#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 n SER 2 N 0.00 -8.24 -1.54 1.61 7.64 -1.26 -5.01 113.62 106.82 1x05 n SER 2 Ca 0.00 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1x05 n SER 2 Cb 0.00 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.12 1x05 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x05 n SER 3 N -3.39 -7.76 0.00 6.43 7.64 -1.26 -5.09 113.62 110.18 1x05 n SER 3 Ca -0.04 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1x05 n SER 3 Cb 0.58 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 4 N 0.63 4.21 1.44 0.23 0.00 -1.26 -5.14 105.19 105.30 1x05 n GLY 4 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x05 n SER 5 N 0.00 -6.59 -4.87 1.61 2.88 -1.26 -5.04 113.62 100.35 1x05 n SER 5 Ca 0.00 0.89 -0.21 0.00 -1.33 0.00 0.00 58.87 58.22 1x05 n SER 5 Cb 0.00 -3.46 -0.03 0.00 -0.75 0.00 0.00 64.21 59.97 1x05 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x05 s SER 6 N -0.66 5.49 0.00 -3.46 0.01 -1.26 -4.89 113.70 108.93 1x05 s SER 6 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1x05 s SER 6 Cb 0.00 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1x05 s SER 6 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x05 n GLY 7 N -1.37 0.68 3.23 3.44 0.00 -1.26 -5.14 105.19 104.78 1x05 n GLY 7 Ca -0.03 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1x05 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 8 N 0.00 0.00 0.80 1.61 0.11 -1.26 -5.14 120.40 116.52 1x05 s VAL 8 Ca 0.00 -1.99 -0.15 0.00 -2.93 0.00 0.00 61.98 56.91 1x05 s VAL 8 Cb 0.00 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 1x05 s VAL 8 CO 0.00 0.00 0.37 -0.38 -3.33 0.00 0.00 175.10 171.76 1x05 n ILE 9 N -0.37 1.07 -4.12 7.04 2.08 -1.26 -4.96 119.36 118.84 1x05 n ILE 9 Ca 0.03 -0.35 -0.35 0.00 0.56 0.00 0.00 62.75 62.65 1x05 n ILE 9 Cb 0.65 -0.62 -0.12 0.00 -0.75 0.00 0.00 39.64 38.80 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 0.39 3.34 -0.28 1.39 1.98 -1.26 -5.05 118.68 119.18 1x05 s LEU 10 Ca 0.61 -0.15 -0.29 0.00 -2.89 0.00 0.00 54.13 51.41 1x05 s LEU 10 Cb -0.30 -1.84 -0.02 0.00 0.66 0.00 0.00 46.19 44.69 1x05 s LEU 10 CO 0.63 0.10 1.62 -0.54 -1.89 0.00 0.00 176.35 176.27 1x05 s LYS 11 N 0.81 3.64 0.36 1.98 1.02 -1.26 -4.85 119.74 121.43 1x05 s LYS 11 Ca 0.01 1.47 0.15 0.00 0.02 0.00 0.00 55.97 57.62 1x05 s LYS 11 Cb -0.14 -4.07 1.02 0.00 -0.52 0.00 0.00 37.83 34.11 1x05 s LYS 11 CO 0.02 -1.48 1.73 1.05 -0.92 0.00 0.00 175.35 175.75 1x05 h GLU 12 N 11.26 0.45 -0.05 1.68 -0.00 -2.00 1.22 114.58 127.14 1x05 h GLU 12 Ca -0.32 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 58.91 1x05 h GLU 12 Cb 1.15 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.78 1x05 h GLU 12 CO 1.02 0.30 -0.44 1.05 -0.00 0.00 0.00 179.01 180.94 1x05 h GLU 13 N 0.46 0.12 0.00 1.06 4.11 -2.00 -2.37 114.58 115.96 1x05 h GLU 13 Ca 0.64 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1x05 h GLU 13 Cb 1.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1x05 h GLU 13 CO -0.41 0.54 0.00 0.74 0.07 0.00 0.00 179.01 179.95 1x05 h PHE 14 N 0.10 0.00 -0.77 2.06 -1.00 0.10 -3.28 116.94 114.15 1x05 h PHE 14 Ca 0.01 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.94 1x05 h PHE 14 Cb 0.82 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.27 1x05 h PHE 14 CO 0.01 0.00 0.28 0.00 -1.61 0.00 0.00 178.31 176.99 1x05 h ARG 15 N 0.00 0.38 0.00 1.51 2.47 -0.23 -3.41 114.38 115.10 1x05 h ARG 15 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1x05 h ARG 15 Cb 0.84 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1x05 h ARG 15 CO 0.00 0.25 0.00 0.41 0.56 0.00 0.00 179.97 181.19 1x05 n GLY 16 N -1.33 -2.92 3.28 0.04 0.00 -1.24 -4.95 105.19 98.07 1x05 n GLY 16 Ca 0.15 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 0.41 0.48 1.61 0.11 -1.23 -4.93 120.40 116.85 1x05 s VAL 17 Ca 0.00 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.08 1x05 s VAL 17 Cb 0.00 -2.58 0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1x05 s VAL 17 CO 0.00 -0.02 0.67 -0.63 -3.33 0.00 0.00 175.10 171.80 1x05 s ILE 18 N -3.86 3.17 0.00 7.04 1.01 -1.26 -1.93 121.20 125.36 1x05 s ILE 18 Ca 0.38 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1x05 s ILE 18 Cb 0.08 