#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fds s ILE 2 N 0.00 2.02 -0.14 1.12 1.01 -1.26 -4.28 121.20 119.67 3fds s ILE 2 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 3fds s ILE 2 Cb 0.00 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3fds s ILE 2 CO 0.00 0.41 0.01 -0.69 0.00 0.00 0.00 174.94 174.67 3fds s VAL 3 N 1.28 4.36 -0.23 2.92 1.01 -0.02 -1.27 120.40 128.45 3fds s VAL 3 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3fds s VAL 3 Cb -0.14 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3fds s VAL 3 CO -0.11 0.53 -0.11 -0.22 0.00 0.00 0.00 175.10 175.18 3fds s LEU 4 N -0.10 2.91 -0.14 3.92 0.20 0.58 -2.04 118.68 124.01 3fds s LEU 4 Ca 0.05 -0.89 -0.06 0.00 0.69 0.00 0.00 54.13 53.92 3fds s LEU 4 Cb -0.13 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 3fds s LEU 4 CO 0.02 -0.10 0.05 0.12 -0.29 0.00 0.00 176.35 176.15 3fds s PHE 5 N 1.27 3.28 -0.12 5.38 5.36 0.90 -0.09 117.98 133.95 3fds s PHE 5 Ca -0.00 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.17 3fds s PHE 5 Cb -0.16 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3fds s PHE 5 CO -0.07 0.34 -0.21 0.08 -1.46 0.00 0.00 175.22 173.89 3fds s VAL 6 N -0.23 2.22 -0.20 3.12 1.01 0.21 -0.54 120.40 126.00 3fds s VAL 6 Ca 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3fds s VAL 6 Cb -0.12 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.42 3fds s VAL 6 CO 0.01 0.55 -0.12 -0.62 0.00 0.00 0.00 175.10 174.92 3fds s ASP 7 N 0.56 3.37 0.21 3.32 -1.08 -0.23 -1.15 116.67 121.68 3fds s ASP 7 Ca -0.12 -0.86 -0.30 0.00 -0.52 0.00 0.00 52.55 50.75 3fds s ASP 7 Cb -0.17 -1.28 -0.09 0.00 -1.46 0.00 0.00 42.92 39.93 3fds s ASP 7 CO 0.04 -0.12 1.19 -0.36 0.52 0.00 0.00 175.17 176.44 3fds s PHE 8 N 1.37 3.42 0.07 -5.34 0.08 -0.39 -0.50 117.98 116.70 3fds s PHE 8 Ca -0.01 1.47 -0.30 0.00 0.12 0.00 0.00 56.93 58.21 3fds s PHE 8 Cb -0.16 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 3fds s PHE 8 CO -0.09 -1.15 1.04 -0.51 -0.10 0.00 0.00 175.22 174.41 3fds s ASP 9 N -0.10 7.34 -1.08 1.36 1.01 -0.88 -3.96 116.67 120.35 3fds s ASP 9 Ca 0.51 1.84 -0.08 0.00 0.71 0.00 0.00 52.55 55.53 3fds s ASP 9 Cb -0.33 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.03 3fds s ASP 9 CO 0.39 -0.24 0.15 0.00 0.21 0.00 0.00 175.17 175.68 3fds n TYR 10 N 3.33 -0.96 0.09 4.23 0.18 -1.26 -4.54 117.16 118.23 3fds n TYR 10 Ca 0.05 0.33 -0.14 0.00 1.88 0.00 0.00 57.90 60.01 3fds n TYR 10 Cb 0.49 -2.07 -0.07 0.00 -0.38 0.00 0.00 39.34 37.30 3fds n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fds h PHE 11 N -1.11 -1.21 -0.62 -3.48 3.57 -1.95 0.44 116.94 112.58 3fds h PHE 11 Ca -0.50 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.08 3fds h PHE 11 Cb 1.04 0.52 -0.05 0.00 2.79 0.00 0.00 35.95 40.25 3fds h PHE 11 CO 0.35 -0.52 0.35 1.88 -2.23 0.00 0.00 178.31 178.14 3fds h TYR 12 N -0.63 0.64 -0.15 0.41 0.05 -1.94 -0.77 116.97 114.57 3fds h TYR 12 Ca 0.03 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.70 3fds h TYR 12 Cb 0.68 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3fds h TYR 12 CO -0.39 0.32 -0.47 0.00 -1.05 0.00 0.00 178.16 176.57 3fds h ALA 13 N 1.31 0.92 -0.53 3.88 0.00 -1.66 -2.37 119.26 120.82 3fds h ALA 13 Ca 0.27 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3fds h ALA 13 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fds h ALA 13 CO -0.16 0.65 0.17 0.37 0.00 0.00 0.00 179.25 180.28 3fds h GLN 14 N 0.30 0.81 -0.70 0.00 4.15 -0.03 -1.82 115.11 117.82 3fds h GLN 14 Ca 0.02 -0.17 0.06 0.00 0.77 0.00 0.00 58.65 59.33 3fds h GLN 14 Cb 0.94 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.45 3fds h GLN 14 CO 0.08 0.74 0.41 0.28 -1.93 0.00 0.00 178.83 178.41 3fds h VAL 15 N 0.72 0.99 -0.96 2.39 2.07 -1.04 -1.37 116.25 119.05 3fds h VAL 15 Ca 0.17 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3fds h VAL 15 Cb 0.26 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3fds h VAL 15 CO -0.01 0.14 0.63 -0.33 0.02 0.00 0.00 177.57 178.02 3fds h GLU 16 N 0.75 1.24 -0.90 1.57 4.39 -1.09 -1.25 114.58 119.28 3fds h GLU 16 Ca 0.31 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3fds h GLU 16 Cb 0.17 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 3fds h GLU 16 CO -0.17 0.82 0.53 0.93 -1.16 0.00 0.00 179.01 179.96 3fds h GLU 17 N 1.28 1.24 -0.33 2.33 5.08 -0.55 -0.63 114.58 122.99 3fds h GLU 17 Ca 0.36 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3fds h GLU 17 Cb -0.12 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.86 3fds h GLU 17 CO -0.08 0.87 0.17 0.28 -1.00 0.00 0.00 179.01 179.25 3fds h VAL 18 N 1.25 1.15 -0.09 3.13 2.07 -0.91 -1.68 116.25 121.17 3fds h VAL 18 Ca 0.32 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3fds h VAL 18 Cb -0.03 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3fds h VAL 18 CO -0.06 0.15 -0.26 -0.07 0.02 0.00 0.00 177.57 177.35 3fds h LEU 19 N 0.40 0.16 -6.50 2.57 4.07 -1.06 -3.36 115.31 111.60 3fds h LEU 19 Ca 0.11 -0.04 -0.59 0.00 0.08 0.00 0.00 57.88 57.44 3fds h LEU 19 Cb 0.09 -0.04 -0.39 0.00 1.08 0.00 0.00 40.66 41.40 3fds h LEU 19 CO -0.02 0.42 -0.91 0.21 -1.08 0.00 0.00 178.44 177.07 3fds s ASN 20 N -6.90 2.18 0.30 -0.43 3.84 -0.26 -5.00 114.94 108.66 3fds s ASN 20 Ca -0.04 -2.79 0.22 0.00 0.21 0.00 0.00 52.86 50.45 3fds s ASN 20 Cb 0.15 -0.50 1.10 0.00 -0.55 0.00 0.00 41.25 41.44 3fds s ASN 20 CO 0.74 -0.22 1.66 -2.65 -2.79 0.00 0.00 177.10 173.84 3fds n PRO 21 N 3.23 0.15 0.00 0.43 -0.02 -0.65 -0.77 135.00 137.39 3fds n PRO 21 Ca 0.23 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 3fds n PRO 21 Cb 0.43 -1.93 0.36 0.00 -0.02 0.00 0.00 33.50 32.34 3fds n PRO 21 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fds n SER 22 N -2.24 0.00 0.08 2.55 3.41 -1.26 -2.03 113.62 114.13 3fds n SER 22 Ca -0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.52 3fds n SER 22 Cb 0.09 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3fds n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fds h LEU 23 N 0.00 0.00 -9.69 1.04 3.38 -1.25 -3.48 115.31 105.31 3fds h LEU 23 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3fds h LEU 23 Cb 0.07 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.92 3fds h LEU 23 CO 0.00 0.51 0.64 0.29 0.09 0.00 0.00 178.44 179.97 3fds n LYS 24 N -3.01 2.23 -0.19 1.13 5.02 -0.86 -1.93 118.16 120.55 3fds n LYS 24 Ca -0.04 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3fds n LYS 24 Cb 0.78 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3fds n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fds n GLY 25 N 1.67 1.76 3.77 0.72 0.00 -1.26 -5.02 105.19 106.83 3fds n GLY 25 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3fds n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fds s LYS 26 N -0.30 2.75 0.13 1.61 1.02 -0.81 -4.98 119.74 119.16 3fds s LYS 26 Ca 0.00 -1.13 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 3fds s LYS 26 Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 3fds s LYS 26 CO 0.00 0.40 1.55 -2.14 -0.92 0.00 0.00 175.35 174.24 3fds s PRO 27 N -3.72 4.23 -0.08 -1.68 0.02 -1.26 -4.77 135.00 127.74 3fds s PRO 27 Ca 0.32 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.66 3fds s PRO 27 Cb -0.08 -3.27 0.01 0.00 0.02 0.00 0.00 34.50 31.18 3fds s PRO 27 CO 0.23 -0.60 -0.18 0.08 -0.33 0.00 0.00 177.00 176.20 3fds s VAL 28 N 1.47 1.57 -0.18 3.83 1.01 -1.26 -1.68 120.40 125.17 3fds s VAL 28 Ca 0.70 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3fds s VAL 28 Cb -0.41 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.63 3fds s VAL 28 CO 0.31 0.45 -0.00 -0.69 0.00 0.00 0.00 175.10 175.17 3fds s VAL 29 N 0.45 0.76 -0.21 2.92 1.01 0.96 -1.65 120.40 124.64 3fds s VAL 29 Ca -0.15 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3fds s VAL 29 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3fds s VAL 29 CO 0.06 -0.05 0.38 -0.69 0.00 0.00 0.00 175.10 174.80 3fds s VAL 30 N 1.76 5.20 0.10 2.92 1.01 0.37 -0.19 120.40 131.58 3fds s VAL 30 Ca -0.00 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.73 3fds s VAL 30 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3fds s VAL 30 CO -0.07 0.24 -0.23 0.00 0.00 0.00 0.00 175.10 175.04 3fds s VAL 32 N -1.08 5.00 -0.52 0.00 1.01 -0.09 -1.31 120.40 123.41 3fds s VAL 32 Ca 0.09 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.48 3fds s VAL 32 Cb -0.10 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.83 3fds s VAL 32 CO 0.05 -1.06 1.43 -0.36 0.00 0.00 0.00 175.10 175.15 3fds s PHE 33 N 2.13 2.30 0.00 5.22 0.08 -1.26 -2.66 117.98 123.79 3fds s PHE 33 Ca 0.11 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.69 3fds s PHE 33 Cb -0.24 -4.36 0.00 0.00 -0.57 0.00 0.00 43.02 37.85 3fds s PHE 33 CO 0.03 -1.99 0.00 0.43 -0.10 0.00 0.00 175.22 173.59 3fds n SER 34 N 9.48 0.00 0.00 1.36 7.64 -0.21 -4.95 113.62 126.94 3fds n SER 34 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3fds n SER 34 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3fds n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fds n GLY 35 N 4.13 0.53 0.02 0.23 0.00 -1.26 -4.83 105.19 104.00 3fds n GLY 35 Ca 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.54 3fds n GLY 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fds n ARG 36 N 0.00 0.10 -3.60 1.61 0.63 -1.26 -4.97 116.66 109.17 3fds n ARG 36 Ca 0.00 0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.81 3fds n ARG 36 Cb 0.00 -1.55 -0.05 0.00 0.45 0.00 0.00 32.46 31.31 3fds n ARG 36 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3fds n PHE 37 N -1.69 -0.81 -1.95 -0.14 3.72 -1.26 -5.06 117.46 110.27 3fds n PHE 37 Ca 0.04 -2.02 -0.42 0.00 -0.05 0.00 0.00 57.45 55.00 3fds n PHE 37 Cb 0.37 0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 39.18 3fds n PHE 37 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3fds s GLU 38 N -2.89 4.22 -2.09 -1.08 2.56 -1.26 -2.53 118.70 115.63 3fds s GLU 38 Ca 0.28 2.36 0.00 0.00 0.00 0.00 0.00 54.97 57.61 3fds s GLU 38 Cb 0.01 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.00 3fds s GLU 38 CO 0.20 -0.56 0.00 -0.25 -0.56 0.00 0.00 175.26 174.09 3fds n ASP 39 N 3.38 -5.32 -4.75 -1.70 8.00 -1.26 -4.95 116.55 109.94 3fds n ASP 39 Ca 0.11 0.45 -0.41 0.00 0.71 0.00 0.00 54.79 55.65 3fds n ASP 39 Cb 0.39 -4.69 -0.02 0.00 -0.02 0.00 0.00 41.12 36.78 3fds n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fds s SER 40 N -2.64 6.51 0.00 -2.24 0.01 -1.05 -4.04 113.70 110.25 3fds s SER 40 Ca 0.00 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.08 3fds s SER 40 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3fds s SER 40 CO 0.00 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.46 3fds n GLY 41 N 1.96 0.92 3.14 3.44 0.00 -1.26 -1.04 105.19 112.35 3fds n GLY 41 Ca 0.06 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 3fds n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fds s ALA 42 N -1.10 0.99 0.22 4.61 0.00 -1.09 -1.54 121.76 123.85 3fds s ALA 42 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 3fds s ALA 42 Cb 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 3fds s ALA 42 CO 0.00 0.07 1.53 0.08 0.00 0.00 0.00 175.76 177.44 3fds s VAL 43 N -1.57 2.53 -0.14 0.00 1.01 0.52 -0.91 120.40 121.84 3fds s VAL 43 Ca -0.03 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 3fds s VAL 43 Cb -0.08 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3fds s VAL 43 CO 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 175.10 175.16 3fds h ALA 44 N 5.87 0.04 -2.50 5.51 0.00 -0.60 0.36 119.26 127.93 3fds h ALA 44 Ca -0.44 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 3fds h ALA 44 Cb 1.21 0.35 -0.22 0.00 0.00 0.00 0.00 17.79 19.13 3fds h ALA 44 CO 0.85 0.35 -0.15 -0.08 0.00 0.00 0.00 179.25 180.21 3fds s THR 45 N -2.05 0.02 0.04 0.00 -1.32 -0.52 -4.36 115.64 107.44 3fds s THR 45 Ca -0.13 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.30 3fds s THR 45 Cb 0.02 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.29 3fds s THR 45 CO 0.24 -0.08 -0.26 0.00 -2.21 0.00 0.00 174.62 172.31 3fds s ALA 46 N -0.42 2.24 0.96 11.08 0.00 -1.26 -0.48 121.76 133.88 3fds s ALA 46 Ca -0.06 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 3fds s ALA 46 Cb -0.03 -0.48 0.17 0.00 0.00 0.00 0.00 23.12 22.77 3fds s ALA 46 CO 0.03 0.53 1.13 0.54 0.00 0.00 0.00 175.76 178.00 3fds s ASN 47 N -1.18 3.07 0.43 0.00 4.22 -0.66 -4.74 114.94 116.08 3fds s ASN 47 Ca 0.12 0.95 0.13 0.00 -2.14 0.00 0.00 52.86 51.92 3fds s ASN 47 Cb -0.10 -1.50 0.93 0.00 1.28 0.00 0.00 41.25 41.86 3fds s ASN 47 CO 0.02 -2.83 1.97 1.88 -2.04 0.00 0.00 177.10 176.10 3fds h TYR 48 N -1.69 0.08 -0.59 1.54 -1.99 -1.94 -0.27 116.97 112.11 3fds h TYR 48 Ca -0.51 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.22 3fds h TYR 48 Cb 1.33 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 40.00 3fds h TYR 48 CO 0.05 0.24 0.39 0.93 -0.00 0.00 0.00 178.16 179.77 3fds h GLU 49 N 0.07 0.78 0.11 4.88 3.07 -1.92 -1.89 114.58 119.68 3fds h GLU 49 Ca 0.01 -0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 58.55 3fds h GLU 49 Cb 0.34 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3fds h GLU 49 CO 0.02 0.52 -1.20 0.00 -1.40 0.00 0.00 179.01 176.96 3fds h ALA 50 N 1.63 0.09 -0.14 3.43 0.00 -1.43 -3.29 119.26 119.55 3fds h ALA 50 Ca 0.22 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3fds h ALA 50 Cb -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fds h ALA 50 CO -0.05 0.78 -0.05 0.00 0.00 0.00 0.00 179.25 179.93 3fds h ARG 51 N 0.22 0.21 -1.02 0.00 3.08 -0.76 -2.17 114.38 113.93 3fds h ARG 51 Ca -0.16 -0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.11 3fds h ARG 51 Cb 1.87 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.79 3fds h ARG 51 CO 0.22 0.27 0.64 -0.22 -1.07 0.00 0.00 179.97 179.82 3fds h LYS 52 N 0.20 0.46 -0.56 0.04 3.64 -1.42 0.51 116.57 119.45 3fds h LYS 52 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fds h LYS 52 Cb 0.