#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 1.91 -1.66 1.61 3.41 -1.26 -5.11 113.62 112.52 1x05 n SER 2 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1x05 n SER 2 Cb 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1x05 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x05 n SER 3 N -4.45 -8.81 0.00 4.04 7.64 -1.26 -5.09 113.62 105.70 1x05 n SER 3 Ca -0.21 1.26 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1x05 n SER 3 Cb 0.55 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 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 -0.38 4.44 3.08 0.23 0.00 -1.26 -5.14 105.19 106.16 1x05 n GLY 4 Ca 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1x05 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x05 s SER 5 N 0.00 -0.08 0.36 1.61 0.15 -1.26 -5.16 113.70 109.32 1x05 s SER 5 Ca 0.00 0.62 0.09 0.00 0.70 0.00 0.00 55.95 57.36 1x05 s SER 5 Cb 0.00 0.61 -0.07 0.00 -1.71 0.00 0.00 66.02 64.85 1x05 s SER 5 CO 0.00 -0.20 -0.06 -0.55 1.20 0.00 0.00 173.24 173.63 1x05 s SER 6 N 1.76 3.73 -0.47 5.45 0.15 -1.26 -5.09 113.70 117.98 1x05 s SER 6 Ca -0.05 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.43 1x05 s SER 6 Cb -0.11 -0.36 0.31 0.00 -1.71 0.00 0.00 66.02 64.15 1x05 s SER 6 CO -0.09 -0.29 0.73 0.61 1.20 0.00 0.00 173.24 175.40 1x05 n GLY 7 N -0.84 4.07 3.17 9.45 0.00 -1.26 -5.08 105.19 114.70 1x05 n GLY 7 Ca -0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.58 0.47 0.54 1.61 0.11 -1.26 -5.12 120.40 114.17 1x05 s VAL 8 Ca 0.41 -1.92 -0.18 0.00 -2.93 0.00 0.00 61.98 57.36 1x05 s VAL 8 Cb 0.25 -1.85 -0.13 0.00 -1.53 0.00 0.00 36.38 33.13 1x05 s VAL 8 CO -0.09 -0.70 0.09 -0.38 -3.33 0.00 0.00 175.10 170.69 1x05 n ILE 9 N -0.08 0.79 -3.91 7.04 2.08 -1.26 -4.93 119.36 119.09 1x05 n ILE 9 Ca -0.09 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.37 1x05 n ILE 9 Cb 0.62 -0.24 -0.14 0.00 -0.75 0.00 0.00 39.64 39.13 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 3.54 3.22 0.00 1.39 1.98 -1.26 -5.10 118.68 122.45 1x05 s LEU 10 Ca 0.61 -0.73 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 1x05 s LEU 10 Cb -0.47 -1.72 0.00 0.00 0.66 0.00 0.00 46.19 44.66 1x05 s LEU 10 CO 0.62 -0.11 0.00 0.29 -1.89 0.00 0.00 176.35 175.26 1x05 n LYS 11 N 4.73 -0.57 -0.09 1.98 5.02 -1.26 -4.92 118.16 123.07 1x05 n LYS 11 Ca -0.17 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 1x05 n LYS 11 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 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 -1.24 0.38 0.31 1.97 -0.58 -1.26 -3.92 120.64 116.30 1x05 n GLU 12 Ca 0.00 0.14 0.19 0.00 -0.42 0.00 0.00 57.16 57.07 1x05 n GLU 12 Cb 0.00 -1.18 0.97 0.00 -0.57 0.00 0.00 31.44 30.66 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 -0.43 0.00 0.00 3.49 9.09 -2.00 -0.57 114.58 124.16 1x05 h GLU 13 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1x05 h GLU 13 Cb 1.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.54 1x05 h GLU 13 CO -0.20 0.02 -1.11 1.19 0.05 0.00 0.00 179.01 178.96 1x05 n PHE 14 N -3.20 0.46 -0.32 2.06 3.01 -1.26 -4.33 117.46 113.87 1x05 n PHE 14 Ca -0.02 0.13 0.04 0.00 1.01 0.00 0.00 57.45 58.62 1x05 n PHE 14 Cb 0.17 -0.61 0.11 0.00 -0.01 0.00 0.00 39.48 39.14 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1x05 n ARG 15 N -2.21 -0.10 0.00 -1.08 5.12 -0.22 -4.35 116.66 113.82 1x05 n ARG 15 Ca 0.01 1.37 0.00 0.00 -1.93 0.00 0.00 57.85 57.30 1x05 n ARG 15 Cb 0.49 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -1.53 -3.35 3.37 -0.13 0.00 -1.23 -4.94 105.19 97.38 1x05 n GLY 16 Ca 0.13 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.01 1.32 0.57 1.61 0.11 -1.22 -4.92 120.40 117.85 1x05 s VAL 17 Ca 0.00 -2.08 -0.04 0.00 -2.93 0.00 0.00 61.98 56.93 1x05 s VAL 17 Cb 0.00 -2.36 0.01 0.00 -1.53 0.00 0.00 36.38 32.50 1x05 s VAL 17 CO 0.00 -0.34 0.86 -0.63 -3.33 0.00 0.00 175.10 171.65 1x05 s ILE 18 N -3.23 3.61 0.00 7.04 1.01 -1.26 -2.02 121.20 126.34 1x05 s ILE 18 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1x05 s ILE 18 Cb 0.05 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1x05 s ILE 18 CO 0.10 -0.40 0.00 2.30 0.00 0.00 0.00 174.94 176.94 1x05 n ILE 19 N -2.50 0.00 -4.04 2.92 -0.00 -0.86 -4.83 119.36 110.06 1x05 n ILE 19 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.67 1x05 n ILE 19 Cb 0.58 -0.28 -0.12 0.00 -0.00 0.00 0.00 39.64 39.82 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 -1.44 0.42 -0.07 6.28 2.20 -1.26 -5.03 119.74 120.84 1x05 s LYS 20 Ca 0.00 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 1x05 s LYS 20 Cb 0.00 -0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1x05 s LYS 20 CO 0.00 0.03 0.48 -0.65 -0.36 0.00 0.00 175.35 174.85 1x05 s GLN 21 N -1.23 0.77 0.00 4.03 -0.21 -1.26 -0.77 119.66 120.99 1x05 s GLN 21 Ca -0.09 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.47 1x05 s GLN 21 Cb -0.08 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.29 1x05 s GLN 21 CO -0.00 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 1x05 n GLY 22 N 1.57 -1.15 3.53 3.09 0.00 -1.11 -5.04 105.19 106.07 1x05 n GLY 22 Ca -0.19 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.80 1.61 -0.45 0.00 1.43 0.92 -4.85 118.68 116.53 1x05 s LEU 24 Ca 0.12 -1.54 -0.06 0.00 -1.03 0.00 0.00 54.13 51.62 1x05 s LEU 24 Cb -0.11 0.24 0.12 0.00 0.03 0.00 0.00 46.19 46.47 1x05 s LEU 24 CO 0.01 -0.88 0.28 -0.76 0.23 0.00 0.00 176.35 175.23 1x05 s LEU 25 N -3.34 5.46 -0.25 1.79 2.01 -1.19 -0.99 118.68 122.16 1x05 s LEU 25 Ca 0.37 -2.04 -0.23 0.00 0.01 0.00 0.00 54.13 52.24 1x05 s LEU 25 Cb 0.05 -1.91 -0.01 0.00 0.01 0.00 0.00 46.19 44.33 1x05 s LEU 25 CO 0.17 -0.60 0.77 -0.75 1.01 0.00 0.00 176.35 176.95 1x05 s LYS 26 N 1.16 4.14 -0.17 1.70 2.20 -1.22 -2.56 119.74 124.99 1x05 s LYS 26 Ca 0.08 0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 56.21 1x05 s LYS 26 Cb -0.24 -3.66 -0.23 0.00 -1.51 0.00 0.00 37.83 32.19 1x05 s LYS 26 CO -0.03 -0.51 0.54 1.96 -0.36 0.00 0.00 175.35 176.96 1x05 h GLN 27 N 7.79 0.00 0.00 4.03 1.08 -1.76 -3.36 115.11 122.90 1x05 h GLN 27 Ca -0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1x05 h GLN 27 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1x05 h GLN 27 CO 0.85 1.00 0.00 0.41 -0.95 0.00 0.00 178.83 180.14 1x05 n GLY 28 N 1.54 -1.43 0.11 3.46 0.00 -1.26 -3.90 105.19 103.71 1x05 n GLY 28 Ca -0.19 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 1x05 n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x05 n HIS 29 N 0.00 0.12 -0.25 1.61 -0.00 -1.26 -4.50 115.22 110.94 1x05 n HIS 29 Ca 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 57.72 57.80 1x05 n HIS 29 Cb 0.00 -0.76 0.16 0.00 -0.00 0.00 0.00 29.99 29.39 1x05 n HIS 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1x05 h ARG 30 N -1.00 0.51 -4.07 1.57 1.12 -2.00 -3.48 114.38 107.03 1x05 h ARG 30 Ca -0.32 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1x05 h ARG 30 Cb 1.25 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 1x05 h ARG 30 CO -0.19 0.34 -0.77 -2.13 -3.11 0.00 0.00 179.97 174.11 1x05 n ARG 31 N -4.93 -4.11 0.03 0.20 0.63 -1.25 -5.05 116.66 102.18 1x05 n ARG 31 Ca 0.12 3.08 0.00 0.00 -0.92 0.00 0.00 57.85 60.14 1x05 n ARG 31 Cb 0.34 -3.77 0.00 0.00 0.45 0.00 0.00 32.46 29.48 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x05 n LYS 32 N 1.44 0.00 -3.64 -0.14 3.00 -1.26 -5.11 118.16 112.45 1x05 n LYS 32 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1x05 n LYS 32 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 35.03 34.64 1x05 n LYS 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1x05 s ASN 33 N -5.23 -0.57 -0.66 3.14 3.84 -1.26 -5.08 114.94 109.12 1x05 s ASN 33 Ca 0.00 0.99 -0.26 0.00 0.21 0.00 0.00 52.86 53.79 1x05 s ASN 33 Cb 0.00 1.13 -0.12 0.00 -0.55 0.00 0.00 41.25 41.70 1x05 s ASN 33 CO 0.00 -0.16 2.46 0.79 -2.79 0.00 0.00 177.10 177.40 1x05 n TRP 34 N 3.14 1.16 -2.70 0.43 7.02 -1.26 -4.89 117.44 120.34 1x05 n TRP 34 Ca -0.16 0.14 -0.21 0.00 -1.02 0.00 0.00 57.50 56.25 1x05 n TRP 34 Cb 0.57 -2.49 0.05 0.00 -2.42 0.00 0.00 31.31 27.02 1x05 n TRP 34 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1x05 s LYS 35 N 8.47 2.43 -0.10 -0.99 1.02 -1.26 -5.00 119.74 124.31 1x05 s LYS 35 Ca 1.06 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 56.09 1x05 s LYS 35 Cb -0.40 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1x05 s LYS 35 CO 