#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 s SER 2 N 0.00 5.08 0.11 1.61 1.04 -1.26 -4.21 113.70 116.08 1x05 s SER 2 Ca 0.00 -3.69 0.00 0.00 0.48 0.00 0.00 55.95 52.74 1x05 s SER 2 Cb 0.00 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.40 1x05 s SER 2 CO 0.00 -0.14 0.00 -1.20 0.98 0.00 0.00 173.24 172.88 1x05 n SER 3 N 2.25 -1.02 -4.01 7.02 7.64 -1.26 -5.07 113.62 119.17 1x05 n SER 3 Ca 0.18 0.40 -0.31 0.00 1.01 0.00 0.00 58.87 60.15 1x05 n SER 3 Cb 0.35 1.20 -0.15 0.00 -1.01 0.00 0.00 64.21 64.61 1x05 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x05 s GLY 4 N -2.00 2.07 0.39 0.23 0.00 -1.26 -5.00 107.32 101.75 1x05 s GLY 4 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 44.72 42.00 1x05 s GLY 4 CO 0.00 0.96 0.00 1.44 0.00 0.00 0.00 173.10 175.50 1x05 n SER 5 N 3.98 -8.92 -4.74 1.64 7.64 -1.26 -4.87 113.62 107.08 1x05 n SER 5 Ca 0.04 1.26 -0.41 0.00 1.01 0.00 0.00 58.87 60.77 1x05 n SER 5 Cb 0.40 -4.70 -0.05 0.00 -1.01 0.00 0.00 64.21 58.85 1x05 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x05 s SER 6 N -2.24 7.44 0.00 6.43 0.15 -1.26 -4.58 113.70 119.64 1x05 s SER 6 Ca 0.00 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1x05 s SER 6 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1x05 s SER 6 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x05 n GLY 7 N 1.84 -0.47 3.48 9.45 0.00 -1.26 -4.99 105.19 113.24 1x05 n GLY 7 Ca 0.01 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1x05 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x05 s VAL 8 N 0.00 2.57 0.62 1.61 1.01 -1.26 -3.40 120.40 121.54 1x05 s VAL 8 Ca 0.00 -2.23 -0.17 0.00 0.00 0.00 0.00 61.98 59.57 1x05 s VAL 8 Cb 0.00 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 1x05 s VAL 8 CO 0.00 -0.31 0.46 -0.38 0.00 0.00 0.00 175.10 174.87 1x05 n ILE 9 N -0.38 1.95 -2.64 2.22 2.08 -1.26 -3.98 119.36 117.35 1x05 n ILE 9 Ca -0.07 -0.47 -0.42 0.00 0.56 0.00 0.00 62.75 62.34 1x05 n ILE 9 Cb 0.59 -0.64 -0.03 0.00 -0.75 0.00 0.00 39.64 38.81 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1x05 s LEU 10 N 0.90 3.55 0.00 1.39 1.98 -1.26 -4.91 118.68 120.34 1x05 s LEU 10 Ca 0.67 -0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 1x05 s LEU 10 Cb -0.42 -2.90 0.00 0.00 0.66 0.00 0.00 46.19 43.53 1x05 s LEU 10 CO 0.57 -1.53 0.00 0.29 -1.89 0.00 0.00 176.35 173.79 1x05 n LYS 11 N 8.46 -1.15 -0.10 1.98 5.02 -1.26 -4.97 118.16 126.13 1x05 n LYS 11 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 1x05 n LYS 11 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.41 1x05 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x05 n GLU 12 N -1.57 0.47 0.16 1.97 -0.58 -1.26 -4.19 120.64 115.63 1x05 n GLU 12 Ca 0.00 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1x05 n GLU 12 Cb 0.00 -1.33 0.57 0.00 -0.57 0.00 0.00 31.44 30.11 1x05 n GLU 12 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x05 h GLU 13 N -0.30 0.00 -0.56 3.49 9.09 -2.03 0.50 114.58 124.77 1x05 h GLU 13 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1x05 h GLU 13 Cb 1.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.69 1x05 h GLU 13 CO -0.17 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.08 1x05 n PHE 14 N -2.31 0.93 -1.05 2.06 3.72 -1.26 -4.70 117.46 114.86 1x05 n PHE 14 Ca 0.00 -0.55 -0.24 0.00 -0.05 0.00 0.00 57.45 56.61 1x05 n PHE 14 Cb 0.13 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N 1.01 2.62 0.00 -1.08 5.12 0.16 -4.70 116.66 119.79 1x05 n ARG 15 Ca 0.21 -1.50 0.00 0.00 -1.93 0.00 0.00 57.85 54.62 1x05 n ARG 15 Cb 0.64 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x05 n GLY 16 N 3.12 3.67 3.15 -0.13 0.00 -1.23 -3.82 105.19 109.95 1x05 n GLY 16 Ca 0.56 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1x05 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 17 N -0.71 0.20 0.46 1.61 0.11 -1.19 -4.97 120.40 115.92 1x05 s VAL 17 Ca 0.00 -1.90 0.01 0.00 -2.93 0.00 0.00 61.98 57.15 1x05 s VAL 17 Cb 0.00 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 1x05 s VAL 17 CO 0.00 -0.56 0.68 -0.63 -3.33 0.00 0.00 175.10 171.26 1x05 s ILE 18 N -3.97 3.78 0.00 7.04 1.01 -1.26 -1.46 121.20 126.34 1x05 s ILE 18 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1x05 s ILE 18 