#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 0.37 -0.09 1.61 7.64 -1.26 -4.97 113.62 116.92 1x05 n SER 2 Ca 0.00 0.30 -0.10 0.00 1.01 0.00 0.00 58.87 60.08 1x05 n SER 2 Cb 0.00 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 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 -3.41 1.86 0.00 6.43 7.64 -1.26 -5.07 113.62 119.81 1x05 n SER 3 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1x05 n SER 3 Cb 0.03 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 1.52 0.76 3.65 0.23 0.00 -1.26 -4.91 105.19 105.18 1x05 n GLY 4 Ca -0.16 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 -0.25 0.23 1.61 0.15 -1.26 -5.19 113.70 105.00 1x05 s SER 5 Ca 0.00 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.99 1x05 s SER 5 Cb 0.00 0.93 -0.02 0.00 -1.71 0.00 0.00 66.02 65.22 1x05 s SER 5 CO 0.00 -0.07 0.33 -0.94 1.20 0.00 0.00 173.24 173.76 1x05 s SER 6 N 0.90 0.04 -0.76 5.45 1.04 -1.26 -4.98 113.70 114.13 1x05 s SER 6 Ca -0.05 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.20 1x05 s SER 6 Cb -0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1x05 s SER 6 CO -0.12 -1.01 0.64 0.61 0.98 0.00 0.00 173.24 174.34 1x05 n GLY 7 N -0.34 -1.20 3.26 7.32 0.00 -1.26 -5.00 105.19 107.97 1x05 n GLY 7 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.88 0.28 1.12 1.61 0.11 -1.26 -5.16 120.40 114.22 1x05 s VAL 8 Ca 0.03 -2.00 -0.14 0.00 -2.93 0.00 0.00 61.98 56.94 1x05 s VAL 8 Cb -0.01 -2.57 0.25 0.00 -1.53 0.00 0.00 36.38 32.53 1x05 s VAL 8 CO 0.84 0.00 1.06 -0.63 -3.33 0.00 0.00 175.10 173.05 1x05 s ILE 9 N -3.93 1.88 -0.20 7.04 1.09 -1.26 -5.04 121.20 120.78 1x05 s ILE 9 Ca 0.38 0.00 -0.01 0.00 -1.10 0.00 0.00 60.65 59.93 1x05 s ILE 9 Cb 0.07 -2.34 0.05 0.00 -1.06 0.00 0.00 42.46 39.18 1x05 s ILE 9 CO 0.13 0.00 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.72 1x05 s LEU 10 N -6.88 1.87 0.00 2.97 1.98 -1.26 -5.13 118.68 112.23 1x05 s LEU 10 Ca 0.67 -0.89 -0.08 0.00 -2.89 0.00 0.00 54.13 50.94 1x05 s LEU 10 Cb -0.19 -0.93 0.12 0.00 0.66 0.00 0.00 46.19 45.85 1x05 s LEU 10 CO 0.59 -0.23 0.27 0.29 -1.89 0.00 0.00 176.35 175.38 1x05 n LYS 11 N 4.84 -1.49 -0.10 1.98 5.02 -1.26 -4.93 118.16 122.22 1x05 n LYS 11 Ca -0.11 -0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 55.61 1x05 n LYS 11 Cb 0.46 -0.76 -0.13 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.97 0.86 0.21 1.97 -0.58 -1.26 -4.00 120.64 115.87 1x05 n GLU 12 Ca 0.04 0.04 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 1x05 n GLU 12 Cb 0.19 -1.47 0.35 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.00 0.00 -0.57 3.49 4.11 -2.00 -2.95 114.58 116.66 1x05 h GLU 13 Ca -0.51 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.71 1x05 h GLU 13 Cb 2.03 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.16 1x05 h GLU 13 CO -0.01 0.20 0.17 1.19 0.07 0.00 0.00 179.01 180.63 1x05 n PHE 14 N -3.24 