0.29 -0.78 -0.07 0.08 -0.92 0.00 0.00 175.35 173.95 1x05 s VAL 36 N -2.76 3.68 0.05 3.17 1.01 -1.26 -3.39 120.40 120.90 1x05 s VAL 36 Ca 0.59 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1x05 s VAL 36 Cb -0.09 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1x05 s VAL 36 CO 0.39 0.56 0.41 -0.13 0.00 0.00 0.00 175.10 176.33 1x05 s ARG 37 N -0.38 0.94 0.29 2.72 0.52 -0.16 -4.55 118.95 118.33 1x05 s ARG 37 Ca 0.05 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.70 1x05 s ARG 37 Cb -0.12 0.42 -0.09 0.00 0.52 0.00 0.00 34.95 35.68 1x05 s ARG 37 CO 0.02 -0.33 0.75 0.21 0.02 0.00 0.00 175.30 175.98 1x05 s LYS 38 N -2.62 4.12 -0.13 3.54 2.20 0.19 -0.05 119.74 126.99 1x05 s LYS 38 Ca -0.04 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1x05 s LYS 38 Cb -0.01 -2.58 0.05 0.00 -1.51 0.00 0.00 37.83 33.78 1x05 s LYS 38 CO -0.03 0.23 0.10 -0.06 -0.36 0.00 0.00 175.35 175.23 1x05 s PHE 39 N -1.82 0.08 -0.12 4.03 0.08 0.29 -2.20 117.98 118.32 1x05 s PHE 39 Ca 0.51 -0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 1x05 s PHE 39 Cb -0.13 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 1x05 s PHE 39 CO 0.19 -0.40 -0.02 0.42 -0.10 0.00 0.00 175.22 175.30 1x05 s ILE 40 N 2.18 4.09 -0.02 0.64 1.01 0.38 -2.75 121.20 126.73 1x05 s ILE 40 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1x05 s ILE 40 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1x05 s ILE 40 CO -0.07 0.55 -0.00 -0.22 0.00 0.00 0.00 174.94 175.19 1x05 s LEU 41 N -0.26 3.50 -0.14 2.97 2.96 0.05 -0.99 118.68 126.77 1x05 s LEU 41 Ca 0.05 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1x05 s LEU 41 Cb -0.12 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.68 1x05 s LEU 41 CO 0.02 0.30 0.29 0.00 -1.32 0.00 0.00 176.35 175.65 1x05 s ARG 42 N -1.38 0.19 0.00 1.98 1.70 -0.67 -2.02 118.95 118.74 1x05 s ARG 42 Ca 0.18 0.78 -0.03 0.00 -0.47 0.00 0.00 55.73 56.19 1x05 s ARG 42 Cb -0.11 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 1x05 s ARG 42 CO 0.08 -0.27 0.19 -1.83 -1.08 0.00 0.00 175.30 172.40 1x05 s GLU 43 N 2.32 3.45 -0.54 3.89 -1.05 -0.86 -0.15 118.70 125.76 1x05 s GLU 43 Ca -0.01 -0.32 -0.24 0.00 -0.15 0.00 0.00 54.97 54.25 1x05 s GLU 43 Cb -0.12 -3.09 0.03 0.00 -0.44 0.00 0.00 34.13 30.52 1x05 s GLU 43 CO -0.09 0.67 0.64 -3.47 0.95 0.00 0.00 175.26 173.96 1x05 n ASP 44 N 0.86 -6.13 -4.80 0.83 2.03 -1.26 -3.44 116.55 104.64 1x05 n ASP 44 Ca -0.10 -0.14 -0.29 0.00 0.52 0.00 0.00 54.79 54.78 1x05 n ASP 44 Cb 0.52 -2.80 0.11 0.00 -0.72 0.00 0.00 41.12 38.23 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 -2.98 1.69 -0.50 -0.67 0.04 -1.26 -3.55 135.00 127.77 1x05 s PRO 45 Ca 0.26 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1x05 s PRO 45 Cb -0.04 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.69 1x05 s PRO 45 CO 0.85 -1.86 0.50 0.00 0.04 0.00 0.00 177.00 176.53 1x05 s ALA 46 N -3.21 3.50 0.21 8.56 0.00 -1.23 -4.69 121.76 124.91 1x05 s ALA 46 Ca 0.62 -2.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 1x05 s ALA 46 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1x05 s ALA 46 CO 0.54 -1.90 0.36 0.71 0.00 0.00 0.00 175.76 175.47 1x05 s TYR 47 N 2.03 0.51 -0.17 0.00 2.02 0.79 -2.70 117.35 119.83 1x05 s TYR 47 Ca 0.08 -0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 55.89 1x05 s TYR 47 Cb -0.23 -0.01 0.06 0.00 -0.40 0.00 0.00 41.96 41.37 1x05 s TYR 47 CO 0.08 -0.85 0.11 -1.17 -1.57 0.00 0.00 175.55 172.15 1x05 s LEU 48 N -3.03 0.27 0.06 -1.29 1.98 -0.82 -1.67 118.68 114.18 1x05 s LEU 48 Ca 0.24 -0.51 0.03 0.00 -2.89 0.00 0.00 54.13 51.00 1x05 s LEU 48 Cb 0.02 -0.15 -0.04 0.00 0.66 0.00 0.00 46.19 46.68 1x05 s LEU 48 CO 0.07 -0.34 0.04 -1.00 -1.89 0.00 0.00 176.35 173.23 1x05 s HIS 49 N 2.17 3.12 -0.03 5.38 3.76 -0.16 0.28 115.29 129.80 1x05 s HIS 49 Ca 0.03 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1x05 s HIS 49 Cb -0.16 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1x05 s HIS 49 CO -0.09 0.50 -0.03 1.52 -0.85 0.00 0.00 174.74 175.79 1x05 s TYR 50 N -1.30 0.58 0.27 1.40 1.13 -1.24 0.14 117.35 118.33 1x05 s TYR 50 Ca 0.26 -0.13 0.11 0.00 -1.41 0.00 0.00 57.07 55.91 1x05 s TYR 50 Cb -0.12 -0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 1x05 s TYR 50 CO 0.18 -0.14 -0.12 0.71 -2.51 0.00 0.00 175.55 173.67 1x05 s TYR 51 N 0.77 2.46 0.31 -3.49 1.51 -0.93 -1.91 117.35 116.07 1x05 s TYR 51 Ca -0.09 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1x05 s TYR 51 Cb -0.12 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.55 1x05 s TYR 51 CO -0.00 0.68 1.38 0.34 -1.11 0.00 0.00 175.55 176.83 1x05 s ASP 52 N -3.57 6.67 0.03 2.29 -1.08 -1.26 -0.64 116.67 119.11 1x05 s ASP 52 Ca 0.30 2.74 -0.18 0.00 -0.52 0.00 0.00 52.55 54.89 1x05 s ASP 52 Cb -0.06 -2.64 -0.21 0.00 -1.46 0.00 0.00 42.92 38.55 1x05 s ASP 52 CO 0.17 -0.64 1.16 1.55 0.52 0.00 0.00 175.17 177.93 1x05 h PRO 53 N 3.86 0.51 -0.98 4.34 0.13 -1.92 -3.19 132.00 134.75 1x05 h PRO 53 Ca -0.48 -0.49 0.20 0.00 -0.87 0.00 0.00 66.00 64.35 1x05 h PRO 53 Cb 1.23 0.13 -0.09 0.00 0.13 0.00 0.00 31.00 32.39 1x05 h PRO 53 CO 0.69 1.13 0.62 0.00 -0.23 0.00 0.00 178.00 180.21 1x05 h ALA 54 N 0.39 1.88 0.00 -0.56 0.00 -1.92 -3.45 119.26 115.60 1x05 h ALA 54 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x05 h ALA 54 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x05 h ALA 54 CO 0.13 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1x05 n GLY 55 N -1.40 4.36 3.86 0.00 0.00 -1.21 -5.20 105.19 105.61 1x05 n GLY 55 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 56 N -0.81 -1.93 0.11 4.61 0.00 -1.26 -4.76 121.76 117.73 1x05 s ALA 56 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1x05 s ALA 56 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1x05 s ALA 56 CO 0.00 -1.09 0.00 -1.91 0.00 0.00 0.00 175.76 172.76 1x05 n GLU 57 N -0.70 0.00 -3.20 0.00 2.13 -1.26 -4.97 120.64 112.63 1x05 n GLU 57 Ca -0.02 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.49 1x05 n GLU 57 Cb 0.60 -0.45 -0.04 0.00 0.27 0.00 0.00 31.44 31.81 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1x05 s ASP 58 N -5.80 6.59 0.09 4.31 1.47 -1.26 -5.04 116.67 117.03 1x05 s ASP 58 Ca 0.00 1.00 -0.30 0.00 1.18 0.00 0.00 52.55 54.42 1x05 s ASP 58 Cb 0.00 -2.26 -0.06 0.00 -0.34 0.00 0.00 42.92 40.26 1x05 s ASP 58 CO 0.00 -0.21 1.15 -2.16 0.68 0.00 0.00 175.17 174.63 1x05 s PRO 59 N -3.27 4.49 0.53 2.11 0.04 -1.26 -4.79 135.00 132.85 1x05 s PRO 59 Ca 0.49 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.55 1x05 s PRO 59 Cb -0.11 -3.33 1.45 0.00 0.04 0.00 0.00 34.50 32.55 1x05 s PRO 59 CO 0.25 -0.14 1.93 -0.07 0.04 0.00 0.00 177.00 179.01 1x05 h LEU 60 N 6.28 0.00 0.00 -3.56 3.38 -1.76 -3.46 115.31 116.19 1x05 h LEU 60 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 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 0.78 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1x05 n GLY 61 N -1.68 -0.70 3.54 0.83 0.00 -1.26 -5.07 105.19 100.85 1x05 n GLY 61 Ca 0.15 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.85 -0.18 4.61 0.00 -1.26 -3.71 121.76 118.37 1x05 s ALA 62 Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 1x05 s ALA 62 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1x05 s ALA 62 CO 0.00 -0.41 -0.09 0.42 0.00 0.00 0.00 175.76 175.68 1x05 s ILE 63 N -1.55 3.14 0.20 0.00 1.01 0.14 -4.93 121.20 119.20 1x05 s ILE 63 Ca -0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1x05 s ILE 63 Cb -0.00 -2.38 -0.09 0.00 0.01 0.00 0.00 42.46 40.00 1x05 s ILE 63 CO 0.02 0.48 1.34 -2.28 0.00 0.00 0.00 174.94 174.49 1x05 s HIS 64 N 1.01 3.22 -0.06 3.97 2.46 -1.26 -1.94 115.29 122.69 1x05 s HIS 64 Ca -0.01 1.16 0.08 0.00 0.47 0.00 0.00 55.06 56.77 1x05 s HIS 64 Cb -0.15 -3.64 0.12 0.00 -0.13 0.00 0.00 32.58 28.79 1x05 s HIS 64 CO -0.01 -2.05 1.04 1.28 -2.47 0.00 0.00 174.74 172.54 1x05 n LEU 65 N 2.74 1.98 0.05 8.88 4.77 -1.10 -4.37 117.00 129.96 1x05 n LEU 65 Ca 0.07 -2.34 0.19 0.00 -0.03 0.00 0.00 56.01 53.90 1x05 n LEU 65 Cb 0.42 -0.18 0.70 0.00 -2.33 0.00 0.00 43.42 42.03 1x05 n LEU 65 CO 0.58 0.56 1.17 0.08 -1.33 0.00 0.00 177.39 178.45 1x05 h ARG 66 N 0.00 0.00 0.00 3.23 0.11 -1.87 -3.26 114.38 112.60 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 0.77 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.76 1x05 h ARG 66 CO 0.00 0.00 -0.23 0.41 0.10 0.00 0.00 179.97 180.25 