Cb 0.07 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1x05 s ILE 18 CO -0.00 -0.28 0.00 2.30 0.00 0.00 0.00 174.94 176.96 1x05 n ILE 19 N -2.12 0.00 -4.22 2.92 -0.00 -0.66 -4.81 119.36 110.48 1x05 n ILE 19 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.60 1x05 n ILE 19 Cb 0.58 -0.16 -0.13 0.00 -0.00 0.00 0.00 39.64 39.93 1x05 n ILE 19 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1x05 s LYS 20 N -1.34 0.73 -0.05 6.28 2.47 -1.24 -5.03 119.74 121.57 1x05 s LYS 20 Ca 0.00 -0.70 -0.23 0.00 -1.56 0.00 0.00 55.97 53.48 1x05 s LYS 20 Cb 0.00 -0.67 0.05 0.00 -1.46 0.00 0.00 37.83 35.75 1x05 s LYS 20 CO 0.00 0.16 0.50 -0.65 0.16 0.00 0.00 175.35 175.52 1x05 s GLN 21 N -1.20 0.85 0.00 4.03 -0.21 -1.26 -0.35 119.66 121.52 1x05 s GLN 21 Ca -0.02 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1x05 s GLN 21 Cb -0.08 0.39 0.00 0.00 1.00 0.00 0.00 33.01 34.32 1x05 s GLN 21 CO 0.01 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 1x05 n GLY 22 N 1.22 -1.11 3.93 3.09 0.00 -0.97 -5.01 105.19 106.34 1x05 n GLY 22 Ca -0.20 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -2.84 0.87 -0.60 0.00 1.43 0.32 -4.85 118.68 113.00 1x05 s LEU 24 Ca 0.35 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1x05 s LEU 24 Cb -0.12 1.37 0.13 0.00 0.03 0.00 0.00 46.19 47.60 1x05 s LEU 24 CO 0.28 -0.63 0.63 -0.76 0.23 0.00 0.00 176.35 176.11 1x05 s LEU 25 N -2.11 5.86 -0.21 1.79 2.01 -1.24 -1.14 118.68 123.64 1x05 s LEU 25 Ca -0.04 -1.73 -0.20 0.00 0.01 0.00 0.00 54.13 52.17 1x05 s LEU 25 Cb -0.01 -2.26 -0.02 0.00 0.01 0.00 0.00 46.19 43.91 1x05 s LEU 25 CO -0.04 -0.95 0.61 -0.75 1.01 0.00 0.00 176.35 176.23 1x05 s LYS 26 N 1.98 4.18 0.28 1.70 2.20 -1.15 -2.82 119.74 126.11 1x05 s LYS 26 Ca 0.09 0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 56.13 1x05 s LYS 26 Cb -0.25 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 1x05 s LYS 26 CO 0.03 -0.27 0.65 -0.65 -0.36 0.00 0.00 175.35 174.75 1x05 s GLN 27 N 2.02 3.92 0.00 4.03 -1.52 -1.05 -4.18 119.66 122.88 1x05 s GLN 27 Ca 0.27 0.50 0.00 0.00 -1.95 0.00 0.00 55.36 54.19 1x05 s GLN 27 Cb -0.16 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1x05 s GLN 27 CO 0.10 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 1x05 n GLY 28 N -0.21 5.05 2.74 3.09 0.00 -1.26 -4.73 105.19 109.87 1x05 n GLY 28 Ca 0.02 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1x05 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x05 n HIS 29 N 0.00 3.52 -0.08 1.61 1.44 -1.26 -4.69 115.22 115.77 1x05 n HIS 29 Ca 0.00 -3.65 -0.11 0.00 -2.01 0.00 0.00 57.72 51.94 1x05 n HIS 29 Cb 0.00 -0.71 -0.07 0.00 0.12 0.00 0.00 29.99 29.32 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x05 n ARG 30 N 0.30 0.40 -2.51 -1.40 5.12 -1.26 -5.08 116.66 112.22 1x05 n ARG 30 Ca 0.33 0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 56.28 1x05 n ARG 30 Cb 0.37 -1.31 0.01 0.00 -1.16 0.00 0.00 32.46 30.36 1x05 n ARG 30 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1x05 n ARG 31 N -2.99 -1.80 0.00 5.56 5.12 -1.26 -4.92 116.66 116.36 1x05 n ARG 31 Ca -0.28 1.73 0.00 0.00 -1.93 0.00 0.00 57.85 57.36 1x05 n ARG 31 Cb 0.80 -4.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.45 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1x05 n LYS 32 N -0.35 0.00 -3.41 5.56 0.00 -1.26 -5.16 118.16 113.54 1x05 n LYS 32 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1x05 n LYS 32 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 1x05 n LYS 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x05 n ASN 33 N -1.07 0.00 -3.76 3.14 2.85 -1.26 -5.17 115.26 109.99 1x05 n ASN 33 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1x05 n ASN 33 Cb 0.00 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.11 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1x05 n TRP 34 N 3.00 -3.19 -3.75 1.20 7.02 -1.26 -4.89 117.44 115.58 1x05 n TRP 34 Ca 0.00 -1.21 -0.12 0.00 -1.02 0.00 0.00 57.50 55.15 1x05 n TRP 34 Cb 0.00 -0.55 -0.12 0.00 -2.42 0.00 0.00 31.31 28.22 1x05 n TRP 34 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1x05 s LYS 35 N -4.44 0.32 0.13 -0.99 2.20 -1.26 -5.05 119.74 110.65 1x05 s LYS 35 Ca 0.48 0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 1x05 s LYS 35 Cb -0.03 0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.31 1x05 s LYS 35 CO 0.32 -0.08 0.97 0.08 -0.36 0.00 0.00 175.35 176.28 1x05 s VAL 36 N 0.55 4.42 0.01 4.02 1.01 -1.26 -2.92 120.40 126.22 1x05 s VAL 36 Ca -0.03 2.