96 -0.21 0.00 0.00 178.00 180.17 2qt3 h GLN 376 N 0.43 -0.40 -0.20 1.05 7.50 -1.92 -1.54 115.11 120.03 2qt3 h GLN 376 Ca 0.30 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.44 2qt3 h GLN 376 Cb 0.35 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 2qt3 h GLN 376 CO -0.29 -0.26 -0.06 -1.49 -1.50 0.00 0.00 178.83 175.23 2qt3 h TRP 377 N -0.43 0.30 -0.43 2.96 -0.00 -1.85 -1.37 115.95 115.14 2qt3 h TRP 377 Ca -0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.73 2qt3 h TRP 377 Cb 0.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 2qt3 h TRP 377 CO -0.05 0.36 -0.07 0.00 -0.00 0.00 0.00 178.44 178.68 2qt3 h ALA 378 N 1.66 0.59 -0.42 1.49 0.00 -0.46 1.15 119.26 123.26 2qt3 h ALA 378 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2qt3 h ALA 378 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qt3 h ALA 378 CO 0.01 0.44 0.15 0.82 0.00 0.00 0.00 179.25 180.68 2qt3 h ILE 379 N 0.64 1.21 -0.11 0.00 2.04 -0.93 -0.59 117.51 119.76 2qt3 h ILE 379 Ca 0.11 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2qt3 h ILE 379 Cb 0.59 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2qt3 h ILE 379 CO 0.04 0.24 -0.08 0.40 0.00 0.00 0.00 178.15 178.74 2qt3 h ILE 380 N 0.54 1.35 -0.61 -0.67 2.04 -1.02 -3.33 117.51 115.80 2qt3 h ILE 380 Ca 0.14 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2qt3 h ILE 380 Cb 0.22 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2qt3 h ILE 380 CO -0.01 0.34 0.13 0.44 0.00 0.00 0.00 178.15 179.05 2qt3 h ASP 381 N -0.14 0.94 -3.17 1.72 3.32 0.14 -3.47 116.42 115.76 2qt3 h ASP 381 Ca 0.02 -0.24 -0.41 0.00 0.02 0.00 0.00 57.03 56.41 2qt3 h ASP 381 Cb 0.58 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2qt3 h ASP 381 CO 0.02 0.94 -0.53 0.00 -1.72 0.00 0.00 179.24 177.95 2qt3 n GLN 382 N -4.32 -1.97 -2.45 3.56 1.13 -0.24 -4.94 117.38 108.15 2qt3 n GLN 382 Ca 0.03 0.99 -0.36 0.00 -1.94 0.00 0.00 57.00 55.72 2qt3 n GLN 382 Cb 0.26 -5.67 -0.03 0.00 0.11 0.00 0.00 30.24 24.91 2qt3 n GLN 382 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qt3 s ALA 383 N -3.04 2.96 0.70 -1.58 0.00 -1.26 -5.00 121.76 114.53 2qt3 s ALA 383 Ca 0.03 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 2qt3 s ALA 383 Cb -0.01 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2qt3 s ALA 383 CO 0.03 -0.40 1.21 0.15 0.00 0.00 0.00 175.76 176.75 2qt3 s LYS 384 N -2.83 2.35 0.33 0.00 1.02 -1.26 -4.75 119.74 114.59 2qt3 s LYS 384 Ca 0.63 1.77 -0.28 0.00 0.02 0.00 0.00 55.97 58.11 2qt3 s LYS 384 Cb -0.22 -1.86 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 2qt3 s LYS 384 CO 0.27 -1.68 1.20 1.03 -0.92 0.00 0.00 175.35 175.25 2qt3 s ARG 385 N -3.79 4.41 -0.06 1.68 1.81 -1.26 -3.76 118.95 117.98 2qt3 s ARG 385 Ca 0.75 1.97 0.09 0.00 -1.72 0.00 0.00 55.73 56.83 2qt3 s ARG 385 Cb -0.29 -3.03 -0.24 0.00 -0.45 0.00 0.00 34.95 30.93 2qt3 s ARG 385 CO 0.43 -0.05 0.60 1.28 -0.68 0.00 0.00 175.30 176.87 2qt3 n LEU 386 N 0.80 1.18 -3.61 2.53 4.77 0.11 -4.26 117.00 118.53 2qt3 n LEU 386 Ca 0.00 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2qt3 n LEU 386 Cb 0.44 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 2qt3 n LEU 386 CO 0.55 0.48 0.48 0.00 -1.33 0.00 0.00 177.39 177.57 2qt3 s VAL 388 N 0.09 1.45 -0.09 0.00 1.01 -0.70 -0.01 120.40 122.14 2qt3 s VAL 388 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2qt3 s VAL 388 Cb -0.04 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2qt3 s VAL 388 CO 0.01 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 2qt3 s ILE 389 N 0.56 1.65 -0.07 2.22 1.01 0.12 -1.33 121.20 125.36 2qt3 s ILE 389 Ca -0.16 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2qt3 s ILE 389 Cb -0.17 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.86 