1x05 n GLY 67 N -1.60 0.68 3.60 0.08 0.00 -1.26 -4.98 105.19 101.71 1x05 n GLY 67 Ca 0.08 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.79 1.87 -0.02 0.00 1.01 0.46 -4.96 120.40 115.97 1x05 s VAL 69 Ca 0.67 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1x05 s VAL 69 Cb -0.21 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1x05 s VAL 69 CO 0.60 -0.34 -0.25 -0.69 0.00 0.00 0.00 175.10 174.42 1x05 s VAL 70 N -2.15 2.01 0.34 2.92 1.01 -1.26 -1.48 120.40 121.78 1x05 s VAL 70 Ca 0.17 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1x05 s VAL 70 Cb -0.05 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1x05 s VAL 70 CO 0.07 0.57 0.72 0.28 0.00 0.00 0.00 175.10 176.74 1x05 s THR 71 N -0.55 0.00 0.23 3.92 -1.32 -0.00 -4.96 115.64 112.95 1x05 s THR 71 Ca 0.09 -1.07 0.09 0.00 -1.21 0.00 0.00 61.69 59.58 1x05 s THR 71 Cb -0.10 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1x05 s THR 71 CO -0.01 0.00 -0.02 -0.44 -2.21 0.00 0.00 174.62 171.95 1x05 s SER 72 N -3.02 4.56 0.67 8.08 0.01 -1.26 -1.89 113.70 120.84 1x05 s SER 72 Ca 0.15 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1x05 s SER 72 Cb -0.05 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1x05 s SER 72 CO 0.10 0.04 0.00 1.33 0.41 0.00 0.00 173.24 175.12 1x05 n VAL 73 N -0.54 0.00 -0.00 3.43 0.24 -1.25 -4.37 118.33 115.84 1x05 n VAL 73 Ca -0.08 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1x05 n VAL 73 Cb 0.57 -1.87 -0.01 0.00 -1.47 0.00 0.00 33.84 31.06 1x05 n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1x05 n GLU 74 N -0.77 0.19 -1.09 7.34 2.13 -1.26 -4.98 120.64 122.20 1x05 n GLU 74 Ca 0.00 0.07 0.13 0.00 0.66 0.00 0.00 57.16 58.02 1x05 n GLU 74 Cb 0.00 -0.82 -0.04 0.00 0.27 0.00 0.00 31.44 30.85 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1x05 n SER 75 N -3.78 -5.89 -3.55 4.31 3.41 -1.26 -5.00 113.62 101.87 1x05 n SER 75 Ca -0.07 0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 58.96 1x05 n SER 75 Cb 0.24 -3.47 -0.06 0.00 -0.26 0.00 0.00 64.21 60.66 1x05 n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1x05 s ASN 76 N -5.59 -0.55 -0.28 4.04 -0.87 -1.26 -5.16 114.94 105.27 1x05 s ASN 76 Ca 0.00 0.48 -0.27 0.00 -1.57 0.00 0.00 52.86 51.50 1x05 s ASN 76 Cb 0.00 0.51 0.17 0.00 -0.02 0.00 0.00 41.25 41.91 1x05 s ASN 76 CO 0.00 -0.64 1.31 -0.94 -2.57 0.00 0.00 177.10 174.26 1x05 s SER 77 N -1.48 -0.14 -0.07 -1.22 1.04 -1.26 -4.63 113.70 105.94 1x05 s SER 77 Ca -0.09 0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 1x05 s SER 77 Cb -0.01 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1x05 s SER 77 CO 0.05 -0.08 -0.21 -3.20 0.98 0.00 0.00 173.24 170.79 1x05 n ASN 78 N 1.24 1.59 0.00 7.02 5.15 -1.26 -5.04 115.26 123.96 1x05 n ASN 78 Ca -0.07 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1x05 n ASN 78 Cb 0.57 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x05 n GLY 79 N 2.27 0.00 3.36 8.20 0.00 -1.26 -5.15 105.19 112.62 1x05 n GLY 79 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1x05 n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x05 s ARG 80 N 0.00 0.56 0.41 1.61 3.52 -1.26 -5.13 118.95 118.66 1x05 s ARG 80 Ca 0.00 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1x05 s ARG 80 Cb 0.00 0.65 0.00 0.00 -1.56 0.00 0.00 34.95 34.04 1x05 s ARG 80 CO 0.00 -0.42 0.00 1.63 -0.81 0.00 0.00 175.30 175.70 1x05 n LYS 81 N 5.43 -2.30 -3.65 5.12 4.01 -1.26 -4.85 118.16 120.68 1x05 n LYS 81 Ca -0.06 1.86 -0.36 0.00 -0.51 0.00 0.00 58.31 59.24 1x05 n LYS 81 Cb 0.50 -2.58 -0.09 0.00 -0.51 0.00 0.00 35.03 32.34 1x05 n LYS 81 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x05 s SER 82 N -5.86 6.15 -0.08 4.39 0.01 -1.26 -4.96 113.70 112.09 1x05 s SER 82 Ca 0.00 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 1x05 s SER 82 Cb 0.00 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 1x05 s SER 82 CO 0.00 0.07 -0.18 -0.62 0.41 0.00 0.00 173.24 172.91 1x05 n GLU 83 N 4.21 0.28 -3.69 12.44 -0.58 -1.26 -5.02 120.64 127.01 1x05 n GLU 83 Ca -0.15 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.52 1x05 n GLU 83 Cb 0.52 -0.96 -0.17 0.00 -0.57 0.00 0.00 31.44 30.26 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 -2.11 -0.04 0.00 3.49 2.02 -1.26 -5.13 118.70 115.66 1x05 s GLU 84 Ca -0.15 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1x05 s GLU 84 Cb 0.02 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.85 1x05 s GLU 84 CO 0.23 -0.29 0.00 0.39 0.02 0.00 0.00 175.26 175.61 1x05 n GLU 85 N 5.04 0.20 -2.31 1.61 1.02 -1.26 -4.85 120.64 120.08 1x05 n GLU 85 Ca -0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1x05 n GLU 85 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.52 6.41 0.46 1.62 0.01 -1.26 -4.96 114.94 115.69 1x05 s ASN 86 Ca 0.00 1.09 0.03 0.00 -0.71 0.00 0.00 52.86 53.26 1x05 s ASN 86 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1x05 s ASN 86 CO 0.00 -1.32 0.08 -1.48 -1.51 0.00 0.00 177.10 172.86 1x05 s LEU 87 N 5.19 2.12 0.03 0.60 2.34 -1.26 -0.21 118.68 127.49 1x05 s LEU 87 Ca 0.63 -1.67 -0.27 0.00 0.06 0.00 0.00 54.13 52.87 1x05 s LEU 87 Cb -0.17 -0.37 0.08 0.00 -0.56 0.00 0.00 46.19 45.17 1x05 s LEU 87 CO 0.29 -0.91 0.70 0.72 -1.06 0.00 0.00 176.35 176.09 1x05 s PHE 88 N -3.06 -0.55 -0.14 3.48 -0.71 -1.10 -3.84 117.98 112.06 1x05 s PHE 88 Ca 0.16 0.67 -0.05 0.00 -1.04 0.00 0.00 56.93 56.67 1x05 s PHE 88 Cb 0.02 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1x05 s PHE 88 CO 0.10 -0.68 0.03 -2.00 -1.34 0.00 0.00 175.22 171.33 1x05 s GLU 89 N -2.42 3.50 -0.27 1.99 2.12 -0.79 -2.74 118.70 120.09 1x05 s GLU 89 Ca -0.04 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1x05 s GLU 89 Cb -0.01 -3.00 0.08 0.00 0.26 0.00 0.00 34.13 31.46 1x05 s GLU 89 CO -0.02 0.48 0.02 0.42 -0.54 0.00 0.00 175.26 175.61 1x05 s ILE 90 N -0.24 1.41 0.24 -3.70 1.01 -0.80 -0.82 121.20 118.31 1x05 s ILE 90 Ca 0.07 -1.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.01 1x05 s ILE 90 Cb -0.12 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1x05 s ILE 90 CO 0.02 -0.37 0.88 -0.63 0.00 0.00 0.00 174.94 174.84 1x05 s ILE 91 N 1.40 4.24 0.02 2.92 1.01 -0.55 -2.97 121.20 127.27 1x05 s ILE 91 Ca 0.02 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1x05 s ILE 91 Cb -0.18 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1x05 s ILE 91 CO -0.12 0.37 0.02 0.35 0.00 0.00 0.00 174.94 175.56 1x05 n THR 92 N 1.16 0.00 0.23 2.92 -2.24 -0.36 0.17 114.28 116.17 1x05 n THR 92 Ca -0.02 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1x05 n THR 92 Cb 0.49 -0.81 0.46 0.00 -2.10 0.00 0.00 70.33 68.37 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 h ALA 93 N 0.58 0.99 -0.01 6.98 0.00 -1.80 -1.83 119.26 124.17 1x05 h ALA 93 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x05 h ALA 93 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x05 h ALA 93 CO 0.02 0.21 -0.05 -3.47 0.00 0.00 0.00 179.25 175.95 1x05 n ASP 94 N -3.29 1.53 0.00 0.00 2.03 -1.26 -4.89 116.55 110.67 1x05 n ASP 94 Ca 0.01 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.89 1x05 n ASP 94 Cb 0.43 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x05 n GLU 95 N 0.11 0.00 -1.72 -0.67 1.02 -0.69 -4.99 120.64 113.70 1x05 n GLU 95 Ca 0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.89 1x05 n GLU 95 Cb 0.37 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.07 0.71 -4.34 2.62 0.31 -1.26 -4.54 118.33 109.76 1x05 n VAL 96 Ca 0.00 -0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 63.81 1x05 n VAL 96 Cb 0.00 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 30.96 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 0.31 3.14 -0.03 3.52 3.76 -1.26 -1.22 115.29 123.52 1x05 s HIS 97 Ca 0.68 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.70 1x05 s HIS 97 Cb -0.53 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.31 1x05 s HIS 97 CO 0.44 0.33 -0.09 0.71 -0.85 0.00 0.00 174.74 175.28 1x05 s TYR 98 N -0.50 0.98 -0.35 1.40 2.02 -1.16 -4.68 117.35 115.07 1x05 s TYR 98 Ca 0.09 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1x05 s TYR 98 Cb -0.12 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 40.80 1x05 s TYR 98 CO 0.02 -0.10 0.11 -0.06 -1.57 0.00 0.00 175.55 173.95 1x05 s PHE 99 N 0.20 3.35 -0.16 2.71 0.40 -1.26 -1.90 117.98 121.32 1x05 s PHE 99 Ca -0.03 -1.82 -0.02 0.00 -0.60 0.00 0.00 56.93 54.45 1x05 s PHE 99 Cb -0.09 