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 1x05 s VAL 36 Cb -0.05 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1x05 s VAL 36 CO -0.03 0.34 0.42 -0.13 0.00 0.00 0.00 175.10 175.70 1x05 s ARG 37 N -0.15 0.85 0.26 2.72 0.52 -0.29 -4.65 118.95 118.22 1x05 s ARG 37 Ca 0.46 -0.19 -0.28 0.00 -0.52 0.00 0.00 55.73 55.20 1x05 s ARG 37 Cb -0.24 0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.52 1x05 s ARG 37 CO 0.30 -0.27 0.93 0.21 0.02 0.00 0.00 175.30 176.49 1x05 s LYS 38 N -1.84 4.73 -0.13 3.54 2.20 -0.54 0.12 119.74 127.82 1x05 s LYS 38 Ca -0.09 1.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.89 1x05 s LYS 38 Cb -0.02 -3.10 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1x05 s LYS 38 CO 0.02 0.43 0.04 -0.06 -0.36 0.00 0.00 175.35 175.42 1x05 s PHE 39 N -1.34 0.65 -0.13 4.03 0.40 0.33 -2.08 117.98 119.84 1x05 s PHE 39 Ca 0.44 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1x05 s PHE 39 Cb -0.23 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1x05 s PHE 39 CO 0.28 -0.45 -0.05 0.42 0.70 0.00 0.00 175.22 176.12 1x05 s ILE 40 N 1.98 3.77 -0.09 0.64 1.01 0.50 -2.29 121.20 126.72 1x05 s ILE 40 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1x05 s ILE 40 Cb -0.15 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1x05 s ILE 40 CO -0.07 0.52 -0.03 -0.22 0.00 0.00 0.00 174.94 175.14 1x05 s LEU 41 N 0.12 3.40 -0.03 2.97 2.96 0.53 0.03 118.68 128.65 1x05 s LEU 41 Ca -0.02 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1x05 s LEU 41 Cb -0.14 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1x05 s LEU 41 CO 0.03 0.35 0.06 0.00 -1.32 0.00 0.00 176.35 175.47 1x05 s ARG 42 N -0.74 -0.03 -0.04 1.98 1.70 0.01 -1.65 118.95 120.19 1x05 s ARG 42 Ca 0.11 0.28 -0.03 0.00 -0.47 0.00 0.00 55.73 55.62 1x05 s ARG 42 Cb -0.11 -0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 33.92 1x05 s ARG 42 CO 0.02 -0.22 0.11 -1.83 -1.08 0.00 0.00 175.30 172.31 1x05 s GLU 43 N 1.43 3.24 -0.57 3.89 4.04 -0.53 -0.10 118.70 130.11 1x05 s GLU 43 Ca -0.05 -0.36 -0.14 0.00 0.04 0.00 0.00 54.97 54.47 1x05 s GLU 43 Cb -0.13 -2.99 0.02 0.00 0.02 0.00 0.00 34.13 31.06 1x05 s GLU 43 CO -0.03 0.69 0.64 -3.47 -1.84 0.00 0.00 175.26 171.24 1x05 n ASP 44 N 1.37 -7.13 -4.74 0.83 2.03 -1.26 -3.18 116.55 104.47 1x05 n ASP 44 Ca -0.14 0.07 -0.29 0.00 0.52 0.00 0.00 54.79 54.95 1x05 n ASP 44 Cb 0.53 -4.29 0.14 0.00 -0.72 0.00 0.00 41.12 36.78 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x05 s PRO 45 N -2.96 1.06 -0.69 -0.67 0.04 -1.25 -3.54 135.00 126.98 1x05 s PRO 45 Ca 0.18 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.30 1x05 s PRO 45 Cb -0.04 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.81 1x05 s PRO 45 CO 0.80 -2.25 0.74 0.00 0.04 0.00 0.00 177.00 176.34 1x05 s ALA 46 N -3.29 3.63 0.11 8.56 0.00 -1.24 -4.70 121.76 124.82 1x05 s ALA 46 Ca 0.64 -2.65 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 1x05 s ALA 46 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1x05 s ALA 46 CO 0.53 -2.36 0.09 0.71 0.00 0.00 0.00 175.76 174.73 1x05 s TYR 47 N 1.83 0.59 -0.19 0.00 2.02 0.86 -1.64 117.35 120.82 1x05 s TYR 47 Ca 0.15 -1.02 -0.02 0.00 -0.37 0.00 0.00 57.07 55.81 1x05 s TYR 47 Cb -0.19 -0.32 0.06 0.00 -0.40 0.00 0.00 41.96 41.11 1x05 s TYR 47 CO -0.01 -0.52 0.02 -1.17 -1.57 0.00 0.00 175.55 172.30 1x05 s LEU 48 N -2.97 1.25 -0.02 -1.29 1.98 -1.03 -0.81 118.68 115.79 1x05 s LEU 48 Ca 0.16 -0.78 -0.02 0.00 -2.89 0.00 0.00 54.13 50.60 1x05 s LEU 48 Cb 0.06 -0.64 -0.04 0.00 0.66 0.00 0.00 46.19 46.24 1x05 s LEU 48 CO -0.03 -0.29 0.11 -1.00 -1.89 0.00 0.00 176.35 173.25 1x05 s HIS 49 N 1.82 3.39 -0.06 5.38 3.76 0.10 -1.18 115.29 128.52 1x05 s HIS 49 Ca -0.01 0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1x05 s HIS 49 Cb -0.17 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.76 1x05 s HIS 49 CO -0.08 0.60 0.01 1.52 -0.85 0.00 0.00 174.74 175.94 1x05 s TYR 50 N -1.20 0.52 0.24 1.40 1.13 -1.24 0.19 117.35 118.40 1x05 