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fds h LYS 52 CO 0.01 0.30 0.00 1.19 -2.27 0.00 0.00 179.45 178.68 3fds n PHE 53 N -4.67 0.73 -0.61 1.91 3.72 -0.83 -4.92 117.46 112.79 3fds n PHE 53 Ca 0.25 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3fds n PHE 53 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 3fds n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fds n GLY 54 N 1.53 0.71 3.68 1.37 0.00 0.17 -4.98 105.19 107.67 3fds n GLY 54 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3fds n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fds s VAL 55 N -2.16 4.89 0.28 1.61 1.01 -1.12 -5.00 120.40 119.90 3fds s VAL 55 Ca 0.00 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 3fds s VAL 55 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3fds s VAL 55 CO 0.00 0.06 0.73 -1.59 0.00 0.00 0.00 175.10 174.30 3fds s LYS 56 N 1.88 1.79 0.14 2.72 -2.85 -1.26 -3.32 119.74 118.83 3fds s LYS 56 Ca 0.41 -0.99 -0.34 0.00 -1.00 0.00 0.00 55.97 54.04 3fds s LYS 56 Cb -0.17 0.61 -0.16 0.00 -2.06 0.00 0.00 37.83 36.04 3fds s LYS 56 CO 0.15 -0.82 1.27 0.00 0.10 0.00 0.00 175.35 176.06 3fds n ALA 57 N -0.46 -0.65 0.00 0.59 0.00 -1.26 -2.66 120.51 116.07 3fds n ALA 57 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3fds n ALA 57 Cb 0.59 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3fds n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fds n GLY 58 N 2.32 3.23 3.78 0.00 0.00 0.13 -4.93 105.19 109.71 3fds n GLY 58 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3fds n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fds s ILE 59 N -2.26 3.38 0.53 -0.61 -4.36 -1.09 -4.67 121.20 112.13 3fds s ILE 59 Ca 0.00 1.04 -0.22 0.00 -0.26 0.00 0.00 60.65 61.21 3fds s ILE 59 Cb 0.00 -3.53 -0.05 0.00 1.25 0.00 0.00 42.46 40.13 3fds s ILE 59 CO 0.00 -0.01 1.35 -2.84 0.24 0.00 0.00 174.94 173.67 3fds s PRO 60 N -2.63 3.23 0.27 0.37 0.02 -1.26 -0.36 135.00 134.64 3fds s PRO 60 Ca 0.61 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.83 3fds s PRO 60 Cb -0.25 -2.30 0.51 0.00 0.02 0.00 0.00 34.50 32.48 3fds s PRO 60 CO 0.31 -1.11 1.80 0.82 -0.33 0.00 0.00 177.00 178.49 3fds h ILE 61 N 1.54 0.83 -0.46 2.83 2.04 -1.49 -1.37 117.51 121.43 3fds h ILE 61 Ca -0.51 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3fds h ILE 61 Cb 1.29 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3fds h ILE 61 CO 0.58 0.14 0.31 0.58 0.00 0.00 0.00 178.15 179.76 3fds h VAL 62 N 0.79 1.12 -0.55 1.67 2.07 -1.83 0.76 116.25 120.26 3fds h VAL 62 Ca 0.46 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.71 3fds h VAL 62 Cb 0.54 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3fds h VAL 62 CO -0.30 0.11 0.12 -0.33 0.02 0.00 0.00 177.57 177.20 3fds h GLU 63 N 0.63 0.85 -0.33 1.57 4.39 -1.79 -1.35 114.58 118.55 3fds h GLU 63 Ca 0.17 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3fds h GLU 63 Cb -0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3fds h GLU 63 CO -0.04 0.77 0.12 0.00 -1.16 0.00 0.00 179.01 178.70 3fds h ALA 64 N 1.32 0.44 -0.29 3.43 0.00 -0.75 -2.83 119.26 120.56 3fds h ALA 64 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fds h ALA 64 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fds h ALA 64 CO 0.00 0.06 -0.03 0.87 0.00 0.00 0.00 179.25 180.15 3fds h LYS 65 N 0.39 0.46 -0.20 0.00 1.57 -0.62 0.13 116.57 118.30 3fds h LYS 65 Ca 0.11 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3fds h LYS 65 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3fds h LYS 65 CO -0.01 0.51 0.06 0.87 -0.57 0.00 0.00 179.45 180.31 3fds h LYS 66 N 0.44 0.31 0.51 3.15 1.57 -1.17 -2.32 116.57 119.06 3fds h LYS 66 Ca 0.09 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fds h LYS 66 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3fds h LYS 66 CO 0.01 0.42 -0.24 0.82 -0.57 0.00 0.00 179.45 179.89 3fds h ILE 67 N 0.15 0.43 -2.76 1.86 2.04 -1.24 -3.37 117.51 114.61 3fds h ILE 67 Ca 0.06 -0.33 -0.65 0.00 1.00 0.00 0.00 64.86 64.94 3fds h ILE 67 Cb 0.24 0.56 -0.39 0.00 -0.74 0.00 0.00 36.82 36.49 3fds h ILE 67 CO -0.00 0.05 -0.33 0.18 0.00 0.00 0.00 178.15 178.05 3fds n LEU 68 N -5.30 3.96 0.18 1.44 4.77 0.44 -4.94 117.00 117.55 3fds n LEU 68 Ca -0.11 -5.29 0.09 0.00 -0.03 0.00 0.00 56.01 50.67 3fds n LEU 68 Cb 0.31 -0.85 0.62 0.00 -2.33 0.00 0.00 43.42 41.17 3fds n LEU 68 CO 0.32 1.83 1.10 1.55 -1.33 0.00 0.00 177.39 180.86 3fds h PRO 69 N 5.03 0.07 -0.37 3.23 0.13 -1.59 -2.76 132.00 135.74 3fds h PRO 69 Ca 0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3fds h PRO 69 Cb 0.71 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3fds h PRO 69 CO 0.86 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 3fds n ASN 70 N -4.51 3.37 -4.66 1.44 3.02 -1.26 -4.96 115.26 107.70 3fds n ASN 70 Ca -0.00 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.28 3fds n ASN 70 Cb 0.17 -0.23 0.17 0.00 -0.61 0.00 0.00 39.78 39.27 3fds n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fds s ALA 71 N -1.43 1.19 -0.34 5.41 0.00 -1.04 -4.98 121.76 120.56 3fds s ALA 71 Ca 0.36 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 3fds s ALA 71 Cb 0.22 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3fds s ALA 71 CO 0.30 -2.74 0.67 0.08 0.00 0.00 0.00 175.76 174.07 3fds s VAL 72 N -2.73 4.87 -0.21 0.00 1.01 -0.68 -4.98 120.40 117.69 3fds s VAL 72 Ca 0.65 0.74 -0.09 0.00 0.00 0.00 0.00 61.98 63.28 3fds s VAL 72 Cb -0.21 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3fds s VAL 72 CO 0.59 -0.29 0.10 -0.31 0.00 0.00 0.00 175.10 175.19 3fds s TYR 73 N 2.76 3.29 0.02 5.22 2.02 -1.26 -0.03 117.35 129.38 3fds s TYR 73 Ca 0.26 0.14 0.06 0.00 -0.37 0.00 0.00 57.07 57.16 3fds s TYR 73 Cb -0.14 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.24 3fds s TYR 73 CO 0.14 0.13 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.57 3fds s LEU 74 N 0.64 2.10 0.64 -1.29 1.43 0.73 -4.96 118.68 117.97 3fds s LEU 74 Ca 0.06 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3fds s LEU 74 Cb -0.13 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3fds s LEU 74 CO 0.01 0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 3fds s PRO 75 N -0.79 2.96 0.00 1.29 0.04 -1.26 -0.47 135.00 136.76 3fds s PRO 75 Ca 0.06 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 3fds s PRO 75 Cb -0.07 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 3fds s PRO 75 CO 0.01 -1.11 1.64 1.41 0.04 0.00 0.00 177.00 178.98 3fds s MET 76 N -4.18 4.20 -0.74 4.56 1.75 -0.42 -4.73 119.30 119.74 3fds s MET 76 Ca 0.65 2.23 0.02 0.00 -1.25 0.00 0.00 55.69 57.34 3fds s MET 76 Cb -0.18 -3.80 0.18 0.00 2.84 0.00 0.00 34.83 33.86 3fds s MET 76 CO 0.41 -0.78 0.55 -0.98 -0.65 0.00 0.00 175.02 173.58 3fds s ARG 77 N 3.35 2.69 0.30 4.11 1.70 -1.26 -4.94 118.95 124.90 3fds s ARG 77 Ca 0.73 -3.16 -0.01 0.00 -0.47 0.00 0.00 55.73 52.82 3fds s ARG 77 Cb -0.36 -3.62 0.47 0.00 -0.57 0.00 0.00 34.95 30.87 3fds s ARG 77 CO 0.31 -1.25 1.95 -0.22 -1.08 0.00 0.00 175.30 175.01 3fds h LYS 78 N 5.90 1.00 -0.52 3.89 1.63 -1.99 -1.89 116.57 124.57 3fds h LYS 78 Ca 0.11 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3fds h LYS 78 Cb 0.81 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.18 3fds h LYS 78 CO 0.76 0.69 0.25 0.93 -3.45 0.00 0.00 179.45 178.63 3fds h GLU 79 N 1.02 0.47 -0.20 1.90 3.07 -1.98 0.18 114.58 119.04 3fds h GLU 79 Ca 0.27 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 3fds h GLU 79 Cb -0.05 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 3fds h GLU 79 CO -0.05 0.31 0.02 0.28 -1.40 0.00 0.00 179.01 178.17 3fds h VAL 80 N 0.48 1.24 -0.39 3.13 2.07 -1.79 -1.61 116.25 119.39 3fds h VAL 80 Ca 0.24 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3fds h VAL 80 Cb 0.17 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3fds h VAL 80 CO -0.18 0.24 0.07 1.88 0.02 0.00 0.00 177.57 179.60 3fds h TYR 81 N 0.12 0.60 -0.24 1.57 0.05 -1.06 -1.78 116.97 116.22 3fds h TYR 81 Ca 0.06 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 3fds h TYR 81 Cb 0.34 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3fds h TYR 81 CO 0.03 0.54 -0.36 0.37 -1.05 0.00 0.00 178.16 177.68 3fds h GLN 82 N 0.57 0.68 -0.47 4.88 5.75 -0.54 -0.14 115.11 125.84 3fds h GLN 82 Ca 0.13 -0.40 -0.03 0.00 -0.15 0.00 0.00 58.65 58.19 3fds h GLN 82 Cb 0.26 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3fds h GLN 82 CO 0.00 1.02 0.16 1.96 -2.65 0.00 0.00 178.83 179.31 3fds h GLN 83 N 0.39 0.72 -0.18 1.69 4.20 -1.05 -0.29 115.11 120.60 3fds h GLN 83 Ca 0.02 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3fds h GLN 83 Cb 0.95 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3fds h GLN 83 CO 0.08 0.68 0.10 0.28 -0.67 0.00 0.00 178.83 179.30 3fds h VAL 84 N 0.61 1.08 -0.32 -0.54 2.07 -1.25 -2.24 116.25 115.67 3fds h VAL 84 Ca 0.15 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3fds h VAL 84 Cb 0.25 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3fds h VAL 84 CO -0.01 0.08 0.20 -1.28 0.02 0.00 0.00 177.57 176.58 3fds h SER 85 N 0.20 0.38 -0.98 0.57 0.87 -0.87 -2.09 113.55 111.64 3fds h SER 85 Ca 0.06 -0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.70 3fds h SER 85 Cb 0.03 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 61.81 3fds h SER 85 CO -0.01 0.31 0.61 0.28 -0.53 0.00 0.00 176.83 177.48 3fds h SER 86 N 0.42 0.90 -0.67 6.23 0.02 -0.99 0.37 113.55 119.82 3fds h SER 86 Ca 0.12 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3fds h SER 86 Cb -0.01 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3fds h SER 86 CO -0.02 0.49 0.11 0.03 -1.14 0.00 0.00 176.83 176.29 3fds h ARG 87 N 0.98 1.11 -0.20 3.45 3.08 -0.95 -1.69 114.38 120.15 3fds h ARG 87 Ca 0.48 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3fds h ARG 87 Cb 0.45 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3fds h ARG 87 CO -0.26 1.01 -0.35 0.82 -1.07 0.00 0.00 179.97 180.13 3fds h ILE 88 N 1.04 1.33 -0.91 2.04 2.04 -0.68 -1.51 117.51 120.85 3fds h ILE 88 Ca 0.20 -1.57 0.10 0.00 1.00 0.00 0.00 64.86 64.60 3fds h ILE 88 Cb 0.44 1.85 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 3fds h ILE 88 CO 0.01 0.48 0.55 0.24 0.00 0.00 0.00 178.15 179.44 3fds h MET 89 N 0.26 0.88 -0.31 2.37 2.86 -0.90 -0.07 114.93 120.02 3fds h MET 89 Ca 0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3fds h MET 89 Cb 0.94 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3fds h MET 89 CO 0.08 0.58 0.18 -0.91 1.06 0.00 0.00 176.91 177.90 3fds h ASN 90 N 0.90 0.38 -0.77 1.22 2.35 -1.03 -0.81 115.58 117.82 3fds h ASN 90 Ca 0.44 -0.06 0.11 0.00 -0.55 0.00 0.00 56.30 56.24 3fds h ASN 90 Cb 0.41 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.60 3fds h ASN 90 CO -0.25 0.33 0.38 -0.07 -1.65 0.00 0.00 177.43 176.17 3fds h LEU 91 N 0.39 0.48 -1.09 1.61 3.38 -0.65 -2.81 115.31 116.61 3fds h