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 1x05 s PHE 99 CO 0.01 -0.83 -0.07 -0.51 0.70 0.00 0.00 175.22 174.52 1x05 s LEU 100 N 1.29 2.99 -0.03 -0.37 2.01 -1.11 -2.10 118.68 121.37 1x05 s LEU 100 Ca -0.00 -0.24 -0.15 0.00 0.01 0.00 0.00 54.13 53.75 1x05 s LEU 100 Cb -0.21 -1.71 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 1x05 s LEU 100 CO -0.00 0.14 0.39 -1.58 1.01 0.00 0.00 176.35 176.31 1x05 s GLN 101 N 0.52 3.96 0.31 1.70 0.74 -1.06 -2.72 119.66 123.11 1x05 s GLN 101 Ca -0.05 0.36 0.07 0.00 0.05 0.00 0.00 55.36 55.79 1x05 s GLN 101 Cb -0.15 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1x05 s GLN 101 CO 0.03 0.61 0.31 0.00 -0.55 0.00 0.00 175.29 175.69 1x05 s ALA 102 N -0.79 3.88 -0.05 1.58 0.00 0.70 -3.20 121.76 123.88 1x05 s ALA 102 Ca 0.23 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1x05 s ALA 102 Cb -0.16 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 21.56 1x05 s ALA 102 CO 0.12 0.06 0.49 0.00 0.00 0.00 0.00 175.76 176.43 1x05 h ALA 103 N 1.22 -0.43 -2.04 0.00 0.00 -1.89 -3.39 119.26 112.73 1x05 h ALA 103 Ca -0.46 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 53.89 1x05 h ALA 103 Cb 1.25 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1x05 h ALA 103 CO 0.58 -0.40 -0.43 0.95 0.00 0.00 0.00 179.25 179.96 1x05 s THR 104 N -2.94 4.57 -0.74 0.00 -4.23 -1.26 -4.88 115.64 106.16 1x05 s THR 104 Ca -0.06 -1.12 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1x05 s THR 104 Cb 0.01 -3.57 0.24 0.00 1.34 0.00 0.00 72.50 70.52 1x05 s THR 104 CO 0.19 -0.27 1.73 -0.81 -0.54 0.00 0.00 174.62 174.92 1x05 n PRO 105 N -1.43 0.15 0.01 3.99 -0.04 -1.26 -2.54 135.00 133.89 1x05 n PRO 105 Ca -0.05 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1x05 n PRO 105 Cb 0.58 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1x05 n PRO 105 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x05 h LYS 106 N 0.00 0.00 0.31 0.54 3.64 -2.00 -3.36 116.57 115.71 1x05 h LYS 106 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1x05 h LYS 106 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1x05 h LYS 106 CO 0.00 0.54 -0.15 1.49 -2.27 0.00 0.00 179.45 179.06 1x05 h GLU 107 N 0.00 -0.41 -0.93 1.90 4.81 -1.90 -2.29 114.58 115.76 1x05 h GLU 107 Ca -0.19 0.03 0.31 0.00 -0.13 0.00 0.00 59.36 59.37 1x05 h GLU 107 Cb 1.84 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 31.14 1x05 h GLU 107 CO 0.08 -0.08 0.20 -2.13 -0.73 0.00 0.00 179.01 176.35 1x05 n ARG 108 N -5.09 -0.07 -0.04 1.92 0.00 -1.13 0.14 116.66 112.39 1x05 n ARG 108 Ca -0.09 1.35 -0.13 0.00 -0.00 0.00 0.00 57.85 58.99 1x05 n ARG 108 Cb 0.27 -2.25 -0.08 0.00 0.00 0.00 0.00 32.46 30.40 1x05 n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1x05 h THR 109 N 0.00 1.33 -0.10 5.15 2.02 -1.69 -2.84 112.91 116.79 1x05 h THR 109 Ca 0.65 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.78 1x05 h THR 109 Cb 1.51 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 69.73 1x05 h THR 109 CO -0.82 0.31 -0.27 -0.33 0.37 0.00 0.00 175.52 174.78 1x05 h GLU 110 N -0.18 -0.35 -0.50 6.66 5.08 0.18 -1.28 114.58 124.19 1x05 h GLU 110 Ca 0.02 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1x05 h GLU 110 Cb 0.51 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 1x05 h GLU 110 CO 0.01 -0.23 -0.42 -1.49 -1.00 0.00 0.00 179.01 175.88 1x05 h TRP 111 N -0.36 -1.24 -0.40 4.33 4.06 -0.53 1.60 115.95 123.41 1x05 h TRP 111 Ca 0.09 0.08 0.04 0.00 2.06 0.00 0.00 58.89 61.16 1x05 h TRP 111 Cb 0.50 0.61 -0.07 0.00 -1.00 0.00 0.00 29.16 29.20 1x05 h TRP 111 CO -0.35 -0.43 -0.41 0.82 -3.56 0.00 0.00 178.44 174.52 1x05 h ILE 112 N -0.27 0.00 -0.22 1.49 2.04 -1.08 1.67 117.51 121.14 1x05 h ILE 112 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.09 1x05 h ILE 112 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1x05 h ILE 112 CO -0.64 0.00 0.18 0.11 0.00 0.00 0.00 178.15 177.80 1x05 h LYS 113 N -0.21 0.00 0.28 2.37 1.57 -0.04 0.27 116.57 120.81 1x05 h LYS 113 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x05 h LYS 113 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1x05 h LYS 113 CO -0.49 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.25 1x05 