s TYR 50 Ca 0.23 -0.08 0.08 0.00 -1.41 0.00 0.00 57.07 55.89 1x05 s TYR 50 Cb -0.12 -0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 40.02 1x05 s TYR 50 CO 0.13 -0.26 0.07 0.71 -2.51 0.00 0.00 175.55 173.69 1x05 s TYR 51 N 1.76 2.88 0.33 -3.49 1.51 -0.88 -1.84 117.35 117.62 1x05 s TYR 51 Ca 0.01 -0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1x05 s TYR 51 Cb -0.13 -1.31 -0.10 0.00 -0.11 0.00 0.00 41.96 40.31 1x05 s TYR 51 CO -0.04 0.56 1.26 0.34 -1.11 0.00 0.00 175.55 176.57 1x05 s ASP 52 N -3.57 6.85 -0.08 2.29 -1.08 -1.26 -1.46 116.67 118.36 1x05 s ASP 52 Ca 0.31 2.60 -0.27 0.00 -0.52 0.00 0.00 52.55 54.67 1x05 s ASP 52 Cb -0.08 -2.64 -0.23 0.00 -1.46 0.00 0.00 42.92 38.51 1x05 s ASP 52 CO 0.21 -0.47 1.01 1.55 0.52 0.00 0.00 175.17 177.99 1x05 h PRO 53 N 3.43 -0.00 -1.55 4.34 0.13 -1.93 -3.17 132.00 133.24 1x05 h PRO 53 Ca -0.49 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.10 1x05 h PRO 53 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1x05 h PRO 53 CO 0.66 0.74 1.12 0.00 -0.23 0.00 0.00 178.00 180.28 1x05 h ALA 54 N 0.24 3.47 0.00 -0.56 0.00 -1.92 -3.44 119.26 117.04 1x05 h ALA 54 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x05 h ALA 54 Cb 0.74 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x05 h ALA 54 CO 0.00 -1.91 0.00 0.41 0.00 0.00 0.00 179.25 177.75 1x05 n GLY 55 N -1.84 4.82 2.74 0.00 0.00 -1.20 -5.19 105.19 104.52 1x05 n GLY 55 Ca 0.34 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 n ALA 56 N -1.84 -2.00 0.03 4.61 0.00 -1.26 -4.75 120.51 115.30 1x05 n ALA 56 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1x05 n ALA 56 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1x05 n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x05 n GLU 57 N -0.53 0.00 -3.16 0.00 2.13 -1.26 -5.01 120.64 112.81 1x05 n GLU 57 Ca -0.01 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.58 1x05 n GLU 57 Cb 0.41 -0.31 -0.00 0.00 0.27 0.00 0.00 31.44 31.81 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x05 s ASP 58 N -5.61 6.06 0.01 4.31 1.01 -1.26 -5.05 116.67 116.15 1x05 s ASP 58 Ca 0.00 0.37 -0.30 0.00 0.71 0.00 0.00 52.55 53.33 1x05 s ASP 58 Cb 0.00 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 1x05 s ASP 58 CO 0.00 -0.51 1.19 -2.16 0.21 0.00 0.00 175.17 173.90 1x05 s PRO 59 N -4.45 4.41 0.53 8.23 0.04 -1.26 -4.77 135.00 137.73 1x05 s PRO 59 Ca 0.44 1.71 0.36 0.00 0.04 0.00 0.00 61.00 63.56 1x05 s PRO 59 Cb -0.10 -3.44 1.52 0.00 0.04 0.00 0.00 34.50 32.53 1x05 s PRO 59 CO 0.37 -0.32 1.78 -0.07 0.04 0.00 0.00 177.00 178.80 1x05 h LEU 60 N 7.34 0.05 0.00 -3.56 3.38 -1.74 -3.45 115.31 117.33 1x05 h LEU 60 Ca -0.39 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x05 h LEU 60 Cb 1.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1x05 h LEU 60 CO 0.83 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1x05 n GLY 61 N -1.75 -0.71 3.40 0.83 0.00 -1.26 -5.07 105.19 100.64 1x05 n GLY 61 Ca 0.28 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1x05 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 62 N -1.00 -1.37 -0.23 4.61 0.00 -1.26 -3.59 121.76 118.92 1x05 s ALA 62 Ca 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 1x05 s ALA 62 Cb 0.00 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1x05 s ALA 62 CO 0.00 -0.41 -0.11 0.42 0.00 0.00 0.00 175.76 175.66 1x05 s ILE 63 N -1.81 2.53 0.14 0.00 1.01 -0.32 -4.94 121.20 117.81 1x05 s ILE 63 Ca -0.09 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 1x05 s ILE 63 Cb -0.01 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 1x05 s ILE 63 CO 0.03 0.26 1.60 -2.28 0.00 0.00 0.00 174.94 174.56 1x05 s HIS 64 N 1.28 2.88 -0.61 3.97 2.46 -1.26 -2.46 115.29 121.55 1x05 s HIS 64 Ca -0.00 0.52 0.16 0.00 0.47 0.00 0.00 55.06 56.21 1x05 s HIS 64 Cb -0.16 -3.96 0.60 0.00 -0.13 0.00 0.00 32.58 28.93 1x05 s HIS 64 CO -0.07 -3.62 1.51 1.28 -2.47 0.00 0.00 174.74 171.37 1x05 n LEU 65 N 4.39 4.29 -4.57 8.88 4.77 -0.65 -4.21 117.00 129.91 1x05 n LEU 65 Ca 0.15 -2.65 -0.29 0.00 -0.03 0.00 0.00 56.01 53.19 1x05 n LEU 65 Cb 0.39 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1x05 n LEU 65 CO 0.62 0.72 1.41 -0.13 -1.33 0.00 0.00 177.39 178.69 1x05 s ARG 66 N -2.19 2.67 0.00 3.23 