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1x05 s ILE 18 CO 0.13 -0.09 0.00 2.30 0.00 0.00 0.00 174.94 177.28 1x05 n ILE 19 N -2.10 0.00 -4.03 2.92 -0.00 -0.69 -4.80 119.36 110.66 1x05 n ILE 19 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.69 1x05 n ILE 19 Cb 0.59 -0.22 -0.11 0.00 -0.00 0.00 0.00 39.64 39.90 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 -1.45 0.42 0.12 6.28 2.20 -1.25 -5.05 119.74 121.02 1x05 s LYS 20 Ca 0.00 -0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 1x05 s LYS 20 Cb 0.00 -0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1x05 s LYS 20 CO 0.00 0.01 0.38 -0.65 -0.36 0.00 0.00 175.35 174.73 1x05 s GLN 21 N -1.45 1.05 0.00 4.03 -0.21 -1.26 -1.54 119.66 120.28 1x05 s GLN 21 Ca -0.12 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.53 1x05 s GLN 21 Cb -0.10 0.46 0.00 0.00 1.00 0.00 0.00 33.01 34.37 1x05 s GLN 21 CO -0.00 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1x05 n GLY 22 N -0.21 -0.10 3.50 3.09 0.00 -0.98 -5.01 105.19 105.48 1x05 n GLY 22 Ca -0.16 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.32 1.56 -0.49 0.00 1.43 0.19 -4.90 118.68 115.15 1x05 s LEU 24 Ca 0.15 -1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1x05 s LEU 24 Cb -0.11 0.28 0.12 0.00 0.03 0.00 0.00 46.19 46.52 1x05 s LEU 24 CO 0.05 -0.76 0.35 -0.76 0.23 0.00 0.00 176.35 175.47 1x05 s LEU 25 N -3.12 5.68 -0.11 1.79 2.01 -1.22 -1.20 118.68 122.51 1x05 s LEU 25 Ca 0.31 -2.00 -0.21 0.00 0.01 0.00 0.00 54.13 52.23 1x05 s LEU 25 Cb 0.07 -2.00 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 1x05 s LEU 25 CO 0.06 -0.66 0.63 -0.75 1.01 0.00 0.00 176.35 176.64 1x05 s LYS 26 N 1.23 4.36 0.01 1.70 2.20 -1.24 -2.53 119.74 125.47 1x05 s LYS 26 Ca 0.07 0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 56.17 1x05 s LYS 26 Cb -0.25 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1x05 s LYS 26 CO -0.01 0.01 0.66 -0.65 -0.36 0.00 0.00 175.35 174.99 1x05 s GLN 27 N 1.03 4.38 0.15 4.03 -1.52 -1.02 -4.38 119.66 122.33 1x05 s GLN 27 Ca 0.32 0.85 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1x05 s GLN 27 Cb -0.17 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 1x05 s GLN 27 CO 0.14 0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.91 1x05 n GLY 28 N 2.47 -0.26 2.73 3.09 0.00 -1.26 -4.70 105.19 107.26 1x05 n GLY 28 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1x05 n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x05 n HIS 29 N -3.01 -3.07 -0.07 1.61 -0.00 -1.26 -5.06 115.22 104.36 1x05 n HIS 29 Ca 0.00 -1.24 -0.12 0.00 -0.00 0.00 0.00 57.72 56.37 1x05 n HIS 29 Cb 0.00 -0.51 -0.06 0.00 -0.00 0.00 0.00 29.99 29.42 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1x05 n ARG 30 N -2.30 0.33 -1.39 -0.41 1.74 -1.26 -5.02 116.66 108.35 1x05 n ARG 30 Ca 0.12 0.10 -0.34 0.00 -0.77 0.00 0.00 57.85 56.95 1x05 n ARG 30 Cb 0.41 -1.18 0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1x05 n ARG 30 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x05 s ARG 31 N -2.27 2.07 0.40 5.56 1.81 -1.26 -4.76 118.95 120.50 1x05 s ARG 31 Ca -0.19 1.76 0.00 0.00 -1.72 0.00 0.00 55.73 55.58 1x05 s ARG 31 Cb 0.06 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1x05 s ARG 31 CO 0.29 -1.89 0.00 1.63 -0.68 0.00 0.00 175.30 174.65 1x05 n LYS 32 N -2.80 -2.81 -0.72 3.54 4.76 -1.26 -4.91 118.16 113.96 1x05 n LYS 32 Ca 0.13 2.02 -0.09 0.00 -2.87 0.00 0.00 58.31 57.50 1x05 n LYS 32 Cb 0.50 -3.38 0.06 0.00 -1.84 0.00 0.00 35.03 30.38 1x05 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x05 n ASN 33 N -4.10 0.10 -4.40 4.39 4.13 -1.26 -5.05 115.26 109.06 1x05 n ASN 33 Ca -0.02 -1.19 -0.29 0.00 1.68 0.00 0.00 54.58 54.76 1x05 n ASN 33 Cb 0.61 -0.31 0.21 0.00 -1.54 0.00 0.00 39.78 38.75 1x05 n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1x05 s TRP 34 N -1.77 1.48 0.21 3.10 0.52 -1.26 -5.04 118.94 116.17 1x05 s TRP 34 Ca 0.24 0.88 0.10 0.00 0.02 0.00 0.00 56.10 57.34 1x05 s TRP 34 Cb -0.01 -3.26 -0.05 0.00 -1.15 0.00 0.00 33.47 29.01 1x05 s TRP 34 CO 0.17 -3.43 -0.18 0.15 0.02 0.00 0.00 176.95 173.67 1x05 s LYS 35 N -4.97 1.43 -0.18 4.98 1.02 -1.26 -5.08 119.74 115.68 1x05 s LYS 35 Ca 0.67 -1.57 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 