2qt3 s ILE 389 CO 0.05 0.47 -0.10 -0.75 0.00 0.00 0.00 174.94 174.61 2qt3 s LYS 390 N 0.59 1.53 -1.48 2.79 2.20 0.22 -0.35 119.74 125.25 2qt3 s LYS 390 Ca -0.15 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.01 2qt3 s LYS 390 Cb -0.17 -1.34 0.06 0.00 -1.51 0.00 0.00 37.83 34.87 2qt3 s LYS 390 CO 0.05 -0.04 1.03 0.09 -0.36 0.00 0.00 175.35 176.12 2qt3 n ASN 391 N 4.04 -5.34 0.00 1.43 3.02 -1.02 -1.33 115.26 116.06 2qt3 n ASN 391 Ca -0.21 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2qt3 n ASN 391 Cb 0.51 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 2qt3 n ASN 391 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qt3 n GLY 392 N -1.78 0.57 3.54 7.41 0.00 -0.67 -4.06 105.19 110.19 2qt3 n GLY 392 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2qt3 n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qt3 s ARG 393 N -0.42 2.47 -0.35 1.61 0.52 -0.44 -4.91 118.95 117.43 2qt3 s ARG 393 Ca 0.00 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.19 2qt3 s ARG 393 Cb 0.00 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2qt3 s ARG 393 CO 0.00 0.60 0.98 0.42 0.02 0.00 0.00 175.30 177.33 2qt3 s ILE 394 N -0.90 4.55 -0.26 1.52 1.01 -1.26 -0.61 121.20 125.25 2qt3 s ILE 394 Ca 0.15 1.40 0.12 0.00 0.00 0.00 0.00 60.65 62.32 2qt3 s ILE 394 Cb -0.11 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 2qt3 s ILE 394 CO 0.05 -0.52 0.38 2.30 0.00 0.00 0.00 174.94 177.14 2qt3 n ILE 395 N 5.96 0.00 -3.95 2.92 -5.35 -0.44 -4.54 119.36 113.96 2qt3 n ILE 395 Ca 0.09 -0.26 -0.18 0.00 -0.27 0.00 0.00 62.75 62.13 2qt3 n ILE 395 Cb 0.48 0.55 -0.16 0.00 -1.74 0.00 0.00 39.64 38.76 2qt3 n ILE 395 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2qt3 s VAL 396 N -2.57 0.26 -0.18 7.28 1.01 -1.11 0.04 120.40 125.13 2qt3 s VAL 396 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2qt3 s VAL 396 Cb 0.09 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.17 2qt3 s VAL 396 CO 0.51 0.18 0.06 -0.75 0.00 0.00 0.00 175.10 175.10 2qt3 s LYS 397 N 1.17 0.35 -0.62 2.72 2.20 -0.55 -1.72 119.74 123.29 2qt3 s LYS 397 Ca -0.08 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2qt3 s LYS 397 Cb -0.13 -1.95 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 2qt3 s LYS 397 CO -0.02 -0.65 0.65 -0.25 -0.36 0.00 0.00 175.35 174.73 2qt3 n ASP 398 N 5.17 -7.50 -2.42 1.43 8.00 -1.09 -3.31 116.55 116.82 2qt3 n ASP 398 Ca -0.08 0.07 -0.06 0.00 0.71 0.00 0.00 54.79 55.43 2qt3 n ASP 398 Cb 0.48 -4.86 -0.00 0.00 -0.02 0.00 0.00 41.12 36.72 2qt3 n ASP 398 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2qt3 n GLU 399 N -1.22 -2.54 -3.75 -1.24 2.13 -1.26 -4.92 120.64 107.83 2qt3 n GLU 399 Ca 0.01 0.31 -0.13 0.00 0.66 0.00 0.00 57.16 58.01 2qt3 n GLU 399 Cb 0.51 -4.84 -0.14 0.00 0.27 0.00 0.00 31.44 27.24 2qt3 n GLU 399 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2qt3 s VAL 400 N -2.29 -0.04 -0.15 6.31 0.11 -1.21 -5.10 120.40 118.03 2qt3 s VAL 400 Ca 0.00 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 2qt3 s VAL 400 Cb 0.00 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2qt3 s VAL 400 CO 0.00 0.06 1.45 -0.63 -3.33 0.00 0.00 175.10 172.65 2qt3 s ILE 401 N 1.08 3.95 0.00 7.04 1.01 -1.26 -1.48 121.20 131.53 2qt3 s ILE 401 Ca -0.08 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2qt3 s ILE 401 Cb -0.10 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2qt3 s ILE 401 CO -0.06 -0.18 0.00 0.52 0.00 0.00 0.00 174.94 175.22 2qt3 n VAL 402 N 5.68 0.00 0.83 2.92 0.31 0.11 -4.97 118.33 123.21 2qt3 n VAL 402 Ca 0.16 0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.61 2qt3 n VAL 402 Cb 0.44 -0.40 0.08 0.00 -0.91 0.00 0.00 33.84 33.06 2qt3 n VAL 402 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51