1.81 -1.26 -2.59 118.95 120.62 1x05 s ARG 66 Ca 0.44 -0.64 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 1x05 s ARG 66 Cb 0.31 -5.15 0.00 0.00 -0.45 0.00 0.00 34.95 29.66 1x05 s ARG 66 CO 0.16 -3.40 0.00 0.41 -0.68 0.00 0.00 175.30 171.79 1x05 n GLY 67 N 6.55 0.40 3.33 -3.53 0.00 -1.26 -4.42 105.19 106.26 1x05 n GLY 67 Ca 0.41 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -2.30 0.51 -0.08 0.00 1.01 0.45 -4.96 120.40 115.04 1x05 s VAL 69 Ca 0.69 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1x05 s VAL 69 Cb -0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1x05 s VAL 69 CO 0.59 0.14 -0.07 -0.69 0.00 0.00 0.00 175.10 175.07 1x05 s VAL 70 N -0.16 3.67 0.26 2.92 1.01 -1.26 0.14 120.40 126.98 1x05 s VAL 70 Ca 0.02 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1x05 s VAL 70 Cb -0.03 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1x05 s VAL 70 CO -0.00 0.59 0.65 0.28 0.00 0.00 0.00 175.10 176.62 1x05 s THR 71 N -0.68 0.00 0.30 3.92 -1.32 0.85 -4.96 115.64 113.74 1x05 s THR 71 Ca 0.10 -0.97 0.08 0.00 -1.21 0.00 0.00 61.69 59.69 1x05 s THR 71 Cb -0.11 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1x05 s THR 71 CO 0.02 -0.01 0.17 -0.44 -2.21 0.00 0.00 174.62 172.15 1x05 s SER 72 N -2.92 5.10 0.35 8.08 0.01 -1.26 -0.51 113.70 122.56 1x05 s SER 72 Ca 0.12 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1x05 s SER 72 Cb -0.04 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1x05 s SER 72 CO 0.05 -0.17 0.00 1.33 0.41 0.00 0.00 173.24 174.86 1x05 n VAL 73 N -1.17 0.00 -2.05 3.43 0.24 -1.22 -4.22 118.33 113.34 1x05 n VAL 73 Ca -0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1x05 n VAL 73 Cb 0.59 -1.48 -0.01 0.00 -1.47 0.00 0.00 33.84 31.47 1x05 n VAL 73 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1x05 n GLU 74 N -0.74 0.00 0.00 7.34 0.28 -1.26 -4.97 120.64 121.29 1x05 n GLU 74 Ca 0.00 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.34 1x05 n GLU 74 Cb 0.00 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 32.81 1x05 n GLU 74 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x05 n SER 75 N 0.05 0.00 0.00 -1.84 7.64 -1.26 -4.86 113.62 113.35 1x05 n SER 75 Ca -0.04 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1x05 n SER 75 Cb 0.66 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1x05 n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x05 n ASN 76 N -2.98 0.00 -2.67 6.43 3.02 -1.26 -5.11 115.26 112.69 1x05 n ASN 76 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1x05 n ASN 76 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1x05 n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x05 s SER 77 N 0.00 -0.19 0.03 6.41 0.15 -1.26 -4.82 113.70 114.02 1x05 s SER 77 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1x05 s SER 77 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x05 s SER 77 CO 0.00 -0.01 0.00 0.59 1.20 0.00 0.00 173.24 175.02 1x05 n ASN 78 N 2.66 -0.25 -0.06 5.45 4.13 -1.26 -4.99 115.26 120.94 1x05 n ASN 78 Ca 0.10 0.32 -0.09 0.00 1.68 0.00 0.00 54.58 56.60 1x05 n ASN 78 Cb 0.65 0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 39.36 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x05 n GLY 79 N -1.23 -0.17 3.58 7.41 0.00 -1.26 -5.02 105.19 108.50 1x05 n GLY 79 Ca 0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1x05 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x05 n ARG 80 N -2.91 1.25 0.00 1.61 3.00 -1.26 -4.97 116.66 113.38 1x05 n ARG 80 Ca -0.21 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1x05 n ARG 80 Cb 0.72 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1x05 n ARG 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x05 n LYS 81 N 0.81 -0.17 -1.64 -0.14 5.02 -1.26 -4.83 118.16 115.96 1x05 n LYS 81 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 1x05 n LYS 81 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.29 1x05 n LYS 81 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x05 n SER 82 N -2.48 3.82 0.02 4.39 2.88 -1.26 -4.57 113.62 116.41 1x05 n SER 82 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1x05 n SER 82 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1x05 n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x05 n GLU 