LEU 91 Ca 0.11 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3fds h LEU 91 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3fds h LEU 91 CO -0.02 0.25 -0.26 -0.07 0.09 0.00 0.00 178.44 178.42 3fds h LEU 92 N 0.61 0.31 -2.12 1.67 3.38 -0.52 -2.71 115.31 115.93 3fds h LEU 92 Ca 0.39 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3fds h LEU 92 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fds h LEU 92 CO -0.31 0.58 -0.07 0.03 0.09 0.00 0.00 178.44 178.76 3fds h ARG 93 N 0.28 0.00 0.00 1.13 3.08 -0.89 0.33 114.38 118.31 3fds h ARG 93 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3fds h ARG 93 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3fds h ARG 93 CO 0.04 0.07 0.00 0.93 -1.07 0.00 0.00 179.97 179.95 3fds h GLU 94 N 0.00 0.00 0.00 0.04 5.08 -1.45 -3.03 114.58 115.22 3fds h GLU 94 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3fds h GLU 94 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3fds h GLU 94 CO 0.01 0.00 -1.58 1.88 -1.00 0.00 0.00 179.01 178.32 3fds h TYR 95 N 0.00 0.00 -1.65 4.33 0.05 -1.02 -3.48 116.97 115.19 3fds h TYR 95 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3fds h TYR 95 Cb 0.63 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.12 3fds h TYR 95 CO 0.00 0.83 0.39 0.45 -1.05 0.00 0.00 178.16 178.79 3fds s SER 96 N -5.98 -0.51 0.00 3.88 0.15 -1.00 -5.01 113.70 105.23 3fds s SER 96 Ca -0.04 0.95 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 3fds s SER 96 Cb 0.08 1.00 -0.27 0.00 -1.71 0.00 0.00 66.02 65.12 3fds s SER 96 CO 0.82 -0.16 0.84 -0.33 1.20 0.00 0.00 173.24 175.61 3fds h GLU 97 N 4.60 0.23 -0.22 5.44 4.39 -1.87 -3.38 114.58 123.77 3fds h GLU 97 Ca -0.28 -0.40 -0.08 0.00 0.34 0.00 0.00 59.36 58.94 3fds h GLU 97 Cb 1.18 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 3fds h GLU 97 CO 0.11 1.09 -0.08 1.17 -1.16 0.00 0.00 179.01 180.14 3fds n LYS 98 N -3.43 -0.28 -3.85 2.33 3.00 -1.26 -4.97 118.16 109.70 3fds n LYS 98 Ca -0.16 0.60 -0.15 0.00 -0.00 0.00 0.00 58.31 58.60 3fds n LYS 98 Cb 1.04 -4.28 -0.16 0.00 0.00 0.00 0.00 35.03 31.64 3fds n LYS 98 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3fds s ILE 99 N -2.15 0.04 -0.28 3.15 2.07 -1.26 -1.31 121.20 121.46 3fds s ILE 99 Ca 0.00 0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.30 3fds s ILE 99 Cb 0.00 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.47 3fds s ILE 99 CO 0.00 0.09 0.05 -0.70 -1.91 0.00 0.00 174.94 172.47 3fds s GLU 100 N 0.80 3.07 -0.52 3.50 2.12 0.43 -4.24 118.70 123.87 3fds s GLU 100 Ca -0.07 -0.86 -0.21 0.00 0.36 0.00 0.00 54.97 54.19 3fds s GLU 100 Cb -0.10 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.05 3fds s GLU 100 CO -0.02 -0.42 0.76 0.42 -0.54 0.00 0.00 175.26 175.46 3fds s ILE 101 N 1.47 4.67 -0.07 -3.70 1.01 -1.26 -0.15 121.20 123.17 3fds s ILE 101 Ca 0.02 -0.14 0.14 0.00 0.00 0.00 0.00 60.65 60.68 3fds s ILE 101 Cb -0.17 -4.39 -0.19 0.00 0.01 0.00 0.00 42.46 37.72 3fds s ILE 101 CO 0.01 -0.92 0.75 0.00 0.00 0.00 0.00 174.94 174.77 3fds h ALA 102 N 9.12 0.72 -1.98 9.38 0.00 -1.28 -3.49 119.26 131.73 3fds h ALA 102 Ca -0.27 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.44 3fds h ALA 102 Cb 1.09 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3fds h ALA 102 CO 1.01 1.31 0.05 -1.13 0.00 0.00 0.00 179.25 180.49 3fds n SER 103 N -2.99 -0.27 0.28 0.00 3.41 -1.09 -4.96 113.62 108.01 3fds n SER 103 Ca -0.13 -1.17 0.15 0.00 -0.26 0.00 0.00 58.87 57.45 3fds n SER 103 Cb 0.96 0.44 0.84 0.00 -0.26 0.00 0.00 64.21 66.19 3fds n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3fds h ILE 104 N 1.12 0.45 0.00 -1.33 2.10 -2.01 -3.05 117.51 114.80 3fds h ILE 104 Ca -0.04 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 3fds h ILE 104 Cb 0.15 1.22 -0.03 0.00 -1.09 0.00 0.00 36.82 37.08 3fds h ILE 104 CO 0.05 0.07 -0.29 -0.90 -1.08 0.00 0.00 178.15 176.00 3fds n ASP 105 N -3.59 1.57 -3.69 2.19 5.75 -1.26 -4.78 116.55 112.73 3fds n ASP 105 Ca -0.02 -2.88 -0.13 0.00 -0.01 0.00 0.00 54.79 51.75 3fds n ASP 105 Cb 0.18 -0.38 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 3fds n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3fds s GLU 106 N -2.02 0.17 0.00 0.11 2.02 -1.15 -1.26 118.70 116.57 3fds s GLU 106 Ca 0.25 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.88 3fds s GLU 106 Cb 0.24 -0.09 -0.00 0.00 0.10 0.00 0.00 34.13 34.38 3fds s GLU 106 CO -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 175.26 175.03 3fds s ALA 107 N 1.85 0.10 -0.24 5.21 0.00 -0.30 -0.69 121.76 127.68 3fds s ALA 107 Ca -0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 3fds s ALA 107 Cb -0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3fds s ALA 107 CO -0.08 0.00 0.08 0.71 0.00 0.00 0.00 175.76 176.47 3fds s TYR 108 N -0.19 3.11 -0.20 0.00 2.02 0.79 -0.62 117.35 122.26 3fds s TYR 108 Ca -0.01 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3fds s TYR 108 Cb -0.02 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 3fds s TYR 108 CO -0.00 -0.28 0.08 -0.51 -1.57 0.00 0.00 175.55 173.27 3fds s LEU 109 N 1.47 3.84 -0.40 -1.29 1.02 0.87 -0.43 118.68 123.77 3fds s LEU 109 Ca 0.06 0.06 -0.23 0.00 0.02 0.00 0.00 54.13 54.04 3fds s LEU 109 Cb -0.15 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.09 3fds s LEU 109 CO 0.04 0.14 0.79 -0.62 0.02 0.00 0.00 176.35 176.72 3fds s ASP 110 N 0.59 6.50 -0.14 2.29 -1.08 -0.43 -0.31 116.67 124.10 3fds s ASP 110 Ca 0.04 0.20 0.17 0.00 -0.52 0.00 0.00 52.55 52.44 3fds s ASP 110 Cb -0.13 -2.40 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 3fds s ASP 110 CO 0.01 -0.81 1.26 2.30 0.52 0.00 0.00 175.17 178.45 3fds n ILE 111 N 5.94 1.98 -0.04 4.11 -5.35 -0.39 -4.65 119.36 120.95 3fds n ILE 111 Ca 0.03 -2.00 0.16 0.00 -0.27 0.00 0.00 62.75 60.67 3fds n ILE 111 Cb 0.48 -0.18 0.59 0.00 -1.74 0.00 0.00 39.64 38.79 3fds n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3fds h SER 112 N 0.82 0.19 -0.21 7.28 0.02 -1.87 -0.66 113.55 119.11 3fds h SER 112 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fds h SER 112 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3fds h SER 112 CO 0.09 0.11 0.00 -0.90 -1.14 0.00 0.00 176.83 174.99 3fds n ASP 113 N -4.44 2.43 -0.04 3.07 5.75 -1.26 -4.36 116.55 117.70 3fds n ASP 113 Ca 0.10 -1.82 -0.03 0.00 -0.01 0.00 0.00 54.79 53.02 3fds n ASP 113 Cb 0.49 -0.13 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 3fds n ASP 113 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fds n LYS 114 N 0.84 2.15 -4.22 0.11 4.76 -0.28 -5.04 118.16 116.47 3fds n LYS 114 Ca 0.17 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 3fds n LYS 114 Cb 0.46 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.31 3fds n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fds s VAL 115 N -2.30 1.08 -0.01 -0.18 -7.23 -1.03 -5.07 120.40 105.66 3fds s VAL 115 Ca -0.05 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 3fds s VAL 115 Cb 0.03 -1.69 -0.32 0.00 0.56 0.00 0.00 36.38 34.96 3fds s VAL 115 CO 0.39 -0.69 0.82 0.03 -0.31 0.00 0.00 175.10 175.34 3fds h ARG 116 N 3.04 0.44 0.00 4.82 3.08 -1.90 -3.45 114.38 120.41 3fds h ARG 116 Ca -0.37 -0.75 -0.00 0.00 0.07 0.00 0.00 59.98 58.93 3fds h ARG 116 Cb 1.19 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.52 3fds h ARG 116 CO 0.60 1.35 0.28 -0.40 -1.07 0.00 0.00 179.97 180.73 3fds n ASP 117 N -3.63 -1.93 0.19 7.04 5.68 -1.26 -5.06 116.55 117.58 3fds n ASP 117 Ca -0.21 -2.30 0.04 0.00 -0.50 0.00 0.00 54.79 51.83 3fds n ASP 117 Cb 1.08 3.20 0.36 0.00 -1.14 0.00 0.00 41.12 44.63 3fds n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3fds h TYR 118 N 1.86 0.00 -0.41 2.11 0.05 -1.98 -1.87 116.97 116.72 3fds h TYR 118 Ca -0.28 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.40 3fds h TYR 118 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 3fds h TYR 118 CO 0.00 0.39 -0.14 -0.09 -1.05 0.00 0.00 178.16 177.27 3fds h ARG 119 N 0.00 0.82 -0.28 4.88 2.43 -1.99 0.98 114.38 121.22 3fds h ARG 119 Ca -0.00 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.72 3fds h ARG 119 Cb 0.79 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3fds h ARG 119 CO 0.05 0.96 -0.30 1.49 -1.51 0.00 0.00 179.97 180.66 3fds h GLU 120 N 0.64 0.57 -0.59 0.20 4.81 -1.95 -2.26 114.58 115.99 3fds h GLU 120 Ca 0.10 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3fds h GLU 120 Cb 0.68 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3fds h GLU 120 CO 0.05 0.81 0.28 0.00 -0.73 0.00 0.00 179.01 179.41 3fds h ALA 121 N 1.19 0.77 0.08 2.92 0.00 -1.03 -0.84 119.26 122.34 3fds h ALA 121 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fds h ALA 121 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3fds h ALA 121 CO 0.06 0.34 -0.11 -0.92 0.00 0.00 0.00 179.25 178.62 3fds h TYR 122 N 0.81 -0.28 -0.31 0.00 3.20 -0.68 0.40 116.97 120.11 3fds h TYR 122 Ca 0.20 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 3fds h TYR 122 Cb 0.13 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3fds h TYR 122 CO 0.00 -0.17 0.01 -0.91 -1.64 0.00 0.00 178.16 175.46 3fds h ASN 123 N -0.23 0.44 -0.72 -2.11 2.35 -1.18 -1.67 115.58 112.46 3fds h ASN 123 Ca 0.01 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3fds h ASN 123 Cb 0.23 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3fds h ASN 123 CO -0.05 0.50 0.24 0.25 -1.65 0.00 0.00 177.43 176.72 3fds h LEU 124 N 0.46 1.05 -0.97 1.61 5.85 -0.88 -2.38 115.31 120.04 3fds h LEU 124 Ca 0.10 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3fds h LEU 124 Cb 0.28 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3fds h LEU 124 CO 0.01 0.97 0.49 1.23 -0.34 0.00 0.00 178.44 180.80 3fds h GLY 125 N 1.11 1.29 1.11 3.75 0.00 -0.13 -1.41 103.07 108.80 3fds h GLY 125 Ca 0.24 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3fds h GLY 125 CO -0.01 0.55 0.14 1.41 0.00 0.00 0.00 176.54 178.63 3fds h LEU 126 N 1.22 1.04 -0.66 3.11 3.38 -1.05 -1.45 115.31 120.90 3fds h LEU 126 Ca 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fds h LEU 126 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3fds h LEU 126 CO -0.05 1.01 0.36 -0.33 0.09 0.00 0.00 178.44 179.52 3fds h GLU 127 N 1.03 0.92 -0.42 1.13 5.08 -1.16 -0.19 114.58 120.98 3fds h GLU 127 Ca 0.21 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3fds h GLU 127 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3fds h GLU 127 CO 0.01 0.69 0.23 0.82 -1.00 0.00 0.00 179.01 179.76 3fds h ILE 128 N 0.90 1.15 -0.21 3.13 2.04 -1.01 0.11 117.51 123.62 3fds h ILE 128 Ca 0.23 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3fds h ILE 128 Cb 0.04 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3fds h ILE 128 CO -0.04 0.16 0.12 0.11 0.00 0.00 0.00 178.15 178.50 3fds h LYS 129 N 0.55 0.29 -0.21 2.37 1.57 -1.11 -1.07 116.57 118.96 3fds h LYS 129 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3fds h LYS 129 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3fds h LYS 129 CO -0.02 0.27 0.14 -0.91 -0.57 0.00 0.00 179.45 178.36 3fds h ASN 130 N 0.23 0.25 -0.37 0.86 2.35 -0.91 -1.59 115.58 116.41 3fds h ASN 130 Ca 0.07 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3fds h ASN 130 Cb 0.07 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3fds h ASN 130 CO -0.01 0.19 0.01 0.50 -1.65 0.00 0.00 177.43 176.47 3fds h LYS 131 N 0.28 0.11 -0.34 0.81 1.63 -0.54 -0.88 116.57 117.65 3fds h LYS 131 Ca 0.08 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.73 3fds h LYS 131 Cb -0.02 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3fds h LYS 131 CO -0.02 0.07 -0.32 0.82 -3.45 0.00 0.00 179.45 176.55 3fds h ILE 132 N 0.12 1.29 -0.75 2.00 2.04 -1.14 -0.89 117.51 120.18 3fds h ILE 132 Ca 0.18 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.60 3fds h ILE 132 Cb 0.24 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3fds h ILE 132 CO -0.29 0.49 0.44 0.25 0.00 0.00 0.00 178.15 179.05 3fds h LEU 133 N 0.61 0.68 -0.65 1.44 5.85 -1.15 0.12 115.31 122.21 3fds h LEU 133 Ca 0.06 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3fds h LEU 133 Cb 0.91 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3fds h LEU 133 CO 0.08 0.44 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.17 3fds h GLU 134 N 0.81 0.93 0.12 1.25 5.08 -0.75 -0.18 114.58 121.84 3fds h GLU 134 Ca 0.33 -0.34 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 3fds h GLU 134 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fds h GLU 134 CO -0.17 0.99 -1.81 0.87 -1.00 0.00 0.00 179.01 177.89 3fds h LYS 135 N 0.83 0.25 0.00 2.33 1.79 -0.99 -3.40 116.57 117.37 3fds h LYS 135 Ca 0.13 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 3fds h LYS 135 Cb 0.66 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 3fds h LYS 135 CO 0.05 1.11 0.00 0.39 -1.08 0.00 0.00 179.45 179.91 3fds n GLU 136 N -3.43 2.40 -2.26 3.15 -0.58 0.41 -5.00 120.64 115.34 3fds n GLU 136 Ca -0.25 -0.19 -0.20 0.00 -0.42 0.00 0.00 57.16 56.10 3fds n GLU 136 Cb 1.05 -0.64 -0.02 0.00 -0.57 0.00 0.00 31.44 31.26 3fds n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3fds n LYS 137 N -0.40 -1.58 -4.44 3.49 5.02 -0.08 -4.98 118.16 115.18 3fds n LYS 137 Ca 0.00 1.02 -0.34 0.00 -2.02 0.00 0.00 58.31 56.97 3fds n LYS 137 Cb 0.03 -5.60 -0.12 0.00 -0.02 0.00 0.00 35.03 29.31 3fds n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fds s ILE 138 N -2.97 3.77 0.26 -0.18 -1.09 -1.24 -4.92 121.20 114.84 3fds s ILE 138 Ca 0.00 -0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 57.84 3fds s ILE 138 Cb 0.00 -2.65 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 3fds s ILE 138 CO 0.00 0.50 0.73 0.42 -1.23 0.00 0.00 174.94 175.35 3fds s THR 139 N 0.38 4.62 0.17 2.92 -4.23 -1.26 -3.26 115.64 114.97 3fds s THR 139 Ca -0.05 1.