1x05 s LYS 35 Cb -0.18 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1x05 s LYS 35 CO 0.59 0.28 0.06 0.08 -0.92 0.00 0.00 175.35 175.43 1x05 s VAL 36 N -2.37 4.74 0.02 3.17 1.01 -1.26 -3.65 120.40 122.06 1x05 s VAL 36 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1x05 s VAL 36 Cb -0.04 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1x05 s VAL 36 CO 0.09 0.47 0.16 -0.13 0.00 0.00 0.00 175.10 175.69 1x05 s ARG 37 N 0.34 0.58 0.17 2.72 1.81 -0.34 -4.62 118.95 119.61 1x05 s ARG 37 Ca 0.03 -0.52 -0.26 0.00 -1.72 0.00 0.00 55.73 53.26 1x05 s ARG 37 Cb -0.12 0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.54 1x05 s ARG 37 CO 0.00 -0.15 0.79 0.21 -0.68 0.00 0.00 175.30 175.47 1x05 s LYS 38 N -1.96 4.58 -0.06 3.54 2.20 0.02 0.53 119.74 128.59 1x05 s LYS 38 Ca -0.10 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1x05 s LYS 38 Cb -0.04 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1x05 s LYS 38 CO -0.01 0.56 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.42 1x05 s PHE 39 N -1.13 1.06 -0.10 4.03 0.08 0.16 -1.16 117.98 120.92 1x05 s PHE 39 Ca 0.36 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1x05 s PHE 39 Cb -0.23 -0.88 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1x05 s PHE 39 CO 0.27 -0.28 -0.22 0.42 -0.10 0.00 0.00 175.22 175.31 1x05 s ILE 40 N 1.06 1.92 -0.12 0.64 1.01 0.49 -2.33 121.20 123.88 1x05 s ILE 40 Ca -0.08 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1x05 s ILE 40 Cb -0.14 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1x05 s ILE 40 CO -0.01 0.53 -0.02 -0.22 0.00 0.00 0.00 174.94 175.22 1x05 s LEU 41 N 0.44 3.39 -0.05 2.97 2.96 -0.59 0.10 118.68 127.90 1x05 s LEU 41 Ca -0.17 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1x05 s LEU 41 Cb -0.17 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1x05 s LEU 41 CO 0.07 0.27 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.20 1x05 s ARG 42 N -0.25 0.80 -0.11 1.98 0.52 0.58 -1.71 118.95 120.76 1x05 s ARG 42 Ca 0.05 -0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.13 1x05 s ARG 42 Cb -0.13 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 1x05 s ARG 42 CO 0.02 -0.10 0.05 -1.83 0.02 0.00 0.00 175.30 173.47 1x05 s GLU 43 N 1.00 3.25 -0.56 3.54 4.04 -0.82 -0.03 118.70 129.13 1x05 s GLU 43 Ca -0.10 -0.31 -0.14 0.00 0.04 0.00 0.00 54.97 54.47 1x05 s GLU 43 Cb -0.14 -2.97 0.02 0.00 0.02 0.00 0.00 34.13 31.05 1x05 s GLU 43 CO -0.00 0.68 0.64 -3.47 -1.84 0.00 0.00 175.26 171.26 1x05 n ASP 44 N 2.25 -7.26 -4.74 0.83 -0.08 -1.26 -3.47 116.55 102.82 1x05 n ASP 44 Ca -0.19 0.12 -0.29 0.00 -1.51 0.00 0.00 54.79 52.93 1x05 n ASP 44 Cb 0.54 -4.47 0.14 0.00 2.34 0.00 0.00 41.12 39.67 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1x05 s PRO 45 N -2.91 1.07 -0.66 -0.67 0.04 -1.26 -3.62 135.00 126.99 1x05 s PRO 45 Ca 0.18 0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.32 1x05 s PRO 45 Cb -0.04 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1x05 s PRO 45 CO 0.79 -2.24 0.64 0.00 0.04 0.00 0.00 177.00 176.23 1x05 s ALA 46 N -3.29 3.75 0.03 8.56 0.00 -1.23 -4.67 121.76 124.90 1x05 s ALA 46 Ca 0.64 -2.77 -0.07 0.00 0.00 0.00 0.00 51.96 49.77 1x05 s ALA 46 Cb -0.14 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1x05 s ALA 46 CO 0.53 -2.19 0.12 0.71 0.00 0.00 0.00 175.76 174.94 1x05 s TYR 47 N 1.32 0.13 -0.23 0.00 2.02 0.95 -1.93 117.35 119.61 1x05 s TYR 47 Ca 0.10 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1x05 s TYR 47 Cb -0.22 -0.10 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 1x05 s TYR 47 CO -0.01 -0.35 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.37 1x05 s LEU 48 N -1.89 2.58 -0.02 -1.29 1.98 -0.96 -0.30 118.68 118.77 1x05 s LEU 48 Ca -0.08 -1.11 -0.01 0.00 -2.89 0.00 0.00 54.13 50.05 1x05 s LEU 48 Cb -0.03 -1.24 -0.04 0.00 0.66 0.00 0.00 46.19 45.54 1x05 s LEU 48 CO -0.03 -0.20 0.05 -1.00 -1.89 0.00 0.00 176.35 173.28 1x05 s HIS 49 N 1.36 3.22 -0.04 5.38 3.76 0.11 -0.68 115.29 128.40 1x05 s HIS 49 Ca -0.05 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1x05 s HIS 49 Cb -0.18 -1.74 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1x05 s HIS 49 CO -0.07 0.52 -0.12 1.52 -0.85 0.00 0.00 174.74 175.75 1x05 s