83 N 7.95 0.00 -3.72 -1.46 -0.58 -1.26 -5.12 120.64 116.45 1x05 n GLU 83 Ca 0.24 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1x05 n GLU 83 Cb 0.42 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.16 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x05 s GLU 84 N -2.00 0.26 0.00 3.49 0.41 -1.26 -5.16 118.70 114.44 1x05 s GLU 84 Ca 0.00 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 1x05 s GLU 84 Cb 0.00 -0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.26 1x05 s GLU 84 CO 0.00 -0.16 0.00 0.39 -0.49 0.00 0.00 175.26 175.00 1x05 n GLU 85 N 4.27 2.94 -2.85 1.61 1.02 -1.26 -4.81 120.64 121.56 1x05 n GLU 85 Ca -0.24 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 1x05 n GLU 85 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x05 s ASN 86 N -1.29 6.64 0.38 1.62 0.01 -1.26 -4.91 114.94 116.13 1x05 s ASN 86 Ca 0.00 0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.71 1x05 s ASN 86 Cb 0.00 -2.44 -0.07 0.00 0.41 0.00 0.00 41.25 39.15 1x05 s ASN 86 CO 0.00 -0.82 0.03 -0.76 -1.51 0.00 0.00 177.10 174.04 1x05 s LEU 87 N 3.36 2.55 -0.06 0.60 1.43 -1.26 0.56 118.68 125.87 1x05 s LEU 87 Ca 0.36 -1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 51.82 1x05 s LEU 87 Cb -0.12 -0.67 0.06 0.00 0.03 0.00 0.00 46.19 45.49 1x05 s LEU 87 CO 0.18 -0.54 0.57 0.72 0.23 0.00 0.00 176.35 177.51 1x05 s PHE 88 N -2.97 -0.53 -0.14 0.29 -0.12 -1.07 -3.39 117.98 110.06 1x05 s PHE 88 Ca 0.34 0.94 -0.08 0.00 -0.05 0.00 0.00 56.93 58.09 1x05 s PHE 88 Cb 0.09 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1x05 s PHE 88 CO 0.16 -0.51 0.14 -2.00 -0.05 0.00 0.00 175.22 172.96 1x05 s GLU 89 N -1.06 3.69 -0.14 1.99 2.12 0.33 -2.99 118.70 122.65 1x05 s GLU 89 Ca -0.10 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 1x05 s GLU 89 Cb -0.02 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.14 1x05 s GLU 89 CO 0.07 0.62 -0.05 0.42 -0.54 0.00 0.00 175.26 175.79 1x05 s ILE 90 N -0.58 0.99 0.04 -3.70 1.01 -0.89 -0.11 121.20 117.96 1x05 s ILE 90 Ca 0.13 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1x05 s ILE 90 Cb -0.12 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1x05 s ILE 90 CO 0.02 0.20 0.34 -0.63 0.00 0.00 0.00 174.94 174.87 1x05 s ILE 91 N 1.70 5.18 0.13 2.92 1.01 0.12 -1.86 121.20 130.40 1x05 s ILE 91 Ca 0.02 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1x05 s ILE 91 Cb -0.14 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1x05 s ILE 91 CO -0.08 0.36 0.12 0.35 0.00 0.00 0.00 174.94 175.70 1x05 n THR 92 N 1.14 0.00 0.78 2.92 -2.24 -0.59 0.17 114.28 116.46 1x05 n THR 92 Ca -0.10 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1x05 n THR 92 Cb 0.53 -0.57 0.44 0.00 -2.10 0.00 0.00 70.33 68.63 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 n ALA 93 N -2.78 1.94 0.51 6.98 0.00 -1.26 -1.35 120.51 124.55 1x05 n ALA 93 Ca -0.04 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1x05 n ALA 93 Cb 0.14 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.39 1x05 n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x05 n ASP 94 N -1.39 2.65 0.00 0.00 9.92 -1.26 -4.93 116.55 121.54 1x05 n ASP 94 Ca 0.07 -1.78 0.00 0.00 -0.53 0.00 0.00 54.79 52.55 1x05 n ASP 94 Cb 0.18 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x05 n GLU 95 N 0.99 -0.12 -2.02 -1.24 1.02 -0.46 -4.97 120.64 113.85 1x05 n GLU 95 Ca 0.12 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 1x05 n GLU 95 Cb 0.45 -2.98 -0.03 0.00 -0.02 0.00 0.00 31.44 28.86 1x05 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x05 s VAL 96 N -2.83 2.94 -0.04 2.62 1.01 -1.26 -4.62 120.40 118.22 1x05 s VAL 96 Ca 0.00 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1x05 s VAL 96 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1x05 s VAL 96 CO 0.00 0.04 0.15 -1.00 0.00 0.00 0.00 175.10 174.29 1x05 s HIS 97 N 1.45 3.51 -0.05 5.22 3.76 -1.26 -1.54 115.29 126.38 1x05 s HIS 97 Ca 0.69 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 1x05 s HIS 97 Cb -0.40 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1x05 s HIS 97 CO 0.31 0.65 -0.02 0.71 -0.85 0.00 0.00 174.74 175.54 1x05 s TYR 98 N -1.22 0.60 -0.38 1.40 1.51 -0.77 -4.93 117.35 113.57 1x05 s TYR 98 Ca 0.23 -0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1x05 s TYR 98 Cb -0.12 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1x05 s TYR 98 CO 0.14 -0.21 0.20 -0.06 -1.11 0.00 0.00 175.55 174.51 1x05 s PHE 99 N 1.19 3.26 -0.10 2.71 0.08 -1.26 -2.10 117.98 121.77 1x05 s PHE 99 Ca -0.07 -1.17 0.02 0.00 0.12 0.00 0.00 56.93 55.84 1x05 s PHE 99 Cb -0.14 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1x05 s PHE 99 CO -0.02 -0.71 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.71 1x05 s LEU 100 N 1.50 2.48 -0.16 -0.37 2.01 -1.16 -2.54 118.68 120.44 1x05 s LEU 100 Ca 0.01 -0.38 -0.12 0.00 0.01 0.00 0.00 54.13 53.65 1x05 s LEU 100 Cb -0.20 -1.52 -0.05 0.00 0.01 0.00 0.00 46.19 44.43 1x05 s LEU 100 CO 0.05 0.21 0.24 -1.58 1.01 0.00 0.00 176.35 176.28 1x05 s GLN 101 N 0.08 4.18 -0.23 1.70 0.74 -1.13 -2.58 119.66 122.42 1x05 s GLN 101 Ca -0.08 0.01 -0.08 0.00 0.05 0.00 0.00 55.36 55.26 1x05 s GLN 101 Cb -0.15 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1x05 s GLN 101 CO 0.05 0.30 0.10 0.00 -0.55 0.00 0.00 175.29 175.20 1x05 s ALA 102 N 0.30 3.39 0.12 1.58 0.00 0.19 -3.61 121.76 123.73 1x05 s ALA 102 Ca 0.14 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1x05 s ALA 102 Cb -0.12 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1x05 s ALA 102 CO 0.03 -0.19 1.39 0.00 0.00 0.00 0.00 175.76 176.98 1x05 n ALA 103 N 4.31 -0.48 -2.67 0.00 0.00 -1.26 -3.98 120.51 116.43 1x05 n ALA 103 Ca -0.16 0.63 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1x05 n ALA 103 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1x05 n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x05 s THR 104 N -4.88 4.60 -0.31 0.00 -4.23 -1.26 -4.74 115.64 104.82 1x05 s THR 104 Ca -0.09 -0.93 0.27 0.00 -1.18 0.00 0.00 61.69 59.76 1x05 s THR 104 Cb 0.08 -3.62 0.34 0.00 1.34 0.00 0.00 72.50 70.64 1x05 s THR 104 CO 0.46 -0.26 1.79 1.55 -0.54 0.00 0.00 174.62 177.62 1x05 h PRO 105 N 0.96 0.00 0.00 3.99 0.13 -1.95 -2.79 132.00 132.34 1x05 h PRO 105 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1x05 h PRO 105 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1x05 h PRO 105 CO 0.57 0.00 -0.80 -0.22 -0.23 0.00 0.00 178.00 177.32 1x05 h LYS 106 N 0.00 0.00 -0.15 0.86 3.64 -1.94 -3.26 116.57 115.72 1x05 h LYS 106 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1x05 h LYS 106 Cb 0.68 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1x05 h LYS 106 CO 0.00 0.80 -0.63 1.49 -2.27 0.00 0.00 179.45 178.84 1x05 h GLU 107 N 0.00 0.70 -0.70 1.90 4.57 -1.86 -2.56 114.58 116.64 1x05 h GLU 107 Ca -0.01 -0.55 0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1x05 h GLU 107 Cb 1.57 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 30.13 1x05 h GLU 107 CO 0.10 1.17 -0.16 -0.09 -1.18 0.00 0.00 179.01 178.85 1x05 h ARG 108 N 0.39 0.01 0.37 1.92 1.12 -1.57 0.18 114.38 116.81 1x05 h ARG 108 Ca -0.04 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 1x05 h ARG 108 Cb 1.27 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1x05 h ARG 108 CO 0.13 0.00 -0.18 1.15 -3.11 0.00 0.00 179.97 177.97 1x05 h THR 109 N 0.01 0.00 -0.76 0.20 2.02 -1.65 -2.53 112.91 110.19 1x05 h THR 109 Ca 0.34 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.36 1x05 h THR 109 Cb 0.52 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 1x05 h THR 109 CO -0.71 0.00 -0.39 -0.62 0.37 0.00 0.00 175.52 174.17 1x05 n GLU 110 N -4.04 -0.28 0.00 6.66 1.02 -0.96 0.12 120.64 123.16 1x05 n GLU 110 Ca -0.06 1.16 -0.13 0.00 -0.02 0.00 0.00 57.16 58.11 1x05 n GLU 110 Cb 0.20 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.83 1x05 n GLU 110 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1x05 h TRP 111 N 0.00 -1.30 -0.21 -0.32 4.06 -0.73 1.14 115.95 118.59 1x05 h TRP 111 Ca 0.18 0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.21 1x05 h TRP 111 Cb 0.37 0.59 -0.05 0.00 -1.00 0.00 0.00 29.16 29.07 1x05 h TRP 111 CO -0.74 -0.50 -0.34 0.82 -3.56 0.00 0.00 178.44 174.12 1x05 h ILE 112 N -0.52 0.00 -1.00 1.49 5.03 0.14 0.48 117.51 123.13 1x05 h ILE 112 Ca 0.06 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 65.04 1x05 h ILE 112 Cb 0.65 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.34 1x05 h ILE 112 CO -0.40 0.00 0.63 0.11 -0.68 0.00 