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 3fds s THR 139 Cb -0.14 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 3fds s THR 139 CO 0.03 0.04 0.04 0.68 -0.54 0.00 0.00 174.62 174.88 3fds s VAL 140 N -1.71 0.41 -0.12 2.29 -7.23 -1.26 -2.07 120.40 110.70 3fds s VAL 140 Ca 0.48 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 3fds s VAL 140 Cb -0.14 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 3fds s VAL 140 CO 0.19 -0.37 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.65 3fds s THR 141 N -3.84 3.59 -0.17 5.32 2.01 0.34 -3.41 115.64 119.48 3fds s THR 141 Ca 0.27 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3fds s THR 141 Cb 0.07 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3fds s THR 141 CO 0.05 0.53 0.03 -0.69 -0.69 0.00 0.00 174.62 173.85 3fds s VAL 142 N 0.01 4.52 -0.10 3.82 1.01 -0.40 -1.06 120.40 128.20 3fds s VAL 142 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3fds s VAL 142 Cb -0.14 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3fds s VAL 142 CO 0.03 0.48 -0.23 -0.83 0.00 0.00 0.00 175.10 174.55 3fds s GLY 143 N 0.31 1.35 -0.13 4.51 0.00 0.30 -1.09 107.32 112.57 3fds s GLY 143 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3fds s GLY 143 CO 0.01 -0.34 -0.20 -0.42 0.00 0.00 0.00 173.10 172.15 3fds s ILE 144 N 0.30 1.86 0.00 0.90 1.01 0.51 -0.07 121.20 125.71 3fds s ILE 144 Ca -0.17 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3fds s ILE 144 Cb -0.18 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3fds s ILE 144 CO 0.08 0.51 0.00 -0.24 0.00 0.00 0.00 174.94 175.29 3fds n SER 145 N 4.09 0.00 0.03 3.58 2.88 -0.87 -0.34 113.62 123.00 3fds n SER 145 Ca -0.20 -0.26 0.12 0.00 -1.33 0.00 0.00 58.87 57.20 3fds n SER 145 Cb 0.51 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.23 3fds n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3fds n LYS 146 N 0.00 0.16 -3.99 -1.46 2.85 -1.26 -0.84 118.16 113.61 3fds n LYS 146 Ca 0.00 0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.22 3fds n LYS 146 Cb 0.00 -1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 32.72 3fds n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3fds s ASN 147 N -3.67 -0.09 0.28 -5.58 2.20 -1.26 -4.45 114.94 102.37 3fds s ASN 147 Ca 0.09 -0.92 -0.03 0.00 -0.94 0.00 0.00 52.86 51.06 3fds s ASN 147 Cb 0.15 0.60 0.39 0.00 -2.00 0.00 0.00 41.25 40.39 3fds s ASN 147 CO 0.69 -1.16 1.91 0.11 -2.94 0.00 0.00 177.10 175.71 3fds h LYS 148 N 2.24 1.05 -0.27 3.55 1.57 -1.93 -1.87 116.57 120.91 3fds h LYS 148 Ca -0.26 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 3fds h LYS 148 Cb 1.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3fds h LYS 148 CO 0.35 0.77 0.00 0.28 -0.57 0.00 0.00 179.45 180.27 3fds h VAL 149 N 1.06 1.26 -0.00 0.50 2.07 -1.97 -2.09 116.25 117.07 3fds h VAL 149 Ca 0.27 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 3fds h VAL 149 Cb 0.01 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3fds h VAL 149 CO -0.05 0.29 -0.68 -0.26 0.02 0.00 0.00 177.57 176.89 3fds h PHE 150 N 0.26 0.04 -0.87 1.57 0.04 -1.95 -1.82 116.94 114.20 3fds h PHE 150 Ca 0.08 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.90 3fds h PHE 150 Cb 0.42 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.50 3fds h PHE 150 CO 0.04 0.70 0.54 0.00 -0.60 0.00 0.00 178.31 178.98 3fds h ALA 151 N 1.29 1.22 -0.18 2.45 0.00 -1.29 -0.75 119.26 122.00 3fds h ALA 151 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3fds h ALA 151 Cb 1.21 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fds h ALA 151 CO 0.09 0.25 -0.73 -0.22 0.00 0.00 0.00 179.25 178.63 3fds h LYS 152 N 0.95 0.82 -0.82 0.00 3.64 -1.17 -2.09 116.57 117.90 3fds h LYS 152 Ca 0.39 -0.64 0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3fds h LYS 152 Cb 0.24 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 3fds h LYS 152 CO -0.20 1.25 0.53 0.82 -2.27 0.00 0.00 179.45 179.58 3fds h ILE 153 N 0.58 1.13 -0.61 2.00 2.04 -1.19 0.98 117.51 122.43 3fds h ILE 153 Ca -0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fds h ILE 153 Cb 1.36 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3fds h ILE 153 CO 0.15 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.84 3fds h ALA 154 N 1.34 0.79 -0.37 1.87 0.00 -1.01 -0.07 119.26 121.81 3fds h ALA 154 Ca 0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3fds h ALA 154 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fds h ALA 154 CO -0.11 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 3fds h ALA 155 N 1.17 0.52 -0.98 0.00 0.00 -1.02 -2.66 119.26 116.29 3fds h ALA 155 Ca 0.22 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.94 3fds h ALA 155 Cb 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 3fds h ALA 155 CO -0.04 0.47 0.59 -0.44 0.00 0.00 0.00 179.25 179.83 3fds h ASP 156 N 0.58 0.76 1.35 0.00 3.32 -0.33 -1.45 116.42 120.65 3fds h ASP 156 Ca 0.08 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3fds h ASP 156 Cb 0.74 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3fds h ASP 156 CO 0.06 0.28 0.00 0.24 -1.72 0.00 0.00 179.24 178.10 3fds h MET 157 N 0.76 0.00 0.00 3.56 2.86 -0.76 -3.34 114.93 118.02 3fds h MET 157 Ca 0.56 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.20 3fds h MET 157 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3fds h MET 157 CO -0.37 0.00 -0.82 0.00 1.06 0.00 0.00 176.91 176.78 3fds n ALA 158 N -1.93 3.04 -1.59 6.32 0.00 -0.62 -5.04 120.51 120.69 3fds n ALA 158 Ca 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 3fds n ALA 158 Cb 0.39 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.49 3fds n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3fds s LYS 159 N -2.23 3.06 0.46 0.00 -2.85 -0.74 -3.57 119.74 113.86 3fds s LYS 159 Ca 0.01 1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 56.17 3fds s LYS 159 Cb 0.08 -2.00 -0.02 0.00 -2.06 0.00 0.00 37.83 33.83 3fds s LYS 159 CO 0.43 -1.02 0.73 -1.25 0.10 0.00 0.00 175.35 174.34 3fds s PRO 160 N -4.26 3.34 -1.35 1.78 0.04 -1.26 -4.91 135.00 128.37 3fds s PRO 160 Ca 0.64 -0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.54 3fds s PRO 160 Cb -0.17 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3fds s PRO 160 CO 0.42 -0.22 0.89 -1.71 0.04 0.00 0.00 177.00 176.42 3fds n ASN 161 N -2.17 -2.89 -4.69 6.66 5.15 -1.24 -4.96 115.26 111.12 3fds n ASN 161 Ca 0.00 -0.74 -0.32 0.00 -0.60 0.00 0.00 54.58 52.93 3fds n ASN 161 Cb 0.56 -4.34 -0.08 0.00 -0.53 0.00 0.00 39.78 35.39 3fds n ASN 161 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3fds s GLY 162 N -3.97 2.91 -0.23 8.20 0.00 -1.22 -4.97 107.32 108.03 3fds s GLY 162 Ca 0.24 -0.76 -0.13 0.00 0.00 0.00 0.00 44.72 44.07 3fds s GLY 162 CO 0.79 -2.15 0.57 -1.50 0.00 0.00 0.00 173.10 170.80 3fds s ILE 163 N -2.88 -0.01 -0.10 0.90 2.07 -1.26 -1.27 121.20 118.65 3fds s ILE 163 Ca 0.12 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.33 3fds s ILE 163 Cb 0.03 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.83 3fds s ILE 163 CO 0.06 0.02 0.24 -0.75 -1.91 0.00 0.00 174.94 172.60 3fds s LYS 164 N 1.48 0.24 -0.15 3.50 2.20 -0.25 -4.97 119.74 121.79 3fds s LYS 164 Ca -0.09 0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 55.85 3fds s LYS 164 Cb -0.06 0.00 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 3fds s LYS 164 CO -0.16 -0.10 0.16 0.08 -0.36 0.00 0.00 175.35 174.97 3fds s VAL 165 N 0.71 5.42 -0.35 4.02 1.01 -1.26 -0.36 120.40 129.59 3fds s VAL 165 Ca -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3fds s VAL 165 Cb -0.06 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.92 3fds s VAL 165 CO -0.04 0.51 0.11 -0.63 0.00 0.00 0.00 175.10 175.05 3fds s ILE 166 N -0.26 3.34 0.55 2.22 1.01 0.54 -4.96 121.20 123.65 3fds s ILE 166 Ca 0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.19 3fds s ILE 166 Cb -0.12 -3.05 0.11 0.00 0.01 0.00 0.00 42.46 39.41 3fds s ILE 166 CO 0.02 -0.35 0.76 -0.90 0.00 0.00 0.00 174.94 174.46 3fds n ASP 167 N 4.67 0.81 -0.32 3.58 5.68 -1.26 -4.39 116.55 125.32 3fds n ASP 167 Ca -0.09 -1.73 -0.01 0.00 -0.50 0.00 0.00 54.79 52.46 3fds n ASP 167 Cb 0.43 -0.51 0.12 0.00 -1.14 0.00 0.00 41.12 40.02 3fds n ASP 167 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3fds h ASP 168 N -0.57 0.93 -0.45 -1.12 5.19 -1.99 0.17 116.42 118.57 3fds h ASP 168 Ca -0.25 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3fds h ASP 168 Cb 0.87 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 3fds h ASP 168 CO 0.25 0.63 0.18 -0.08 -3.12 0.00 0.00 179.24 177.10 3fds h GLU 169 N 1.08 0.67 -0.23 3.56 4.81 -2.00 -2.52 114.58 119.94 3fds h GLU 169 Ca 0.36 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 3fds h GLU 169 Cb 0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3fds h GLU 169 CO -0.13 0.61 -0.40 1.49 -0.73 0.00 0.00 179.01 179.85 3fds h GLU 170 N 0.58 0.55 -0.44 1.92 4.81 -1.74 -2.02 114.58 118.25 3fds h GLU 170 Ca 0.15 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3fds h GLU 170 Cb 0.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3fds h GLU 170 CO -0.01 0.86 0.16 0.28 -0.73 0.00 0.00 179.01 179.57 3fds h VAL 171 N 0.45 0.88 -0.79 0.32 2.07 -0.57 0.12 116.25 118.72 3fds h VAL 171 Ca 0.04 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3fds h VAL 171 Cb 0.90 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3fds h VAL 171 CO 0.08 0.06 0.41 0.11 0.02 0.00 0.00 177.57 178.25 3fds h LYS 172 N 0.33 1.12 -0.23 1.57 1.57 -1.18 -1.88 116.57 117.88 3fds h LYS 172 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3fds h LYS 172 Cb 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3fds h LYS 172 CO -0.20 0.85 0.10 -0.09 -0.57 0.00 0.00 179.45 179.54 3fds h ARG 173 N 1.11 0.34 -0.15 3.15 2.43 -0.93 -3.27 114.38 117.04 3fds h ARG 173 Ca 0.28 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3fds h ARG 173 Cb 0.