TYR 50 N -1.10 1.29 0.29 1.40 1.13 -1.25 0.19 117.35 119.30 1x05 s TYR 50 Ca 0.20 -0.39 0.11 0.00 -1.41 0.00 0.00 57.07 55.58 1x05 s TYR 50 Cb -0.12 -0.92 -0.05 0.00 -1.10 0.00 0.00 41.96 39.77 1x05 s TYR 50 CO 0.10 -0.18 -0.17 0.71 -2.51 0.00 0.00 175.55 173.51 1x05 s TYR 51 N 0.35 2.34 0.25 -3.49 1.51 -0.31 -1.38 117.35 116.61 1x05 s TYR 51 Ca -0.07 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1x05 s TYR 51 Cb -0.12 -1.09 -0.09 0.00 -0.11 0.00 0.00 41.96 40.55 1x05 s TYR 51 CO 0.02 0.68 1.19 0.34 -1.11 0.00 0.00 175.55 176.67 1x05 s ASP 52 N -3.54 7.08 -0.05 2.29 -1.08 -1.26 -0.80 116.67 119.31 1x05 s ASP 52 Ca 0.31 2.35 -0.25 0.00 -0.52 0.00 0.00 52.55 54.44 1x05 s ASP 52 Cb -0.03 -2.62 -0.23 0.00 -1.46 0.00 0.00 42.92 38.58 1x05 s ASP 52 CO 0.16 -0.33 1.05 1.55 0.52 0.00 0.00 175.17 178.12 1x05 h PRO 53 N 4.35 0.14 -0.86 4.34 0.13 -1.93 -3.13 132.00 135.04 1x05 h PRO 53 Ca -0.46 -0.14 0.25 0.00 -0.87 0.00 0.00 66.00 64.78 1x05 h PRO 53 Cb 1.22 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1x05 h PRO 53 CO 0.70 0.86 0.76 0.00 -0.23 0.00 0.00 178.00 180.09 1x05 h ALA 54 N 0.29 2.70 0.00 -0.56 0.00 -1.92 -3.45 119.26 116.32 1x05 h ALA 54 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x05 h ALA 54 Cb 0.91 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x05 h ALA 54 CO 0.04 -1.20 0.00 0.41 0.00 0.00 0.00 179.25 178.49 1x05 n GLY 55 N -1.65 4.65 0.66 0.00 0.00 -1.18 -5.19 105.19 102.48 1x05 n GLY 55 Ca 0.18 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.94 -0.64 0.03 4.61 0.00 -1.26 -4.67 120.51 116.65 1x05 n ALA 56 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1x05 n ALA 56 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1x05 n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x05 n GLU 57 N -0.16 0.00 -2.61 0.00 1.02 -1.26 -5.02 120.64 112.61 1x05 n GLU 57 Ca 0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1x05 n GLU 57 Cb 0.10 -0.07 -0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1x05 s ASP 58 N -4.75 6.31 0.23 1.62 -4.77 -1.26 -5.04 116.67 109.01 1x05 s ASP 58 Ca 0.00 1.01 -0.30 0.00 -3.30 0.00 0.00 52.55 49.97 1x05 s ASP 58 Cb 0.00 -2.28 -0.09 0.00 -1.09 0.00 0.00 42.92 39.46 1x05 s ASP 58 CO 0.00 -0.57 1.10 -2.16 0.70 0.00 0.00 175.17 174.24 1x05 s PRO 59 N -4.60 4.63 0.41 2.11 0.04 -1.26 -4.80 135.00 131.53 1x05 s PRO 59 Ca 0.49 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.56 1x05 s PRO 59 Cb -0.10 -3.23 1.51 0.00 0.04 0.00 0.00 34.50 32.72 1x05 s PRO 59 CO 0.43 0.16 1.85 -0.07 0.04 0.00 0.00 177.00 179.42 1x05 h LEU 60 N 4.39 0.00 0.00 -3.56 3.38 -1.61 -3.47 115.31 114.44 1x05 h LEU 60 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1x05 h LEU 60 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x05 h LEU 60 CO 0.69 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1x05 n GLY 61 N -1.24 -0.51 3.53 0.83 0.00 -1.26 -5.04 105.19 101.50 1x05 n GLY 61 Ca -0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.80 -0.24 4.61 0.00 -1.26 -3.82 121.76 118.25 1x05 s ALA 62 Ca 0.00 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1x05 s ALA 62 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1x05 s ALA 62 CO 0.00 -0.36 -0.03 0.42 0.00 0.00 0.00 175.76 175.79 1x05 s ILE 63 N -1.10 3.20 0.27 0.00 1.01 0.14 -4.93 121.20 119.79 1x05 s ILE 63 Ca -0.09 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1x05 s ILE 63 Cb -0.00 -2.57 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 1x05 s ILE 63 CO 0.08 0.26 1.50 -2.28 0.00 0.00 0.00 174.94 174.50 1x05 s HIS 64 N 1.40 2.91 0.00 3.97 2.46 -1.26 -2.26 115.29 122.51 1x05 s HIS 64 Ca 0.03 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.49 1x05 s HIS 64 Cb -0.16 -3.92 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 1x05 s HIS 64 CO -0.03 -3.02 0.88 1.28 -2.47 0.00 0.00 174.74 171.38 1x05 n LEU 65 N 2.26 1.65 -0.05 8.88 4.77 -0.81 -4.43 117.00 129.27 1x05 n LEU 65 Ca 0.07 -1.65 0.24 0.00 -0.03 0.00 0.00 56.01 54.64 1x05 n LEU 65 Cb 0.39 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.07 1x05 n LEU 65 CO 0.62 0.41 1.22 0.08 -1.33 0.00 0.00 177.39 178.39 1x05 h ARG 66 N 0.00 0.00 0.00 3.23 0.11 -1.86 -3.06 114.38 112.80 1x05 h ARG 66 