0.00 178.15 177.81 1x05 h LYS 113 N -0.27 0.48 0.09 2.37 1.57 0.36 0.21 116.57 121.37 1x05 h LYS 113 Ca 0.04 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1x05 h LYS 113 CO -0.35 0.32 -0.12 0.00 -0.57 0.00 0.00 179.45 178.74 1x05 h ALA 114 N 1.63 -0.20 0.05 3.86 0.00 0.57 0.13 119.26 125.30 1x05 h ALA 114 Ca 0.57 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.47 1x05 h ALA 114 Cb 1.27 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1x05 h ALA 114 CO -0.30 -0.63 -0.15 0.82 0.00 0.00 0.00 179.25 178.99 1x05 h ILE 115 N -0.24 0.65 -0.04 0.00 2.04 0.26 -2.65 117.51 117.53 1x05 h ILE 115 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1x05 h ILE 115 Cb 0.25 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1x05 h ILE 115 CO -0.05 0.00 -0.41 1.56 0.00 0.00 0.00 178.15 179.25 1x05 h GLN 116 N -0.27 -0.47 -0.84 2.37 4.20 -0.73 0.51 115.11 119.87 1x05 h GLN 116 Ca 0.03 0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.97 1x05 h GLN 116 Cb 0.30 0.11 -0.16 0.00 0.30 0.00 0.00 27.48 28.03 1x05 h GLN 116 CO -0.11 -0.31 -0.11 -0.12 -0.67 0.00 0.00 178.83 177.52 1x05 n MET 117 N -4.72 -0.07 0.10 1.46 0.00 0.42 0.10 117.12 114.41 1x05 n MET 117 Ca -0.05 1.29 -0.12 0.00 -0.00 0.00 0.00 57.70 58.82 1x05 n MET 117 Cb 0.29 -1.99 -0.08 0.00 0.00 0.00 0.00 33.22 31.45 1x05 n MET 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x05 h ALA 118 N 1.69 -0.29 -0.70 -5.12 0.00 -0.88 -2.04 119.26 111.91 1x05 h ALA 118 Ca 0.45 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1x05 h ALA 118 Cb 0.82 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 1x05 h ALA 118 CO -0.84 -0.44 -0.07 0.66 0.00 0.00 0.00 179.25 178.56 1x05 h SER 119 N -0.73 -0.46 -0.26 0.00 4.64 0.51 0.14 113.55 117.38 1x05 h SER 119 Ca -0.03 0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1x05 h SER 119 Cb 0.50 0.37 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1x05 h SER 119 CO 0.05 -0.19 0.10 0.03 -0.87 0.00 0.00 176.83 175.94 1x05 h ARG 120 N 0.06 0.21 0.00 4.77 -0.00 0.71 -3.43 114.38 116.71 1x05 h ARG 120 Ca 0.36 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.85 1x05 h ARG 120 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 1x05 h ARG 120 CO -0.66 0.14 -0.03 -2.37 0.00 0.00 0.00 179.97 177.05 1x05 n THR 121 N -5.02 0.00 -3.45 2.04 5.66 0.47 -4.64 114.28 109.35 1x05 n THR 121 Ca -0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.72 1x05 n THR 121 Cb 0.09 -0.03 -0.10 0.00 -1.55 0.00 0.00 70.33 68.74 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x05 n GLY 122 N -0.34 2.36 3.37 1.09 0.00 -1.26 -5.03 105.19 105.38 1x05 n GLY 122 Ca 0.00 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1x05 n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x05 n LYS 123 N 2.71 3.42 -2.28 1.61 4.76 -1.26 -4.62 118.16 122.50 1x05 n LYS 123 Ca 0.29 -3.83 -0.00 0.00 -2.87 0.00 0.00 58.31 51.90 1x05 n LYS 123 Cb 0.47 -3.00 -0.00 0.00 -1.84 0.00 0.00 35.03 30.65 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x05 n SER 124 N 5.25 -5.58 -0.19 4.39 2.88 -1.26 -5.07 113.62 114.04 1x05 n SER 124 Ca 0.37 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1x05 n SER 124 Cb 0.42 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x05 n GLY 125 N 0.50 0.81 2.42 0.46 0.00 -1.26 -5.17 105.19 102.95 1x05 n GLY 125 Ca -0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1x05 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x05 n PRO 126 N 0.00 -1.63 -3.68 1.61 -0.04 -1.26 -5.04 135.00 124.96 1x05 n PRO 126 Ca 0.00 -1.25 -0.28 0.00 -0.04 0.00 0.00 63.50 61.93 1x05 n PRO 126 Cb 0.00 -0.99 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1x05 n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x05 s SER 127 N -3.83 3.34 -0.13 3.54 0.01 -1.26 -4.98 113.70 110.39 1x05 s SER 127 Ca 0.48 -3.38 -0.09 0.00 1.31 0.00 0.00 55.95 54.27 1x05 s SER 127 Cb -0.03 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.15 1x05 s SER 127 CO 0.35 -0.14 0.17 -1.20 0.41 0.00 0.00 173.24 172.83 1x05 n SER 128 N 2.52 -2.65 0.00 2.44 7.64 -1.26 -5.28 113.62 117.03 1x05 n SER 128 Ca 0.22 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1x05 n SER 128 Cb 0.40 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64