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3fds h ARG 173 CO -0.04 0.37 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.37 3fds h LEU 174 N 0.23 0.33 -0.94 3.80 3.38 -0.41 0.40 115.31 122.11 3fds h LEU 174 Ca 0.08 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.07 3fds h LEU 174 Cb 0.16 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 3fds h LEU 174 CO -0.01 0.66 0.54 0.40 0.09 0.00 0.00 178.44 180.13 3fds h ILE 175 N 0.27 0.79 0.07 1.22 2.04 -1.43 0.14 117.51 120.61 3fds h ILE 175 Ca 0.03 -0.27 -0.25 0.00 1.00 0.00 0.00 64.86 65.37 3fds h ILE 175 Cb 0.75 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3fds h ILE 175 CO 0.06 0.14 -1.10 0.03 0.00 0.00 0.00 178.15 177.28 3fds h ARG 176 N 0.78 0.39 0.00 2.37 3.08 -1.41 0.35 114.38 119.94 3fds h ARG 176 Ca 0.50 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fds h ARG 176 Cb 0.66 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3fds h ARG 176 CO -0.33 1.19 -1.06 0.39 -1.07 0.00 0.00 179.97 179.09 3fds n GLU 177 N -3.68 1.73 -3.15 0.04 -0.58 0.06 -4.79 120.64 110.28 3fds n GLU 177 Ca -0.08 -0.06 -0.39 0.00 -0.42 0.00 0.00 57.16 56.21 3fds n GLU 177 Cb 0.93 -1.17 -0.05 0.00 -0.57 0.00 0.00 31.44 30.57 3fds n GLU 177 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3fds s LEU 178 N -3.20 4.24 0.15 -4.62 2.96 0.43 -5.01 118.68 113.63 3fds s LEU 178 Ca -0.00 0.95 -0.34 0.00 -0.22 0.00 0.00 54.13 54.52 3fds s LEU 178 Cb 0.08 -2.90 -0.16 0.00 0.50 0.00 0.00 46.19 43.71 3fds s LEU 178 CO 0.49 -0.14 1.21 0.47 -1.32 0.00 0.00 176.35 177.05 3fds n ASP 179 N 4.23 1.41 0.26 3.68 8.00 -1.26 -3.69 116.55 129.18 3fds n ASP 179 Ca -0.03 1.14 0.14 0.00 0.71 0.00 0.00 54.79 56.75 3fds n ASP 179 Cb 0.51 -1.21 0.70 0.00 -0.02 0.00 0.00 41.12 41.10 3fds n ASP 179 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3fds h ILE 180 N 2.83 0.39 0.00 0.53 2.10 -1.82 -1.97 117.51 119.57 3fds h ILE 180 Ca -0.44 -0.63 -0.01 0.00 1.08 0.00 0.00 64.86 64.85 3fds h ILE 180 Cb 1.34 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 38.53 3fds h ILE 180 CO 0.72 0.11 -0.05 0.00 -1.08 0.00 0.00 178.15 177.85 3fds h ALA 181 N 1.89 1.01 -0.01 0.18 0.00 -1.87 -2.73 119.26 117.73 3fds h ALA 181 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fds h ALA 181 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fds h ALA 181 CO 0.01 0.06 -0.10 -0.25 0.00 0.00 0.00 179.25 178.97 3fds n ASP 182 N -3.17 0.71 -4.65 0.00 8.00 -0.74 -4.82 116.55 111.88 3fds n ASP 182 Ca 0.00 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.22 3fds n ASP 182 Cb 0.32 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 3fds n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fds s VAL 183 N -2.33 4.34 0.21 2.53 1.01 -1.03 -4.94 120.40 120.18 3fds s VAL 183 Ca 0.32 1.58 -0.32 0.00 0.00 0.00 0.00 61.98 63.56 3fds s VAL 183 Cb 0.20 -4.14 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 3fds s VAL 183 CO 0.44 -0.27 1.27 -2.65 0.00 0.00 0.00 175.10 173.89 3fds n PRO 184 N 6.78 1.57 0.00 2.72 -0.02 -1.26 -1.97 135.00 142.82 3fds n PRO 184 Ca 0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3fds n PRO 184 Cb 0.46 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3fds n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fds n GLY 185 N 2.05 2.99 3.42 -1.23 0.00 -1.26 -5.01 105.19 106.14 3fds n GLY 185 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3fds n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 186 N -2.64 4.57 1.00 -0.61 1.09 -0.83 -5.05 121.20 118.73 3fds s ILE 186 Ca 0.00 -0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 58.69 3fds s ILE 186 Cb 0.00 -4.61 0.19 0.00 -1.06 0.00 0.00 42.46 36.98 3fds s ILE 186 CO 0.00 -1.32 1.11 -0.83 -0.10 0.00 0.00 174.94 173.80 3fds s GLY 187 N 3.64 1.57 0.18 6.18 0.00 -1.26 -4.76 107.32 112.87 3fds s GLY 187 Ca 0.18 -0.46 0.10 0.00 0.00 0.00 0.00 44.72 44.54 3fds s GLY 187 CO 0.07 0.16 1.25 0.70 0.00 0.00 0.00 173.10 175.28 3fds n ASN 188 N -4.14 0.26 0.03 1.64 5.03 -1.17 -2.11 115.26 114.81 3fds n ASN 188 Ca 0.06 0.56 -0.22 0.00 0.87 0.00 0.00 54.58 55.85 3fds n ASN 188 Cb 0.58 -0.57 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 3fds n ASN 188 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3fds h ILE 189 N 0.00 1.12 -0.01 2.41 2.10 -1.84 -1.90 117.51 119.39 3fds h ILE 189 Ca 0.00 -2.46 -0.02 0.00 1.08 0.00 0.00 64.86 63.46 3fds h ILE 189 Cb 0.22 2.83 0.00 0.00 -1.09 0.00 0.00 36.82 38.78 3fds h ILE 189 CO 0.00 0.74 -0.08 0.74 -1.08 0.00 0.00 178.15 178.47 3fds h THR 190 N -0.23 1.52 -0.08 2.19 2.02 -1.85 -3.35 112.91 113.14 3fds h THR 190 Ca -0.28 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.17 3fds h THR 190 Cb 1.82 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 70.80 3fds h THR 190 CO 0.11 0.44 -0.30 0.00 0.37 0.00 0.00 175.52 176.14 3fds h ALA 191 N 0.33 1.35 0.00 6.16 0.00 -1.55 -2.79 119.26 122.76 3fds h ALA 191 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fds h ALA 191 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fds h ALA 191 CO 0.02 0.46 0.00 -1.91 0.00 0.00 0.00 179.25 177.82 3fds n GLU 192 N -4.14 0.21 -0.03 0.00 4.07 -0.71 -1.50 120.64 118.54 3fds n GLU 192 Ca -0.01 0.24 -0.16 0.00 -0.06 0.00 0.00 57.16 57.17 3fds n GLU 192 Cb 0.38 -1.78 -0.13 0.00 -0.06 0.00 0.00 31.44 29.85 3fds n GLU 192 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3fds h LYS 193 N 0.00 0.12 0.00 5.31 1.57 -1.62 -3.35 116.57 118.59 3fds h LYS 193 Ca 0.00 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3fds h LYS 193 Cb 0.61 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3fds h LYS 193 CO 0.00 1.04 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.71 3fds h LEU 194 N -0.70 0.00 -0.97 2.94 3.38 -1.46 0.18 115.31 118.67 3fds h LEU 194 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3fds h LEU 194 Cb 1.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 3fds h LEU 194 CO 0.05 0.14 0.63 0.50 0.09 0.00 0.00 178.44 179.85 3fds h LYS 195 N 0.00 1.17 -0.00 1.13 3.64 -1.31 0.50 116.57 121.71 3fds h LYS 195 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3fds h LYS 195 Cb 0.32 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3fds h LYS 195 CO 0.02 0.78 -0.50 1.63 -2.27 0.00 0.00 179.45 179.11 3fds n LYS 196 N -4.48 0.10 0.00 1.90 5.02 0.27 -3.59 118.16 117.38 3fds n LYS 196 Ca 0.13 -0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.50 3fds n LYS 196 Cb 0.11 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.17 3fds n LYS 196 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fds n LEU 197 N -1.40 1.29 -0.05 -0.35 4.77 0.37 -4.92 117.00 116.71 3fds n LEU 197 Ca 0.06 -0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 3fds n LEU 197 Cb 0.34 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3fds n LEU 197 CO 0.34 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 177.23 3fds n GLY 198 N 1.18 0.42 3.06 -0.72 0.00 -0.82 -4.99 105.19 103.32 3fds n GLY 198 Ca 0.18 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3fds n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 199 N -2.02 3.32 -0.94 -0.61 1.01 0.17 -4.89 121.20 117.23 3fds s ILE 199 Ca 0.00 -2.96 0.18 0.00 0.00 0.00 0.00 60.65 57.87 3fds s ILE 199 Cb 0.00 -3.21 -0.18 0.00 0.01 0.00 0.00 42.46 39.08 3fds s ILE 199 CO 0.00 -0.83 0.79 0.59 0.00 0.00 0.00 174.94 175.49 3fds n ASN 200 N 3.50 0.95 -4.14 3.58 3.02 -1.26 -3.52 115.26 117.39 3fds n ASN 200 Ca 0.06 -0.97 -0.13 0.00 -0.03 0.00 0.00 54.58 53.51 3fds n ASN 200 Cb 0.37 0.95 -0.11 0.00 -0.61 0.00 0.00 39.78 40.38 3fds n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fds s LYS 201 N -2.67 0.74 0.24 3.52 -0.14 -1.26 -2.58 119.74 117.59 3fds s LYS 201 Ca 0.08 -1.09 -0.05 0.00 -1.36 0.00 0.00 55.97 53.54 3fds s LYS 201 Cb 0.14 -0.35 0.40 0.00 -1.68 0.00 0.00 37.83 36.35 3fds s LYS 201 CO 0.72 0.04 1.76 -0.07 -0.76 0.00 0.00 175.35 177.04 3fds h LEU 202 N 3.65 0.39 -1.30 3.17 3.38 -1.60 -1.97 115.31 121.03 3fds h LEU 202 Ca -0.36 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3fds h LEU 202 Cb 1.18 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3fds h LEU 202 CO 0.53 0.19 0.49 1.62 0.09 0.00 0.00 178.44 181.37 3fds h VAL 203 N 0.54 1.12 0.00 1.22 3.04 -1.24 -2.62 116.25 118.32 3fds h VAL 203 Ca 0.39 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 3fds h VAL 203 Cb 0.50 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 3fds h VAL 203 CO -0.33 0.17 0.13 0.47 -1.01 0.00 0.00 177.57 177.00 3fds n ASP 204 N -4.45 0.33 -0.08 3.17 8.00 -0.74 -0.33 116.55 122.45 3fds n ASP 204 Ca 0.09 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.32 3fds n ASP 204 Cb 0.11 -0.60 0.50 0.00 -0.02 0.00 0.00 41.12 41.11 3fds n ASP 204 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fds n THR 205 N -1.95 0.00 0.91 -3.53 -2.24 -0.99 -3.44 114.28 103.04 3fds n THR 205 Ca -0.01 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 3fds n THR 205 Cb 0.15 -0.05 0.33 0.00 -2.10 0.00 0.00 70.33 68.66 3fds n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3fds n LEU 206 N -1.17 0.43 -0.76 3.22 4.77 0.55 -3.86 117.00 120.18 3fds n LEU 206 Ca 0.11 0.18 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3fds n LEU 206 Cb 0.31 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3fds n LEU 206 CO 0.27 0.05 0.55 -1.54 -1.33 0.00 0.00 177.39 175.40 3fds n SER 207 N -1.63 2.60 -4.81 -1.43 3.41 -1.22 -4.93 113.62 105.61 3fds n SER 207 Ca 0.05 -1.78 -0.36 0.00 -0.26 0.00 0.00 58.87 56.53 3fds n SER 207 Cb 0.36 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 3fds n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3fds s ILE 208 N -1.46 5.07 0.26 -1.33 2.07 -1.25 -5.08 121.20 119.48 3fds s ILE 208 Ca 0.23 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.17 3fds s ILE 208 Cb 0.16 -3.20 -0.14 0.00 0.13 0.00 0.00 42.46 39.40 3fds s ILE 208 CO 0.23 0.58 1.20 1.21 -1.91 0.00 0.00 174.94 176.25 3fds n GLU 209 N 1.92 1.63 -0.22 3.50 2.13 -1.26 -4.86 120.64 123.48 3fds n GLU 209 Ca -0.19 0.58 -0.01 0.00 0.66 0.00 0.00 57.16 58.20 3fds n GLU 209 Cb 0.54 -2.09 0.10 0.00 0.27 0.00 0.00 31.44 30.27 3fds n GLU 209 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3fds h PHE 210 N 3.00 0.63 -0.58 4.31 3.57 -1.97 -1.49 116.94 124.40 3fds h PHE 210 Ca -0.43 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 3fds h PHE 210 Cb 1.31 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3fds h PHE 210 CO 0.52 0.28 0.16 -0.44 -2.23 0.00 0.00 178.31 176.60 3fds h ASP 211 N 0.63 0.82 0.55 0.41 5.19 -1.92 -2.54 116.42 119.56 3fds h ASP 211 Ca 0.30 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 3fds h ASP 211 Cb 0.23 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 3fds h ASP 211 CO -0.21 0.78 -0.05 0.50 -3.12 0.00 0.00 179.24 177.15 3fds h LYS 212 N 0.85 0.00 -0.00 3.56 1.63 -1.76 -2.97 116.57 117.88 3fds h LYS 212 Ca 0.19 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.80 3fds h LYS 212 Cb 0.27 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3fds h LYS 212 CO -0.01 0.05 -0.83 1.25 -3.45 0.00 0.00 179.45 176.46 3fds h LEU 213 N 0.00 0.20 -6.81 5.20 5.85 -0.85 -3.31 115.31 115.59 3fds h LEU 213 Ca -0.00 -0.15 -0.74 0.00 0.84 0.00 0.00 57.88 57.82 3fds h LEU 213 Cb 0.34 -0.06 -0.32 0.00 0.37 0.00 0.00 40.66 40.98 3fds h LEU 213 CO 0.01 0.94 0.32 2.29 -0.34 0.00 0.00 178.44 181.65 3fds n LYS 214 N -3.67 3.73 0.00 1.25 2.85 -1.12 -3.45 118.16 117.75 3fds n LYS 214 Ca -0.03 -4.58 0.00 0.00 -1.05 0.00 0.00 58.31 52.66 3fds n LYS 214 Cb 0.78 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 3fds n LYS 214 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fds n GLY 215 N 1.38 0.76 0.00 2.58 0.00 -1.23 -4.78 105.19 103.89 3fds n GLY 215 Ca 0.26 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3fds n GLY 215 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fds n MET 216 N 0.00 0.09 0.00 1.61 2.81 -1.22 -4.69 117.12 115.72 3fds n MET 216 Ca 0.00 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 3fds n MET 216 Cb 0.00 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 3fds n MET 216 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 3fds n ILE 217 N -0.02 0.00 -0.36 2.02 0.13 -1.26 -4.82 119.36 115.05 3fds n ILE 217 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3fds n ILE 217 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.18 3fds n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3fds n GLY 218 N 0.00 -2.99 0.32 4.50 0.00 -1.25 -4.57 105.19 101.20 3fds n GLY 218 Ca 0.00 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3fds n GLY 218 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fds h GLU 219 N 0.00 0.08 -0.20 1.61 -0.00 -1.90 -1.52 114.58 112.65 3fds h GLU 219 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.27 3fds h GLU 219 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.72 3fds h GLU 219 CO 0.00 0.06 -0.23 0.00 -0.00 0.00 0.00 179.01 178.84 3fds h ALA 220 N 1.86 1.24 0.00 1.06 0.00 -1.99 0.67 119.26 122.10 3fds h ALA 220 Ca 0.55 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3fds h ALA 220 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3fds h ALA 220 CO -0.78 0.50 -0.77 -0.22 0.00 0.00 0.00 179.25 177.97 3fds h LYS 221 N 0.33 0.00 -0.11 0.00 3.64 -1.54 -2.78 116.57 116.10 3fds h LYS 221 Ca 0.05 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3fds h LYS 221 Cb 0.