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1x05 h ARG 66 Cb 0.49 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.49 1x05 h ARG 66 CO 0.00 0.00 -0.15 0.41 0.10 0.00 0.00 179.97 180.33 1x05 n GLY 67 N -1.59 0.48 3.73 0.08 0.00 -1.26 -4.98 105.19 101.65 1x05 n GLY 67 Ca 0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.10 2.08 -0.04 0.00 1.01 0.53 -4.96 120.40 115.92 1x05 s VAL 69 Ca 0.64 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1x05 s VAL 69 Cb -0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1x05 s VAL 69 CO 0.56 0.19 -0.21 -0.69 0.00 0.00 0.00 175.10 174.95 1x05 s VAL 70 N -0.94 2.46 0.23 2.92 1.01 -1.26 -0.83 120.40 123.99 1x05 s VAL 70 Ca 0.12 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1x05 s VAL 70 Cb -0.10 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1x05 s VAL 70 CO 0.04 0.58 0.57 0.28 0.00 0.00 0.00 175.10 176.57 1x05 s THR 71 N -0.58 0.01 0.09 3.92 -1.32 -0.50 -4.98 115.64 112.27 1x05 s THR 71 Ca 0.08 -0.97 0.05 0.00 -1.21 0.00 0.00 61.69 59.64 1x05 s THR 71 Cb -0.11 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 1x05 s THR 71 CO 0.00 -0.05 0.00 -0.44 -2.21 0.00 0.00 174.62 171.92 1x05 s SER 72 N -2.92 5.06 0.97 8.08 0.01 -1.26 -2.21 113.70 121.44 1x05 s SER 72 Ca 0.13 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 1x05 s SER 72 Cb -0.02 -1.22 0.18 0.00 0.21 0.00 0.00 66.02 65.17 1x05 s SER 72 CO 0.02 0.18 1.21 0.68 0.41 0.00 0.00 173.24 175.74 1x05 s VAL 73 N -1.31 1.92 -0.42 3.43 -7.23 -1.23 -4.65 120.40 110.92 1x05 s VAL 73 Ca 0.26 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.47 1x05 s VAL 73 Cb -0.12 -2.83 0.49 0.00 0.56 0.00 0.00 36.38 34.48 1x05 s VAL 73 CO 0.18 0.00 1.57 -1.84 -0.31 0.00 0.00 175.10 174.71 1x05 n GLU 74 N -3.90 2.72 -1.22 4.82 0.28 -1.26 -5.00 120.64 117.08 1x05 n GLU 74 Ca 0.11 -3.54 -0.38 0.00 -0.16 0.00 0.00 57.16 53.19 1x05 n GLU 74 Cb 0.60 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x05 n SER 75 N -0.93 -3.22 -0.02 -1.84 2.88 -1.26 -4.93 113.62 104.30 1x05 n SER 75 Ca 0.48 0.69 -0.01 0.00 -1.33 0.00 0.00 58.87 58.69 1x05 n SER 75 Cb 0.94 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1x05 n SER 75 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1x05 h ASN 76 N 0.12 0.00 -4.80 -3.46 -0.73 -1.94 -3.51 115.58 101.26 1x05 h ASN 76 Ca -0.38 0.00 0.01 0.00 1.87 0.00 0.00 56.30 57.80 1x05 h ASN 76 Cb 1.39 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 39.86 1x05 h ASN 76 CO 0.42 0.25 -1.44 -0.24 -0.37 0.00 0.00 177.43 176.05 1x05 n SER 77 N -3.14 -1.10 0.00 1.15 2.88 -1.26 -5.08 113.62 107.08 1x05 n SER 77 Ca -0.02 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1x05 n SER 77 Cb 0.06 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.59 1x05 n SER 77 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x05 n ASN 78 N 1.58 0.00 0.00 -3.46 4.13 -1.26 -5.16 115.26 111.10 1x05 n ASN 78 Ca -0.37 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.89 1x05 n ASN 78 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 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 0.00 1.70 0.45 7.41 0.00 -1.26 -4.80 105.19 108.69 1x05 n GLY 79 Ca 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 1x05 n GLY 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x05 h ARG 80 N 0.00 -0.87 -5.26 1.61 9.65 -2.08 -3.39 114.38 114.05 1x05 h ARG 80 Ca 0.00 0.06 -0.49 0.00 -1.10 0.00 0.00 59.98 58.45 1x05 h ARG 80 Cb 0.00 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 1x05 h ARG 80 CO 0.00 -0.58 1.70 1.63 2.80 0.00 0.00 179.97 185.53 1x05 n LYS 81 N -5.18 0.41 -2.78 0.20 5.02 -1.26 -4.82 118.16 109.75 1x05 n LYS 81 Ca -0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 1x05 n LYS 81 Cb 0.41 -2.