h ALA 114 N 1.85 -0.38 -0.80 3.86 0.00 1.07 0.16 119.26 125.03 1x05 h ALA 114 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x05 h ALA 114 Cb 0.46 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1x05 h ALA 114 CO -0.00 -0.51 0.52 0.82 0.00 0.00 0.00 179.25 180.08 1x05 h ILE 115 N -0.78 1.17 0.13 0.00 2.04 0.29 -2.52 117.51 117.84 1x05 h ILE 115 Ca -0.04 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1x05 h ILE 115 Cb 0.51 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1x05 h ILE 115 CO 0.06 0.19 -0.14 1.56 0.00 0.00 0.00 178.15 179.82 1x05 h GLN 116 N 1.04 -0.30 -0.92 2.37 4.20 -0.48 0.44 115.11 121.46 1x05 h GLN 116 Ca 0.30 0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.30 1x05 h GLN 116 Cb -0.07 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 27.64 1x05 h GLN 116 CO -0.08 -0.20 0.33 0.00 -0.67 0.00 0.00 178.83 178.21 1x05 h MET 117 N -0.31 0.23 0.21 1.46 -0.00 -0.53 1.49 114.93 117.47 1x05 h MET 117 Ca 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1x05 h MET 117 Cb 0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1x05 h MET 117 CO -0.05 0.15 -0.10 0.00 -0.00 0.00 0.00 176.91 176.91 1x05 h ALA 118 N 1.81 -0.30 -1.24 -3.00 0.00 -1.14 -3.23 119.26 112.16 1x05 h ALA 118 Ca 0.61 -0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.82 1x05 h ALA 118 Cb 1.30 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1x05 h ALA 118 CO -0.65 -0.28 0.92 0.66 0.00 0.00 0.00 179.25 179.90 1x05 h SER 119 N -0.99 0.00 -0.13 0.00 4.64 0.68 1.48 113.55 119.22 1x05 h SER 119 Ca -0.03 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1x05 h SER 119 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1x05 h SER 119 CO 0.05 0.00 0.10 0.03 -0.87 0.00 0.00 176.83 176.14 1x05 h ARG 120 N 0.00 0.00 0.00 4.77 2.47 0.20 -3.44 114.38 118.39 1x05 h ARG 120 Ca 0.59 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.31 1x05 h ARG 120 Cb 2.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.75 1x05 h ARG 120 CO -0.01 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.77 1x05 n THR 121 N -4.36 0.00 -0.02 2.04 -2.24 0.50 -3.81 114.28 106.39 1x05 n THR 121 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1x05 n THR 121 Cb 0.22 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1x05 n THR 121 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1x05 h GLY 122 N 0.00 0.69 -5.58 3.38 0.00 -1.91 -3.49 103.07 96.16 1x05 h GLY 122 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 1x05 h GLY 122 CO 0.00 0.67 -0.78 1.17 0.00 0.00 0.00 176.54 177.60 1x05 n LYS 123 N -4.00 -2.38 -3.04 4.80 3.00 -1.25 -4.89 118.16 110.40 1x05 n LYS 123 Ca -0.03 2.04 -0.44 0.00 -0.00 0.00 0.00 58.31 59.88 1x05 n LYS 123 Cb 0.57 -4.59 -0.04 0.00 0.00 0.00 0.00 35.03 30.98 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 s SER 124 N -2.07 6.31 0.00 3.14 0.15 -1.26 -4.98 113.70 115.00 1x05 s SER 124 Ca 0.21 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1x05 s SER 124 Cb -0.04 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x05 s SER 124 CO 0.74 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x05 n GLY 125 N 5.22 5.14 3.58 9.45 0.00 -1.26 -5.01 105.19 122.30 1x05 n GLY 125 Ca 0.00 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 1x05 n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x05 s PRO 126 N 1.97 3.23 0.00 1.61 0.04 -1.26 -4.75 135.00 135.83 1x05 s PRO 126 Ca 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.59 1x05 s PRO 126 Cb 0.00 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1x05 s PRO 126 CO 0.00 -3.05 0.00 0.45 0.04 0.00 0.00 177.00 174.44 1x05 n SER 127 N 11.34 0.00 -3.24 6.66 2.88 -1.26 -5.12 113.62 124.88 1x05 n SER 127 Ca 0.45 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.86 1x05 n SER 127 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 1x05 n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x05 s SER 128 N 0.00 0.34 0.00 -3.46 0.15 -1.26 -5.03 113.70 104.43 1x05 s SER 128 Ca 0.00 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1x05 s SER 128 Cb 0.00 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1x05 s SER 128 CO 0.00 -0.19 0.23 0.61 1.20 0.00 0.00 173.24 175.09