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3fds h LYS 221 CO 0.04 0.77 -0.08 0.00 -2.27 0.00 0.00 179.45 177.91 3fds h ALA 222 N 1.23 0.16 0.00 5.00 0.00 -0.78 -1.31 119.26 123.57 3fds h ALA 222 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fds h ALA 222 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3fds h ALA 222 CO 0.10 -0.03 0.00 0.87 0.00 0.00 0.00 179.25 180.19 3fds h LYS 223 N -0.12 0.00 0.02 0.00 1.57 -0.93 -2.01 116.57 115.10 3fds h LYS 223 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fds h LYS 223 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3fds h LYS 223 CO 0.02 0.00 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.97 3fds h TYR 224 N 0.00 -0.02 -0.79 -1.35 3.20 -1.32 -3.21 116.97 113.47 3fds h TYR 224 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3fds h TYR 224 Cb 0.45 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3fds h TYR 224 CO 0.00 0.06 0.39 -0.07 -1.64 0.00 0.00 178.16 176.90 3fds h LEU 225 N -1.01 1.02 -0.57 2.82 3.38 -1.25 -2.03 115.31 117.67 3fds h LEU 225 Ca -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3fds h LEU 225 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fds h LEU 225 CO 0.00 0.85 0.04 0.40 0.09 0.00 0.00 178.44 179.82 3fds h ILE 226 N 1.12 1.26 0.00 1.22 2.04 -1.54 -0.66 117.51 120.96 3fds h ILE 226 Ca 0.27 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3fds h ILE 226 Cb 0.09 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3fds h ILE 226 CO -0.04 0.39 0.00 0.77 0.00 0.00 0.00 178.15 179.27 3fds h SER 227 N 0.87 0.00 0.24 1.72 4.64 -1.52 0.16 113.55 119.65 3fds h SER 227 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3fds h SER 227 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3fds h SER 227 CO 0.02 0.00 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.80 3fds h LEU 228 N 0.00 -0.27 -1.41 5.97 3.38 -1.13 0.50 115.31 122.35 3fds h LEU 228 Ca 0.00 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3fds h LEU 228 Cb 0.89 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3fds h LEU 228 CO 0.00 0.23 0.47 0.00 0.09 0.00 0.00 178.44 179.23 3fds h ALA 229 N -0.46 1.75 0.00 1.53 0.00 -1.08 0.20 119.26 121.19 3fds h ALA 229 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fds h ALA 229 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fds h ALA 229 CO 0.05 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3fds n ARG 230 N -4.48 0.53 -2.98 0.00 1.74 0.54 -4.89 116.66 107.11 3fds n ARG 230 Ca 0.11 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.99 3fds n ARG 230 Cb 0.25 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3fds n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fds n ASP 231 N -1.20 -5.91 -0.03 0.55 2.03 0.69 -4.88 116.55 107.81 3fds n ASP 231 Ca 0.15 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.20 3fds n ASP 231 Cb 0.17 -4.80 0.01 0.00 -0.72 0.00 0.00 41.12 35.78 3fds n ASP 231 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fds n GLU 232 N -3.91 2.49 -2.53 -0.67 1.02 0.15 -5.00 120.64 112.19 3fds n GLU 232 Ca -0.12 -1.39 -0.43 0.00 -0.02 0.00 0.00 57.16 55.20 3fds n GLU 232 Cb 0.62 -1.01 -0.02 0.00 -0.02 0.00 0.00 31.44 31.01 3fds n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3fds s TYR 233 N -0.88 3.17 0.35 -0.32 5.04 0.07 -4.94 117.35 119.85 3fds s TYR 233 Ca 0.01 1.27 -0.11 0.00 -2.44 0.00 0.00 57.07 55.79 3fds s TYR 233 Cb 0.00 -3.38 0.03 0.00 0.35 0.00 0.00 41.96 38.97 3fds s TYR 233 CO 0.01 -1.08 0.65 0.54 -1.34 0.00 0.00 175.55 174.32 3fds s ASN 234 N 1.51 0.29 0.00 4.32 4.22 -1.26 -4.80 114.94 119.22 3fds s ASN 234 Ca 0.52 -1.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.04 3fds s ASN 234 Cb -0.21 0.75 0.00 0.00 1.28 0.00 0.00 41.25 43.07 3fds s ASN 234 CO 0.16 -1.48 0.00 -1.84 -2.04 0.00 0.00 177.10 171.90 3fds n GLU 235 N -0.52 0.00 -3.45 3.55 0.28 -1.26 -5.10 120.64 114.13 3fds n GLU 235 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.75 3fds n GLU 235 Cb 0.61 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.46 3fds n GLU 235 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3fds s PRO 236 N 0.26 2.56 -0.21 3.44 0.04 -1.26 -5.01 135.00 134.82 3fds s PRO 236 Ca 0.00 -1.52 -0.29 0.00 0.04 0.00 0.00 61.00 59.23 3fds s PRO 236 Cb 0.00 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3fds s PRO 236 CO 0.00 -0.27 1.60 0.42 0.04 0.00 0.00 177.00 178.79 3fds s ILE 237 N -2.48 3.72 -0.50 0.56 1.09 -1.26 -4.95 121.20 117.38 3fds s ILE 237 Ca 0.49 0.82 -0.24 0.00 -1.10 0.00 0.00 60.65 60.62 3fds s ILE 237 Cb -0.04 -3.71 0.04 0.00 -1.06 0.00 0.00 42.46 37.68 3fds s ILE 237 CO 0.29 -0.28 0.87 -0.60 -0.10 0.00 0.00 174.94 175.12 3fds s ARG 238 N 4.58 3.36 1.06 2.79 3.52 -1.26 -4.89 118.95 128.11 3fds s ARG 238 Ca 0.71 -0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.92 3fds s ARG 238 Cb -0.25 -4.01 0.25 0.00 -1.56 0.00 0.00 34.95 29.39 3fds s ARG 238 CO 0.29 -1.32 1.19 0.25 -0.81 0.00 0.00 175.30 174.90 3fds n THR 239 N 6.16 0.00 -1.13 4.11 -2.24 -1.26 -4.17 114.28 115.76 3fds n THR 239 Ca 0.02 -0.74 -0.37 0.00 -2.27 0.00 0.00 64.05 60.69 3fds n THR 239 Cb 0.48 -1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 3fds n THR 239 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fds n ARG 240 N -4.18 0.00 -2.15 -0.78 5.12 -1.26 -4.81 116.66 108.60 3fds n ARG 240 Ca 0.16 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.65 3fds n ARG 240 Cb 0.56 -0.85 -0.02 0.00 -1.16 0.00 0.00 32.46 31.00 3fds n ARG 240 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3fds s VAL 241 N -1.22 3.72 0.43 1.55 -7.23 -1.26 -4.99 120.40 111.39 3fds s VAL 241 Ca 0.51 0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 61.22 3fds s VAL 241 Cb -0.62 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 32.43 3fds s VAL 241 CO 0.51 -0.41 1.19 -0.13 -0.31 0.00 0.00 175.10 175.96 3fds s ARG 242 N 4.89 3.90 0.32 4.82 1.81 -1.26 -4.96 118.95 128.47 3fds s ARG 242 Ca 0.70 1.87 0.20 0.00 -1.72 0.00 0.00 55.73 56.79 3fds s ARG 242 Cb -0.22 -2.57 0.16 0.00 -0.45 0.00 0.00 34.95 31.87 3fds s ARG 242 CO 0.30 -0.46 1.39 0.87 -0.68 0.00 0.00 175.30 176.72 3fds h LYS 243 N 2.38 0.00 -3.89 3.54 1.57 -1.96 -3.47 116.57 114.74 3fds h LYS 243 Ca -0.49 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 3fds h LYS 243 Cb 1.24 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.37 3fds h LYS 243 CO 0.61 0.15 -0.60 -1.54 -0.57 0.00 0.00 179.45 177.50 3fds s SER 244 N -6.06 0.23 -0.03 0.86 1.04 -1.26 -4.07 113.70 104.41 3fds s SER 244 Ca 0.04 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 3fds s SER 244 Cb 0.07 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3fds s SER 244 CO 0.73 -0.44 0.08 -0.63 0.98 0.00 0.00 173.24 173.95 3fds s ILE 245 N -2.33 -0.01 0.00 -1.02 1.01 -0.28 -4.95 121.20 113.62 3fds s ILE 245 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3fds s ILE 245 Cb -0.03 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3fds s ILE 245 CO -0.04 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3fds n GLY 246 N 3.22 0.62 3.29 6.18 0.00 -1.26 -0.22 105.19 117.02 3fds n GLY 246 Ca -0.15 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 3fds n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fds s ARG 247 N -1.36 0.56 0.04 1.61 3.52 -0.75 -4.86 118.95 117.71 3fds s ARG 247 Ca 0.00 0.33 0.08 0.00 -0.13 0.00 0.00 55.73 56.01 3fds s ARG 247 Cb 0.00 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 3fds s ARG 247 CO 0.00 -0.11 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.65 3fds s ILE 248 N -0.30 1.91 0.01 4.11 2.07 -1.26 -1.26 121.20 126.47 3fds s ILE 248 Ca -0.04 -1.28 0.03 0.00 -1.41 0.00 0.00 60.65 57.95 3fds s ILE 248 Cb -0.03 -1.64 -0.01 0.00 0.13 0.00 0.00 42.46 40.91 3fds s ILE 248 CO 0.02 0.31 -0.10 0.68 -1.91 0.00 0.00 174.94 173.94 3fds s VAL 249 N -0.78 0.80 -0.02 4.00 -7.23 -0.26 -4.97 120.40 111.95 3fds s VAL 249 Ca 0.10 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 3fds s VAL 249 Cb -0.09 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 3fds s VAL 249 CO 0.02 0.11 0.94 -0.89 -0.31 0.00 0.00 175.10 174.97 3fds s THR 250 N -0.47 4.89 0.32 5.32 2.01 -1.26 -1.56 115.64 124.90 3fds s THR 250 Ca 0.02 1.97 -0.10 0.00 0.31 0.00 0.00 61.69 63.89 3fds s THR 250 Cb -0.05 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 3fds s THR 250 CO 0.00 0.16 0.67 -0.04 -0.69 0.00 0.00 174.62 174.72 3fds s MET 251 N 1.05 3.81 0.45 4.92 -1.94 -0.02 -4.98 119.30 122.58 3fds s MET 251 Ca 0.50 0.38 0.14 0.00 -1.71 0.00 0.00 55.69 54.99 3fds s MET 251 Cb -0.20 -2.51 1.06 0.00 2.01 0.00 0.00 34.83 35.18 3fds s MET 251 CO 0.26 0.14 2.03 -0.22 -0.01 0.00 0.00 175.02 177.22 3fds h LYS 252 N 1.87 0.34 -3.72 2.03 1.63 -1.97 -3.44 116.57 113.29 3fds h LYS 252 Ca -0.47 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.21 3fds h LYS 252 Cb 1.18 -0.08 -0.15 0.00 -0.60 0.00 0.00 32.23 32.58 3fds h LYS 252 CO 0.66 0.22 -0.38 -0.98 -3.45 0.00 0.00 179.45 175.52 3fds s ARG 253 N -5.33 0.78 0.34 1.90 1.70 -1.26 -5.13 118.95 111.95 3fds s ARG 253 Ca -0.07 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 3fds s ARG 253 Cb 0.19 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3fds s ARG 253 CO 0.73 -0.24 1.42 -0.80 -1.08 0.00 0.00 175.30 175.33 3fds s ASN 254 N -2.58 6.55 0.07 -2.89 0.01 -1.26 -4.78 114.94 110.05 3fds s ASN 254 Ca 0.01 2.86 -0.17 0.00 -0.71 0.00 0.00 52.86 54.85 3fds s ASN 254 Cb 0.03 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 39.07 3fds s ASN 254 CO -0.08 -0.73 0.39 -0.55 -1.51 0.00 0.00 177.10 174.62 3fds s SER 255 N -0.16 -0.25 -0.05 -1.22 0.15 -0.37 -4.90 113.70 106.91 3fds s SER 255 Ca 0.53 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.14 3fds s SER 255 Cb -0.43 0.43 0.12 0.00 -1.71 0.00 0.00 66.02 64.42 3fds s SER 255 CO 0.56 -0.71 1.04 0.54 1.20 0.00 0.00 173.24 175.86 3fds n ARG 256 N 0.31 2.02 -3.17 5.44 1.74 -1.26 -0.98 116.66 120.77 3fds n ARG 256 Ca -0.18 -1.87 -0.42 0.00 -0.77 0.00 0.00 57.85 54.61 3fds n ARG 256 Cb 0.61 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.82 3fds n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3fds s ASN 257 N -1.71 6.32 0.24 0.55 3.84 -1.26 -4.94 114.94 117.98 3fds s ASN 257 Ca 0.13 -0.25 -0.07 0.00 0.21 0.00 0.00 52.86 52.88 3fds s ASN 257 Cb 0.11 -2.30 0.42 0.00 -0.55 0.00 0.00 41.25 38.94 3fds s ASN 257 CO 0.01 -0.66 1.63 0.25 -2.79 0.00 0.00 177.10 175.54 3fds h LEU 258 N 9.43 -0.37 -1.33 3.21 5.85 -1.98 0.26 115.31 130.38 3fds h LEU 258 Ca -0.26 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3fds h LEU 258 Cb 1.11 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 3fds h LEU 258 CO 0.84 -0.18 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.38 3fds h GLU 259 N 0.09 0.39 0.12 1.25 3.07 -2.01 0.29 114.58 117.79 3fds h GLU 259 Ca 0.41 -0.08 -0.28 0.00 -0.50 0.00 0.00 59.36 58.90 3fds h GLU 259 Cb 0.71 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3fds h GLU 259 CO -0.67 0.46 -1.33 1.49 -1.40 0.00 0.00 179.01 177.56 3fds h GLU 260 N 0.38 0.26 -0.03 2.33 4.81 -1.60 -3.35 114.58 117.37 3fds h GLU 260 Ca 0.08 -0.45 -0.19 0.00 -0.13 0.00 0.00 59.36 58.67 3fds h GLU 260 Cb 0.33 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3fds h GLU 260 CO 0.01 1.18 -0.81 0.82 -0.73 0.00 0.00 179.01 179.49 3fds h ILE 261 N 0.07 1.43 -0.47 2.32 2.04 -0.21 -3.37 117.51 119.31 3fds h ILE 261 Ca -0.17 -2.36 0.09 0.00 1.00 0.00 0.00 64.86 63.42 3fds h ILE 261 Cb 1.98 2.29 -0.08 0.00 -0.74 0.00 0.00 36.82 40.28 3fds h ILE 261 CO 0.19 0.70 0.02 0.11 0.00 0.00 0.00 178.15 179.16 3fds h LYS 262 N 0.18 0.13 -0.30 2.37 1.57 -1.08 -1.74 116.57 117.70 3fds h LYS 262 Ca -0.04 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3fds h LYS 262 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3fds h LYS 262 CO 0.13 0.08 0.20 -1.35 -0.57 0.00 0.00 179.45 177.94 3fds h PRO 263 N 0.13 0.37 -0.34 3.15 0.11 -1.78 0.10 132.00 133.74 3fds h PRO 263 Ca 0.24 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 3fds h PRO 263 Cb 0.35 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3fds h PRO 263 CO -0.38 0.24 -0.13 1.88 -0.21 0.00 0.00 178.00 179.41 3fds h TYR 264 N 0.38 0.79 -0.58 0.65 0.05 -1.57 -2.20 116.97 114.48 3fds h TYR 264 Ca 0.11 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 3fds h TYR 264 Cb -0.00 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3fds h TYR 264 CO -0.00 0.88 0.09 1.25 -1.05 0.00 0.00 178.16 179.33 3fds h LEU 265 N 0.47 0.93 -0.73 3.88 5.85 -0.87 -2.37 115.31 122.47 3fds h LEU 265 Ca 0.08 