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 1x05 n LYS 81 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1x05 s SER 82 N 10.15 6.23 0.01 4.39 1.04 -1.26 -4.78 113.70 129.48 1x05 s SER 82 Ca 1.21 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 56.88 1x05 s SER 82 Cb -0.85 -2.46 -0.06 0.00 0.10 0.00 0.00 66.02 62.75 1x05 s SER 82 CO 0.41 -1.47 0.94 -0.08 0.98 0.00 0.00 173.24 174.02 1x05 h GLU 83 N 9.60 -0.37 -3.53 4.02 4.81 -1.92 -3.44 114.58 123.74 1x05 h GLU 83 Ca -0.28 0.03 -0.37 0.00 -0.13 0.00 0.00 59.36 58.61 1x05 h GLU 83 Cb 1.07 0.08 -0.37 0.00 0.63 0.00 0.00 28.75 30.16 1x05 h GLU 83 CO 1.18 -0.25 -0.75 -1.21 -0.73 0.00 0.00 179.01 177.25 1x05 s GLU 84 N -3.45 0.18 0.00 1.92 2.02 -1.26 -5.15 118.70 112.96 1x05 s GLU 84 Ca -0.06 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1x05 s GLU 84 Cb 0.01 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1x05 s GLU 84 CO 0.17 -0.25 0.00 0.39 0.02 0.00 0.00 175.26 175.59 1x05 n GLU 85 N 4.82 2.59 -2.70 1.61 1.02 -1.26 -4.68 120.64 122.04 1x05 n GLU 85 Ca -0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 1x05 n GLU 85 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.66 6.62 0.38 1.62 0.01 -1.26 -4.90 114.94 115.74 1x05 s ASN 86 Ca 0.00 0.42 0.04 0.00 -0.71 0.00 0.00 52.86 52.61 1x05 s ASN 86 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1x05 s ASN 86 CO 0.00 -1.11 0.12 -1.48 -1.51 0.00 0.00 177.10 173.12 1x05 s LEU 87 N 4.04 1.98 -0.13 0.60 2.34 -1.26 0.12 118.68 126.37 1x05 s LEU 87 Ca 0.43 -1.61 -0.29 0.00 0.06 0.00 0.00 54.13 52.72 1x05 s LEU 87 Cb -0.09 -0.11 0.08 0.00 -0.56 0.00 0.00 46.19 45.51 1x05 s LEU 87 CO 0.27 -0.87 0.74 0.72 -1.06 0.00 0.00 176.35 176.14 1x05 s PHE 88 N -3.28 -0.66 -0.21 3.48 -0.12 -0.96 -3.56 117.98 112.67 1x05 s PHE 88 Ca 0.27 1.30 -0.10 0.00 -0.05 0.00 0.00 56.93 58.35 1x05 s PHE 88 Cb 0.04 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1x05 s PHE 88 CO 0.15 -0.50 0.14 -2.00 -0.05 0.00 0.00 175.22 172.96 1x05 s GLU 89 N -0.69 4.16 -0.30 1.99 2.12 -0.94 -2.59 118.70 122.45 1x05 s GLU 89 Ca -0.06 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1x05 s GLU 89 Cb -0.02 -3.45 0.08 0.00 0.26 0.00 0.00 34.13 31.01 1x05 s GLU 89 CO 0.06 0.24 -0.01 0.42 -0.54 0.00 0.00 175.26 175.43 1x05 s ILE 90 N 0.54 2.07 0.28 -3.70 1.01 -0.87 -1.42 121.20 119.11 1x05 s ILE 90 Ca 0.08 -1.93 -0.26 0.00 0.00 0.00 0.00 60.65 58.54 1x05 s ILE 90 Cb -0.12 -2.39 -0.09 0.00 0.01 0.00 0.00 42.46 39.87 1x05 s ILE 90 CO -0.00 -0.36 0.90 -0.63 0.00 0.00 0.00 174.94 174.85 1x05 s ILE 91 N 1.07 4.23 0.55 2.92 1.01 -0.01 -3.04 121.20 127.93 1x05 s ILE 91 Ca 0.02 1.82 0.08 0.00 0.00 0.00 0.00 60.65 62.57 1x05 s ILE 91 Cb -0.19 -4.09 0.06 0.00 0.01 0.00 0.00 42.46 38.25 1x05 s ILE 91 CO -0.08 0.28 0.58 0.42 0.00 0.00 0.00 174.94 176.14 1x05 s THR 92 N -1.45 1.97 -0.13 2.92 -4.23 0.00 0.20 115.64 114.91 1x05 s THR 92 Ca 0.46 -1.25 0.26 0.00 -1.18 0.00 0.00 61.69 59.97 1x05 s THR 92 Cb -0.21 -2.22 0.27 0.00 1.34 0.00 0.00 72.50 71.68 1x05 s THR 92 CO 0.26 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.13 1x05 h ALA 93 N 0.51 1.00 -0.02 3.99 0.00 -1.77 0.48 119.26 123.44 1x05 h ALA 93 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x05 h ALA 93 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x05 h ALA 93 CO 0.50 0.00 -0.11 -3.47 0.00 0.00 0.00 179.25 176.16 1x05 n ASP 94 N -2.43 2.26 0.00 0.00 -0.08 -1.26 -4.91 116.55 110.13 1x05 n ASP 94 Ca -0.01 -1.68 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 1x05 n ASP 94 Cb 0.11 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x05 n GLU 95 N 0.61 0.00 -1.73 -0.67 1.02 0.17 -4.99 120.64 115.05 1x05 n GLU 95 Ca 0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1x05 n GLU 95 Cb 0.49 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1x05 n GLU 95 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x05 n VAL 96 N -2.00 0.27 -4.07 2.62 0.31 -1.26 -4.51 118.33 109.70 1x05 n VAL 96 Ca 0.00 -0.07 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 1x05 n VAL 96 Cb 0.00 -2.00 -0.07 0.00 -0.91 0.00 0.00 33.84 30.87 1x05 n VAL 96 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1x05 s HIS 97 N 0.86 3.26 -0.07 3.52 3.76 -1.26 -0.82 115.29 124.54 1x05 s HIS 97 Ca 0.72 0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 55.75 1x05 s HIS 97 Cb -0.50 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 31.55 1x05 s HIS 97 CO 0.36 0.54 0.14 0.71 -0.85 0.00 0.00 174.74 175.65 1x05 s TYR 98 N -1.30 -0.15 -0.42 1.40 2.02 -1.17 -4.94 117.35 112.79 1x05 s TYR 98 Ca 0.27 0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 57.36 1x05 s TYR 98 Cb -0.12 -0.22 0.05 0.00 -0.40 0.00 0.00 41.96 41.26 1x05 s TYR 98 CO 0.18 -0.23 0.30 -0.06 -1.57 0.00 0.00 175.55 174.17 1x05 s PHE 99 N 1.91 3.26 -0.13 2.71 0.08 -1.26 -2.05 117.98 122.49 1x05 s PHE 99 Ca -0.01 -0.92 -0.02 0.00 0.12 0.00 0.00 56.93 56.10 1x05 s PHE 99 Cb -0.12 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 1x05 s PHE 99 CO -0.05 -0.70 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.79 1x05 s LEU 100 N 1.60 3.13 -0.11 -0.37 2.01 -1.07 -2.45 118.68 121.42 1x05 s LEU 100 Ca 0.04 -0.14 -0.11 0.00 0.01 0.00 0.00 54.13 53.92 1x05 s LEU 100 Cb -0.21 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.21 1x05 s LEU 100 CO 0.07 0.22 0.26 -1.58 1.01 0.00 0.00 176.35 176.32 1x05 s GLN 101 N 0.07 3.90 0.15 1.70 0.74 -1.05 -2.27 119.66 122.90 1x05 s GLN 101 Ca -0.02 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.50 1x05 s GLN 101 Cb -0.14 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1x05 s GLN 101 CO 0.03 0.53 0.18 0.00 -0.55 0.00 0.00 175.29 175.49 1x05 s ALA 102 N -0.42 3.71 -0.01 1.58 0.00 0.32 -3.43 121.76 123.51 1x05 s ALA 102 Ca 0.17 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 1x05 s ALA 102 Cb -0.13 -1.52 -0.13 0.00 0.00 0.00 0.00 23.12 21.34 1x05 s ALA 102 CO 0.06 0.54 0.95 0.00 0.00 0.00 0.00 175.76 177.31 1x05 h ALA 103 N 2.40 -0.57 -2.01 0.00 0.00 -1.90 -3.37 119.26 113.80 1x05 h ALA 103 Ca -0.48 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 53.80 1x05 h ALA 103 Cb 1.19 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1x05 h ALA 103 CO 0.65 -0.59 -0.41 0.95 0.00 0.00 0.00 179.25 179.86 1x05 s THR 104 N -4.05 4.57 -1.37 0.00 -4.23 -1.26 -4.90 115.64 104.41 1x05 s THR 104 Ca -0.12 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.55 1x05 s THR 104 Cb 0.01 -3.58 0.36 0.00 1.34 0.00 0.00 72.50 70.63 1x05 s THR 104 CO 0.41 -0.25 1.73 -0.81 -0.54 0.00 0.00 174.62 175.16 1x05 n PRO 105 N -1.47 0.27 -0.04 3.99 -0.04 -1.26 -2.68 135.00 133.76 1x05 n PRO 105 Ca -0.05 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1x05 n PRO 105 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1x05 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x05 n LYS 106 N -1.32 0.70 -0.08 0.54 4.81 -1.26 -4.07 118.16 117.48 1x05 n LYS 106 Ca 0.10 0.21 -0.10 0.00 -0.87 0.00 0.00 58.31 57.65 1x05 n LYS 106 Cb 0.19 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 1x05 n LYS 106 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x05 h GLU 107 N 0.03 0.38 -0.81 1.64 4.57 -1.91 0.64 114.58 119.12 1x05 h GLU 107 Ca -0.44 -0.05 0.17 0.00 -1.18 0.00 0.00 59.36 57.86 1x05 h GLU 107 Cb 2.03 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 30.44 1x05 h GLU 107 CO 0.04 0.35 0.32 -0.09 -1.18 0.00 0.00 179.01 178.45 1x05 h ARG 108 N 0.32 0.41 0.06 1.92 1.12 -1.72 0.45 114.38 116.95 1x05 h ARG 108 Ca 0.10 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1x05 h ARG 108 Cb 0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1x05 h ARG 108 CO -0.01 0.27 -0.03 1.15 -3.11 0.00 0.00 179.97 178.24 1x05 h THR 109 N 0.42 1.23 0.03 0.20 2.02 -1.61 -2.93 112.91 112.28 1x05 h THR 109 Ca 0.46 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1x05 h THR 109 Cb 0.77 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 1x05 h THR 109 CO -0.45 0.27 -0.47 -0.33 0.37 0.00 0.00 175.52 174.91 1x05 h GLU 110 N -0.60 -0.62 -0.84 6.66 5.08 0.13 -1.17 114.58 123.23 1x05 h GLU 110 Ca -0.01 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1x05 h GLU 110 Cb 0.51 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 1x05 h GLU 110 CO 0.01 -0.41 -0.53 -1.49 -1.00 0.00 0.00 179.01 175.59 1x05 h TRP 111 N -0.64 -1.66 -0.20 4.33 4.06 -0.22 1.61 115.95 123.23 1x05 h TRP 111 Ca 0.03 0.11 0.02 0.00 2.06 0.00 0.00 58.89 61.11 1x05 h TRP 111 Cb 0.70 0.84 -0.03 0.00 -1.00 0.00 0.00 29.16 29.67 1x05 h TRP 111 CO -0.45 -0.40 -0.17 0.82 -3.56 0.00 0.00 178.44 174.67 1x05 h ILE 112 N -0.10 0.00 -0.21 1.49 2.04 -1.15 1.81 117.51 121.39 1x05 h ILE 112 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 1x05 h ILE 112 Cb 0.