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3fds h LEU 265 Cb 0.65 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3fds h LEU 265 CO 0.04 0.95 0.09 -0.26 -0.34 0.00 0.00 178.44 178.92 3fds h PHE 266 N 0.86 1.12 -0.26 1.25 0.04 -0.92 -1.55 116.94 117.49 3fds h PHE 266 Ca 0.18 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3fds h PHE 266 Cb 0.42 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3fds h PHE 266 CO 0.03 0.95 -0.20 0.00 -0.60 0.00 0.00 178.31 178.50 3fds h ARG 267 N 0.99 0.47 -0.23 1.51 3.08 -1.25 -0.90 114.38 118.04 3fds h ARG 267 Ca 0.19 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3fds h ARG 267 Cb 0.45 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3fds h ARG 267 CO 0.01 0.65 0.11 0.00 -1.07 0.00 0.00 179.97 179.68 3fds h ALA 268 N 1.37 0.28 -0.56 0.04 0.00 -1.14 -0.79 119.26 118.45 3fds h ALA 268 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3fds h ALA 268 Cb 0.59 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3fds h ALA 268 CO 0.04 -0.29 0.11 0.82 0.00 0.00 0.00 179.25 179.93 3fds h ILE 269 N 0.24 0.67 0.71 0.00 2.04 -0.91 -0.30 117.51 119.96 3fds h ILE 269 Ca 0.09 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3fds h ILE 269 Cb 0.02 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3fds h ILE 269 CO -0.06 0.04 -0.34 -0.33 0.00 0.00 0.00 178.15 177.46 3fds h GLU 270 N 0.24 -0.92 -0.91 2.37 4.39 -0.69 -1.01 114.58 118.05 3fds h GLU 270 Ca 0.29 0.06 0.22 0.00 0.34 0.00 0.00 59.36 60.27 3fds h GLU 270 Cb 0.41 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 29.15 3fds h GLU 270 CO -0.38 -0.59 0.43 0.93 -1.16 0.00 0.00 179.01 178.24 3fds h GLU 271 N -1.04 0.42 -0.20 2.33 5.08 -1.13 -2.91 114.58 117.13 3fds h GLU 271 Ca -0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3fds h GLU 271 Cb 0.75 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3fds h GLU 271 CO 0.16 0.28 0.03 0.77 -1.00 0.00 0.00 179.01 179.25 3fds h SER 272 N 0.44 0.32 0.39 1.42 0.02 -0.33 -3.06 113.55 112.74 3fds h SER 272 Ca 0.57 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3fds h SER 272 Cb 1.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3fds h SER 272 CO -0.52 0.50 -0.21 1.88 -1.14 0.00 0.00 176.83 177.34 3fds h TYR 273 N 0.12 0.00 -0.68 3.45 0.05 -1.02 -1.06 116.97 117.84 3fds h TYR 273 Ca 0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 3fds h TYR 273 Cb 0.32 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3fds h TYR 273 CO 0.02 0.21 0.19 -0.92 -1.05 0.00 0.00 178.16 176.61 3fds h TYR 274 N 0.00 1.11 0.01 4.88 3.20 -1.43 -1.44 116.97 123.30 3fds h TYR 274 Ca -0.00 -0.12 -0.21 0.00 3.14 0.00 0.00 58.73 61.53 3fds h TYR 274 Cb 0.46 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3fds h TYR 274 CO 0.00 0.90 -0.93 0.87 -1.64 0.00 0.00 178.16 177.36 3fds h LYS 275 N 1.00 0.26 -0.49 1.82 1.57 -1.29 -3.20 116.57 116.24 3fds h LYS 275 Ca 0.21 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3fds h LYS 275 Cb 0.33 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3fds h LYS 275 CO -0.00 1.02 0.12 -0.07 -0.57 0.00 0.00 179.45 179.95 3fds h LEU 276 N 0.14 0.74 0.00 2.94 3.38 -1.03 -3.47 115.31 118.01 3fds h LEU 276 Ca -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fds h LEU 276 Cb 1.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3fds h LEU 276 CO 0.15 0.78 0.00 -0.67 0.09 0.00 0.00 178.44 178.79 3fds n ASP 277 N -4.47 0.00 0.02 -0.43 2.03 -0.56 -1.34 116.55 111.80 3fds n ASP 277 Ca 0.01 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.45 3fds n ASP 277 Cb 0.22 0.00 0.53 0.00 -0.72 0.00 0.00 41.12 41.15 3fds n ASP 277 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3fds n LYS 278 N 1.64 0.06 -2.93 -0.67 0.00 -1.26 -4.82 118.16 110.17 3fds n LYS 278 Ca 0.00 0.09 -0.41 0.00 -0.00 0.00 0.00 58.31 57.99 3fds n LYS 278 Cb 0.00 -1.57 -0.04 0.00 -0.00 0.00 0.00 35.03 33.42 3fds n LYS 278 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3fds s ARG 279 N -3.03 4.36 -0.31 -1.58 0.52 -0.45 -4.78 118.95 113.68 3fds s ARG 279 Ca 0.12 1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 56.20 3fds s ARG 279 Cb 0.16 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 3fds s ARG 279 CO 0.50 -0.19 0.24 0.42 0.02 0.00 0.00 175.30 176.29 3fds s ILE 280 N 1.66 5.28 0.25 1.52 1.01 -0.93 -4.84 121.20 125.15 3fds s ILE 280 Ca 0.39 0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 3fds s ILE 280 Cb -0.17 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 3fds s ILE 280 CO 0.15 0.12 0.69 -2.16 0.00 0.00 0.00 174.94 173.74 3fds s PRO 281 N 1.79 4.07 0.04 2.79 0.04 -1.26 0.35 135.00 142.82 3fds s PRO 281 Ca 0.08 0.67 0.22 0.00 0.04 0.00 0.00 61.00 62.01 3fds s PRO 281 Cb -0.17 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.59 3fds s PRO 281 CO 0.11 0.30 0.86 1.63 0.04 0.00 0.00 177.00 179.94 3fds n LYS 282 N 0.21 0.40 -4.44 4.56 5.02 0.10 -0.37 118.16 123.64 3fds n LYS 282 Ca -0.00 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 3fds n LYS 282 Cb 0.52 -1.59 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 3fds n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fds s ALA 283 N -3.29 1.37 -0.03 7.82 0.00 -0.77 0.27 121.76 127.13 3fds s ALA 283 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3fds s ALA 283 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 3fds s ALA 283 CO 0.84 0.28 -0.12 -1.50 0.00 0.00 0.00 175.76 175.25 3fds s ILE 284 N -0.85 1.03 -0.04 0.00 2.07 -0.50 -1.93 121.20 120.99 3fds s ILE 284 Ca 0.03 -0.50 0.06 0.00 -1.41 0.00 0.00 60.65 58.83 3fds s ILE 284 Cb -0.08 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 3fds s ILE 284 CO 0.01 0.31 -0.22 -1.00 -1.91 0.00 0.00 174.94 172.13 3fds s HIS 285 N 0.10 2.10 -0.11 3.50 3.76 -0.13 -1.20 115.29 123.32 3fds s HIS 285 Ca -0.03 -0.55 -0.15 0.00 -0.15 0.00 0.00 55.06 54.18 3fds s HIS 285 Cb -0.09 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.17 3fds s HIS 285 CO 0.01 -0.14 0.38 0.08 -0.85 0.00 0.00 174.74 174.21 3fds s VAL 286 N -0.23 5.21 -0.13 -0.90 1.01 0.09 -0.52 120.40 124.93 3fds s VAL 286 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.75 3fds s VAL 286 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3fds s VAL 286 CO 0.02 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 3fds s VAL 287 N 0.11 2.26 -0.05 2.92 1.01 -0.06 -1.99 120.40 124.60 3fds s VAL 287 Ca 0.21 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3fds s VAL 287 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3fds s VAL 287 CO 0.08 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.50 3fds s ALA 288 N 0.68 2.27 -0.24 5.51 0.00 0.12 -0.53 121.76 129.57 3fds s ALA 288 Ca -0.10 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 3fds s ALA 288 Cb -0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3fds s ALA 288 CO 0.01 0.47 0.13 0.08 0.00 0.00 0.00 175.76 176.45 3fds s VAL 289 N -0.38 4.96 0.65 0.00 1.01 -0.44 -0.86 120.40 125.33 3fds s VAL 289 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3fds s VAL 289 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3fds s VAL 289 CO 0.02 0.34 1.01 0.42 0.00 0.00 0.00 175.10 176.89 3fds s THR 290 N 1.26 3.76 0.38 3.92 -4.23 0.25 0.33 115.64 121.31 3fds s THR 290 Ca 0.06 0.36 0.13 0.00 -1.18 0.00 0.00 61.69 61.06 3fds s THR 290 Cb -0.14 -3.54 0.35 0.00 1.34 0.00 0.00 72.50 70.51 3fds s THR 290 CO 0.05 -0.65 1.85 1.05 -0.54 0.00 0.00 174.62 176.38 3fds h GLU 291 N -0.42 0.54 -0.68 3.99 4.11 -1.50 0.36 114.58 120.98 3fds h GLU 291 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3fds h GLU 291 Cb 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3fds h GLU 291 CO 0.63 0.35 0.00 -0.40 0.07 0.00 0.00 179.01 179.66 3fds n ASP 292 N -4.57 3.51 -0.11 3.06 5.75 -1.26 -4.91 116.55 118.02 3fds n ASP 292 Ca 0.19 -2.43 -0.01 0.00 -0.01 0.00 0.00 54.79 52.53 3fds n ASP 292 Cb 0.61 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 3fds n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fds n LEU 293 N 0.47 0.06 -4.80 -2.12 4.77 0.13 -5.03 117.00 110.48 3fds n LEU 293 Ca 0.16 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.87 3fds n LEU 293 Cb 0.72 -0.98 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 3fds n LEU 293 CO 0.17 -0.24 0.71 -0.62 -1.33 0.00 0.00 177.39 176.08 3fds s ASP 294 N -2.27 5.03 -0.14 -1.43 2.15 -1.26 -4.77 116.67 113.98 3fds s ASP 294 Ca 0.00 1.71 -0.00 0.00 0.43 0.00 0.00 52.55 54.69 3fds s ASP 294 Cb 0.00 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 3fds s ASP 294 CO 0.00 -1.68 -0.13 -0.63 -0.17 0.00 0.00 175.17 172.57 3fds s ILE 295 N -2.96 3.05 -0.08 4.11 1.01 -1.26 -0.58 121.20 124.49 3fds s ILE 295 Ca 0.60 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3fds s ILE 295 Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3fds s ILE 295 CO 0.55 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 175.20 3fds s VAL 296 N 0.45 1.14 0.05 2.92 1.01 -0.04 -5.01 120.40 120.92 3fds s VAL 296 Ca -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3fds s VAL 296 Cb -0.16 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3fds s VAL 296 CO 0.05 0.36 -0.10 -0.44 0.00 0.00 0.00 175.10 174.97 3fds s SER 297 N 0.92 1.19 -0.04 3.32 0.01 -1.26 -0.70 113.70 117.14 3fds s SER 297 Ca -0.10 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 3fds s SER 297 Cb -0.15 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.08 3fds s SER 297 CO 0.01 -0.13 0.11 -0.13 0.41 0.00 0.00 173.24 173.50 3fds s ARG 298 N -1.54 0.16 0.26 12.44 1.81 -0.84 -5.00 118.95 126.23 3fds s ARG 298 Ca -0.06 0.10 0.02 0.00 -1.72 0.00 0.00 55.73 54.07 3fds s ARG 298 Cb -0.09 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 3fds s ARG 298 CO 0.01 -0.02 0.18 0.20 -0.68 0.00 0.00 175.30 174.98 3fds s GLY 299 N -0.07 1.81 -0.03 -3.53 0.00 -1.26 -0.73 107.32 103.51 3fds s GLY 299 Ca -0.01 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 42.69 3fds s GLY 299 CO 0.00 -1.46 0.41 -1.60 0.00 0.00 0.00 173.10 170.45 3fds s ARG 300 N -3.90 0.76 -0.07 2.90 3.52 -0.34 -4.98 118.95 116.83 3fds s ARG 300 Ca 0.39 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 3fds s ARG 300 Cb 0.05 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3fds s ARG 300 CO 0.17 -0.21 -0.11 0.99 -0.81 0.00 0.00 175.30 175.33 3fds s THR 301 N -1.19 3.28 -0.23 4.11 2.01 -1.26 -1.40 115.64 120.96 3fds s THR 301 Ca -0.12 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3fds s THR 301 Cb -0.04 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.20 3fds s THR 301 CO 0.05 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.11 3fds s PHE 302 N -0.50 2.65 0.42 4.92 0.40 0.14 -5.00 117.98 121.01 3fds s PHE 302 Ca 0.07 -1.85 0.19 0.00 -0.60 0.00 0.00 56.93 54.73 3fds s PHE 302 Cb -0.12 -1.70 1.12 0.00 0.51 0.00 0.00 43.02 42.83 3fds s PHE 302 CO 0.02 -0.79 1.84 -1.35 0.70 0.00 0.00 175.22 175.64 3fds h PRO 303 N 7.91 0.36 -7.01 0.24 0.11 -1.98 -3.39 132.00 128.24 3fds h PRO 303 Ca -0.22 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.40 3fds h PRO 303 Cb 1.07 -0.08 0.07 0.00 0.11 0.00 0.00 31.00 32.17 3fds h PRO 303 CO 0.45 0.24 0.06 -1.01 -0.21 0.00 0.00 178.00 177.53 3fds s HIS 304 N -5.40 1.63 1.31 0.65 3.76 -1.26 -4.99 115.29 110.99 3fds s HIS 304 Ca -0.08 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.27 3fds s HIS 304 Cb 0.23 -2.84 0.33 0.00 1.11 0.00 0.00 32.58 31.41 3fds s HIS 304 CO 0.79 -1.56 1.05 0.41 -0.85 0.00 0.00 174.74 174.58 3fds n GLY 305 N -2.70 -3.08 3.26 -2.22 0.00 -1.26 -4.72 105.19 94.48 3fds n GLY 305 Ca 0.15 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3fds n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 306 N -2.79 3.87 0.90 -0.61 1.01 0.50 -4.91 121.20 119.18 3fds s ILE 306 Ca 0.71 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 3fds s ILE 306 Cb -0.08 -3.27 0.13 0.00 0.01 0.00 0.00 42.46 39.25 3fds s ILE 306 CO 0.56 -0.29 1.09 -0.94 0.00 0.00 0.00 174.94 175.36 3fds s SER 307 N 1.60 3.42 0.44 3.58 1.04 -1.26 -4.46 113.70 118.06 3fds s SER 307 Ca 0.00 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.10 3fds s SER 307 Cb -0.21 -2.23 1.00 0.00 0.10 0.00 0.00 66.02 64.68 3fds s SER 307 CO 0.02 -2.68 2.08 0.50 0.98 0.00 0.00 173.24 174.13 3fds h LYS 308 N -1.58 0.37 -0.17 4.02 3.64 -1.99 -1.15 116.57 119.71 3fds h LYS 308 Ca -0.49 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3fds h LYS 308 Cb 1.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3fds h LYS 308 CO 0.53 0.25 0.01 0.93 -2.27 0.00 0.00 179.45 178.90 3fds h GLU 309 N 0.38 0.29 -0.73 1.90 3.07 -2.00 -1.38 114.58 116.11 3fds h GLU 309 Ca 0.12 -0.09 0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3fds h GLU 309 Cb 0.03 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 3fds h GLU 309 CO -0.03 0.49 0.40 1.15 -1.40 0.00 0.00 179.01 179.62 3fds h THR 310 N 0.06 0.91 -0.30 1.13 2.02 -1.80 -2.18 112.91 112.75 3fds h THR 310 Ca 0.05 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3fds h THR 310 Cb 0.35 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3fds h THR 310 CO 0.01 0.13 0.16 0.00 0.37 0.00 0.00 175.52 176.18 3fds h ALA 311 N 1.41 0.38 -0.38 6.16 0.00 -1.07 0.29 119.26 126.05 3fds h ALA 311 Ca 0.35 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3fds h ALA 311 Cb 0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3fds h ALA 311 CO -0.23 -0.08 -0.33 1.88 0.00 0.00 0.00 179.25 180.49 3fds h TYR 312 N 0.36 -0.91 0.02 0.00 0.05 -0.98 0.22 116.97 115.74 3fds h TYR 312 Ca 0.10 0.06 -0.22 0.00 0.05 0.00 0.00 58.73 58.72 3fds h TYR 312 Cb 0.07 0.45 0.02 0.00 1.01 0.00 0.00 36.73 38.29 3fds h TYR 312 CO -0.03 -0.38 -0.88 0.66 -1.05 0.00 0.00 178.16 176.47 3fds h SER 313 N -0.26 0.74 -0.46 3.88 4.64 -1.14 -3.14 113.55 117.82 3fds h SER 313 Ca 0.17 -0.77 -0.11 0.00 -0.47 0.00 0.00 61.79 60.61 3fds h SER 313 Cb 0.54 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3fds h SER 313 CO -0.53 1.42 -0.13 -0.08 -0.87 0.00 0.00 176.83 176.64 3fds h GLU 314 N 0.15 0.94 -0.73 4.77 4.57 -0.43 -2.94 114.58 120.91 3fds h GLU 314 Ca -0.12 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 3fds h GLU 314 Cb 1.57 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.07 3fds h GLU 314 CO 0.17 1.01 0.41 0.66 -1.18 0.00 0.00 179.01 180.08 3fds h SER 315 N 0.83 0.90 -0.57 1.04 4.64 -0.60 -1.54 113.55 118.25 3fds h SER 315 Ca 0.13 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3fds h SER 315 Cb 0.68 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3fds h SER 315 CO 0.05 0.72 0.29 0.58 -0.87 0.00 0.00 176.83 177.60 3fds h VAL 316 N 1.02 1.20 -0.80 0.95 2.07 -1.48 0.65 116.25 119.84 3fds h VAL 316 Ca 0.26 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3fds h VAL 316 Cb 0.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3fds h VAL 316 CO -0.04 0.22 0.38 0.11 0.02 0.00 0.00 177.57 178.26 3fds h LYS 317 N 0.76 1.16 -0.21 1.57 1.57 -1.16 0.13 116.57 120.39 3fds h LYS 317 Ca 0.20 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3fds h LYS 317 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3fds h LYS 317 CO -0.03 0.89 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.26 3fds h LEU 318 N 1.15 0.73 -0.65 2.94 3.38 -1.04 -2.02 115.31 119.79 3fds h LEU 318 Ca 0.28 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3fds h LEU 318 Cb 0.12 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3fds h LEU 318 CO -0.03 1.14 0.37 0.25 0.09 0.00 0.00 178.44 180.25 3fds h LEU 319 N 0.34 0.56 -0.94 1.67 5.85 -0.69 -1.61 115.31 120.49 3fds h LEU 319 Ca 0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3fds h LEU 319 Cb 1.02 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3fds h LEU 319 CO 0.09 0.37 0.59 1.56 -0.34 0.00 0.00 178.44 180.72 3fds h GLN 320 N 0.69 1.03 -0.21 1.25 4.20 -0.83 -1.03 115.11 120.22 3fds h GLN 320 Ca 0.28 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3fds h GLN 320 Cb 0.14 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3fds h GLN 320 CO -0.16 0.68 0.04 -0.22 -0.67 0.00 0.00 178.83 178.51 3fds h LYS 321 N 1.06 0.33 -0.29 1.46 3.64 -0.97 0.39 116.57 122.20 3fds h LYS 321 Ca 0.41 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.78 3fds h LYS 321 Cb 0.20 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 3fds h LYS 321 CO -0.18 0.47 -0.17 0.82 -2.27 0.00 0.00 179.45 178.11 3fds h ILE 322 N 0.15 0.50 -0.44 2.00 2.04 -1.00 -0.73 117.51 120.02 3fds h ILE 322 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 3fds h ILE 322 Cb 0.29 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3fds h ILE 322 CO 0.00 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.16 3fds h LEU 323 N -0.14 0.62 -0.86 1.44 4.07 -0.89 0.14 115.31 119.69 3fds h LEU 323 Ca 0.15 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 3fds h LEU 323 Cb 0.38 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3fds h LEU 323 CO -0.38 0.64 -0.46 -0.33 -1.08 0.00 0.00 178.44 176.84 3fds h GLU 324 N 0.64 0.00 -0.00 1.13 5.08 -0.61 -3.32 114.58 117.49 3fds h GLU 324 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3fds h GLU 324 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3fds h GLU 324 CO 0.00 0.46 -0.61 0.39 -1.00 0.00 0.00 179.01 178.25 3fds n GLU 325 N -3.61 1.76 -3.83 2.33 1.02 -0.23 -4.87 120.64 113.22 3fds n GLU 325 Ca -0.00 -0.27 -0.18 0.00 -0.02 0.00 0.00 57.16 56.69 3fds n GLU 325 Cb 0.55 -1.26 -0.17 0.00 -0.02 0.00 0.00 31.44 30.55 3fds n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3fds s ASP 326 N -2.31 0.57 0.20 1.62 -1.08 0.33 -5.03 116.67 110.98 3fds s ASP 326 Ca 0.08 0.00 0.24 0.00 -0.52 0.00 0.00 52.55 52.36 3fds s ASP 326 Cb 0.12 -0.19 0.91 0.00 -1.46 0.00 0.00 42.92 42.30 3fds s ASP 326 CO 0.57 -0.14 1.73 -0.62 0.52 0.00 0.00 175.17 177.23 3fds n GLU 327 N 4.45 0.19 -2.20 4.34 4.71 -1.26 -4.53 120.64 126.34 3fds n GLU 327 Ca -0.21 0.30 -0.31 0.00 -0.01 0.00 0.00 57.16 56.94 3fds n GLU 327 Cb 0.50 -1.79 -0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3fds n GLU 327 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3fds s ARG 328 N -3.19 3.68 0.62 3.49 0.52 -1.26 -5.05 118.95 117.76 3fds s ARG 328 Ca 0.08 0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 3fds s ARG 328 Cb 0.11 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 3fds s ARG 328 CO 0.47 -0.40 1.10 0.15 0.02 0.00 0.00 175.30 176.64 3fds s LYS 329 N -4.75 3.04 -0.08 3.54 1.02 -1.26 -4.86 119.74 116.38 3fds s LYS 329 Ca 0.54 1.38 -0.03 0.00 0.02 0.00 0.00 55.97 57.88 3fds s LYS 329 Cb -0.11 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3fds s LYS 329 CO 0.46 -1.06 0.04 0.42 -0.92 0.00 0.00 175.35 174.29 3fds s ILE 330 N -2.27 4.64 -0.07 2.17 1.01 -0.15 -1.32 121.20 125.20 3fds s ILE 330 Ca 0.67 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.20 3fds s ILE 330 Cb -0.20 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 3fds s ILE 330 CO 0.38 0.58 -0.00 -1.14 0.00 0.00 0.00 174.94 174.75 3fds n ARG 331 N 1.98 2.27 -4.32 2.79 0.00 0.15 -1.23 116.66 118.30 3fds n ARG 331 Ca -0.18 0.01 -0.22 0.00 -0.00 0.00 0.00 57.85 57.46 3fds n ARG 331 Cb 0.54 -1.17 -0.13 0.00 0.00 0.00 0.00 32.46 31.70 3fds n ARG 331 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3fds s ARG 332 N -2.16 1.05 0.01 -0.14 1.81 -1.03 -0.84 118.95 117.65 3fds s ARG 332 Ca -0.05 -1.00 -0.00 0.00 -1.72 0.00 0.00 55.73 52.95 3fds s ARG 332 Cb 0.02 -1.18 -0.01 0.00 -0.45 0.00 0.00 34.95 33.33 3fds s ARG 332 CO 0.25 0.28 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.64 3fds s ILE 333 N -1.08 0.04 0.38 1.52 1.10 -0.60 -1.33 121.20 121.23 3fds s ILE 333 Ca 0.03 -0.34 -0.16 0.00 -0.51 0.00 0.00 60.65 59.67 3fds s ILE 333 Cb -0.09 -0.11 0.05 0.00 0.15 0.00 0.00 42.46 42.46 3fds s ILE 333 CO 0.03 -0.19 0.79 -0.83 -2.11 0.00 0.00 174.94 172.63 3fds s GLY 334 N -0.55 0.34 0.00 1.50 0.00 0.31 -1.10 107.32 107.83 3fds s GLY 334 Ca -0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 3fds s GLY 334 CO -0.00 -0.27 0.12 0.54 0.00 0.00 0.00 173.10 173.49 3fds s VAL 335 N -2.40 0.08 -0.05 1.40 0.11 -0.39 -0.88 120.40 118.27 3fds s VAL 335 Ca 0.15 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 3fds s VAL 335 Cb -0.05 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3fds s VAL 335 CO 0.11 -0.38 0.09 -0.60 -3.33 0.00 0.00 175.10 170.99 3fds s ARG 336 N -1.36 -0.03 0.00 1.54 3.52 0.32 -1.81 118.95 121.14 3fds s ARG 336 Ca -0.14 0.42 -0.00 0.00 -0.13 0.00 0.00 55.73 55.87 3fds s ARG 336 Cb -0.08 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 3fds s ARG 336 CO 0.01 -0.30 0.08 -0.06 -0.81 0.00 0.00 175.30 174.23 3fds s PHE 337 N 2.05 3.28 0.24 5.12 0.08 0.69 -0.96 117.98 128.49 3fds s PHE 337 Ca 0.02 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 3fds s PHE 337 Cb -0.12 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3fds s PHE 337 CO -0.04 0.55 0.41 -1.13 -0.10 0.00 0.00 175.22 174.91 3fds n SER 338 N 1.10 -1.17 -3.21 1.36 3.41 -0.81 -1.12 113.62 113.18 3fds n SER 338 Ca -0.12 -2.17 -0.12 0.00 -0.26 0.00 0.00 58.87 56.20 3fds n SER 338 Cb 0.53 2.05 0.01 0.00 -0.26 0.00 0.00 64.21 66.53 3fds n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fds n LYS 339 N -0.37 -1.74 -3.11 4.33 5.02 -1.26 -1.84 118.16 119.20 3fds n LYS 339 Ca -0.02 1.52 -0.37 0.00 -2.02 0.00 0.00 58.31 57.41 3fds n LYS 339 Cb 0.39 -4.55 -0.06 0.00 -0.02 0.00 0.00 35.03 30.79 3fds n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fds s PHE 340 N -2.68 3.71 -0.32 2.13 0.08 -1.26 -0.72 117.98 118.92 3fds s PHE 340 Ca 0.12 1.41 -0.13 0.00 0.12 0.00 0.00 56.93 58.45 3fds s PHE 340 Cb -0.02 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 3fds s PHE 340 CO 0.80 0.40 0.26 0.42 -0.10 0.00 0.00 175.22 177.01 3fds s ILE 341 N -1.41 5.26 -0.26 0.64 1.01 0.16 -4.94 121.20 121.66 3fds s ILE 341 Ca 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.06 3fds s ILE 341 Cb -0.18 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.67 3fds s ILE 341 CO 0.22 0.05 -0.04 -0.70 0.00 0.00 0.00 174.94 174.47 3fds s GLU 342 N 1.82 1.63 0.17 2.79 2.12 -1.26 -2.20 118.70 123.77 3fds s GLU 342 Ca 0.08 -1.18 -0.27 0.00 0.36 0.00 0.00 54.97 53.95 3fds s GLU 342 Cb -0.17 -2.68 -0.08 0.00 0.26 0.00 0.00 34.13 31.47 3fds s GLU 342 CO 0.11 -0.67 0.85 0.00 -0.54 0.00 0.00 175.26 175.01 3fds s ALA 343 N 1.29 3.38 -0.03 6.30 0.00 -1.26 -5.07 121.76 126.36 3fds s ALA 343 Ca -0.03 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.45 3fds s ALA 343 Cb -0.19 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3fds s ALA 343 CO -0.08 0.20 -0.19 0.96 0.00 0.00 0.00 175.76 176.65 3fds s ILE 344 N -0.87 2.64 0.58 0.00 -4.36 -1.26 -5.09 121.20 112.83 3fds s ILE 344 Ca 0.39 -0.91 -0.16 0.00 -0.26 0.00 0.00 60.65 59.71 3fds s ILE 344 Cb -0.24 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 3fds s ILE 344 CO 0.28 0.57 1.04 -0.83 0.24 0.00 0.00 174.94 176.24 3fds s GLY 345 N -0.73 2.09 0.56 6.27 0.00 -1.26 -4.93 107.32 109.31 3fds s GLY 345 Ca 0.11 0.33 0.28 0.00 0.00 0.00 0.00 44.72 45.44 3fds s GLY 345 CO 0.00 0.64 2.17 1.41 0.00 0.00 0.00 173.10 177.32 3fds h LEU 346 N 0.47 0.00 0.00 0.66 3.38 -2.01 -2.41 115.31 115.40 3fds h LEU 346 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3fds h LEU 346 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3fds h LEU 346 CO 0.58 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.64 3fds n ASP 347 N -3.79 0.00 -0.98 -0.43 8.00 -1.26 -1.56 116.55 116.53 3fds n ASP 347 Ca -0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.59 3fds n ASP 347 Cb 0.15 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.50 3fds n ASP 347 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fds n LYS 348 N -0.75 2.29 -0.00 -1.24 4.76 -0.91 -0.30 118.16 122.01 3fds n LYS 348 Ca 0.00 -1.94 0.04 0.00 -2.87 0.00 0.00 58.31 53.55 3fds n LYS 348 Cb 0.00 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.75 3fds n LYS 348 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3fds n PHE 349 N 1.17 0.01 -0.00 2.13 3.01 -0.60 -4.63 117.46 118.55 3fds n PHE 349 Ca 0.18 -0.01 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 3fds n PHE 349 Cb 0.53 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 3fds n PHE 349 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3fds h PHE 350 N 1.67 0.35 0.00 1.38 0.05 -0.71 -3.51 116.94 116.17 3fds h PHE 350 Ca 0.00 -0.25 0.00 0.00 3.82 0.00 0.00 57.97 61.54 3fds h PHE 350 Cb 0.36 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.30 3fds h PHE 350 CO 0.01 1.31 0.00 -0.25 -0.18 0.00 0.00 178.31 179.19 3fds n ASP 351 N -4.22 0.00 0.00 2.17 8.00 -1.26 -5.05 116.55 116.20 3fds n ASP 351 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3fds n ASP 351 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3fds n ASP 351 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88