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1x05 h ILE 112 CO -0.85 0.00 0.32 0.11 0.00 0.00 0.00 178.15 177.73 1x05 h LYS 113 N -0.07 0.00 0.30 2.37 1.57 0.14 0.21 116.57 121.09 1x05 h LYS 113 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1x05 h LYS 113 CO -0.22 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.51 1x05 h ALA 114 N 1.55 -0.40 -0.95 3.86 0.00 1.30 -1.17 119.26 123.45 1x05 h ALA 114 Ca 0.10 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1x05 h ALA 114 Cb 0.74 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1x05 h ALA 114 CO -0.00 -0.40 0.60 0.82 0.00 0.00 0.00 179.25 180.28 1x05 h ILE 115 N -1.06 0.94 0.68 0.00 2.04 0.33 -2.15 117.51 118.29 1x05 h ILE 115 Ca -0.04 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1x05 h ILE 115 Cb 0.40 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1x05 h ILE 115 CO 0.07 0.17 -0.33 1.56 0.00 0.00 0.00 178.15 179.62 1x05 h GLN 116 N 0.93 -0.88 -0.99 2.37 4.20 -0.69 0.31 115.11 120.36 1x05 h GLN 116 Ca 0.45 0.06 0.35 0.00 0.06 0.00 0.00 58.65 59.58 1x05 h GLN 116 Cb 0.46 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.26 1x05 h GLN 116 CO -0.21 -0.57 0.35 0.00 -0.67 0.00 0.00 178.83 177.73 1x05 h MET 117 N -0.98 0.04 0.00 1.46 -0.00 -0.55 0.86 114.93 115.75 1x05 h MET 117 Ca -0.09 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1x05 h MET 117 Cb 0.72 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1x05 h MET 117 CO 0.15 0.02 -0.11 0.00 -0.00 0.00 0.00 176.91 176.98 1x05 h ALA 118 N 1.97 0.01 -1.00 -3.00 0.00 -1.19 -3.24 119.26 112.82 1x05 h ALA 118 Ca 0.74 -0.43 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1x05 h ALA 118 Cb 1.81 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.50 1x05 h ALA 118 CO -0.81 -0.02 0.62 0.66 0.00 0.00 0.00 179.25 179.70 1x05 h SER 119 N -0.68 0.66 0.00 0.00 4.64 0.38 1.37 113.55 119.93 1x05 h SER 119 Ca -0.01 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1x05 h SER 119 Cb 0.90 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1x05 h SER 119 CO 0.02 0.19 0.03 0.03 -0.87 0.00 0.00 176.83 176.22 1x05 h ARG 120 N 0.61 0.00 0.00 4.77 3.08 0.43 -3.43 114.38 119.84 1x05 h ARG 120 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 1x05 h ARG 120 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1x05 h ARG 120 CO -0.37 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.78 1x05 n THR 121 N -2.29 0.00 -2.08 2.04 -2.24 0.47 -4.38 114.28 105.80 1x05 n THR 121 Ca -0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1x05 n THR 121 Cb 0.06 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x05 n GLY 122 N 0.00 1.72 2.69 3.38 0.00 -1.26 -4.95 105.19 106.78 1x05 n GLY 122 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1x05 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x05 s LYS 123 N -0.68 1.50 -0.28 1.61 2.20 -1.26 -5.06 119.74 117.76 1x05 s LYS 123 Ca 0.23 -2.36 -0.23 0.00 -0.36 0.00 0.00 55.97 53.25 1x05 s LYS 123 Cb 0.24 -2.42 0.11 0.00 -1.51 0.00 0.00 37.83 34.25 1x05 s LYS 123 CO -0.08 -1.24 0.92 -1.54 -0.36 0.00 0.00 175.35 173.05 1x05 s SER 124 N -0.15 -0.58 0.37 1.43 1.04 -1.26 -5.15 113.70 109.41 1x05 s SER 124 Ca 0.22 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1x05 s SER 124 Cb -0.14 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1x05 s SER 124 CO -0.08 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1x05 n GLY 125 N 2.71 -3.43 0.14 7.32 0.00 -1.26 -4.84 105.19 105.83 1x05 n GLY 125 Ca -0.14 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1x05 n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x05 h PRO 126 N -0.22 -0.22 -5.48 1.61 0.13 -2.04 -3.41 132.00 122.37 1x05 h PRO 126 Ca -0.04 0.02 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 1x05 h PRO 126 Cb 0.68 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1x05 h PRO 126 CO 0.02 0.09 0.97 0.43 -0.23 0.00 0.00 178.00 179.28 1x05 n SER 127 N -4.92 2.03 -3.69 1.44 7.64 -1.26 -4.85 113.62 110.01 1x05 n SER 127 Ca -0.06 -0.91 -0.10 0.00 1.01 0.00 0.00 58.87 58.81 1x05 n SER 127 Cb 0.21 -1.60 -0.10 0.00 -1.01 0.00 0.00 64.21 61.71 1x05 n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x05 s SER 128 N 11.53 -0.58 0.00 6.43 0.15 -1.26 -5.10 113.70 124.87 1x05 s SER 128 Ca 0.97 0.99 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1x05 s SER 128 Cb -0.18 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1x05 s SER 128 CO 0.19 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.05