1.85 0.04 2.06 3.72 -1.26 -4.23 117.46 116.40 1x05 n PHE 14 Ca 0.01 -1.35 0.03 0.00 -0.05 0.00 0.00 57.45 56.10 1x05 n PHE 14 Cb 0.49 -0.60 -0.05 0.00 -0.94 0.00 0.00 39.48 38.39 1x05 n PHE 14 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1x05 n ARG 15 N -0.66 0.90 0.00 -1.08 -4.01 -1.11 -4.80 116.66 105.90 1x05 n ARG 15 Ca 0.38 -0.05 0.00 0.00 -1.04 0.00 0.00 57.85 57.13 1x05 n ARG 15 Cb 1.23 -1.11 0.00 0.00 -3.04 0.00 0.00 32.46 29.54 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x05 n GLY 16 N 1.97 -2.54 3.48 2.89 0.00 -1.25 -5.02 105.19 104.71 1x05 n GLY 16 Ca -0.01 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 1.56 0.37 1.61 0.11 -1.25 -4.99 120.40 117.80 1x05 s VAL 17 Ca 0.00 -2.05 0.08 0.00 -2.93 0.00 0.00 61.98 57.07 1x05 s VAL 17 Cb 0.00 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1x05 s VAL 17 CO 0.00 -0.12 0.32 -0.63 -3.33 0.00 0.00 175.10 171.34 1x05 s ILE 18 N -3.05 3.19 0.00 7.04 1.01 -1.26 -2.77 121.20 125.36 1x05 s ILE 18 Ca 0.33 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1x05 s ILE 18 Cb 0.07 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1x05 s ILE 18 CO 0.15 -0.11 0.00 2.30 0.00 0.00 0.00 174.94 177.28 1x05 n ILE 19 N -1.43 0.00 -3.98 2.92 -0.00 -1.06 -4.83 119.36 110.98 1x05 n ILE 19 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1x05 n ILE 19 Cb 0.61 -0.34 -0.11 0.00 -0.00 0.00 0.00 39.64 39.80 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 -1.51 0.39 0.06 6.28 2.20 -1.25 -5.07 119.74 120.83 1x05 s LYS 20 Ca 0.00 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1x05 s LYS 20 Cb 0.00 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1x05 s LYS 20 CO 0.00 -0.07 0.31 -0.65 -0.36 0.00 0.00 175.35 174.58 1x05 s GLN 21 N -1.82 0.85 0.00 4.03 -0.21 -1.26 -2.13 119.66 119.12 1x05 s GLN 21 Ca -0.12 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1x05 s GLN 21 Cb -0.07 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.31 1x05 s GLN 21 CO -0.02 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 1x05 n GLY 22 N 0.43 -1.04 3.29 3.09 0.00 -1.10 -5.05 105.19 104.81 1x05 n GLY 22 Ca -0.18 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.34 2.15 -0.46 0.00 1.43 0.40 -4.86 118.68 116.99 1x05 s LEU 24 Ca 0.02 -1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 51.45 1x05 s LEU 24 Cb -0.12 -0.35 0.12 0.00 0.03 0.00 0.00 46.19 45.87 1x05 s LEU 24 CO 0.02 -0.83 0.30 -0.76 0.23 0.00 0.00 176.35 175.31 1x05 s LEU 25 N -3.66 5.52 -0.12 1.79 2.01 -1.23 0.71 118.68 123.70 1x05 s LEU 25 Ca 0.22 -2.03 -0.26 0.00 0.01 0.00 0.00 54.13 52.07 1x05 s LEU 25 Cb 0.04 -1.93 -0.02 0.00 0.01 0.00 0.00 46.19 44.28 1x05 s LEU 25 CO 0.12 -0.62 0.87 -0.75 1.01 0.00 0.00 176.35 176.98 1x05 s LYS 26 N 1.17 4.37 0.25 1.70 2.20 -0.97 -2.79 119.74 125.67 1x05 s LYS 26 Ca 0.08 1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 56.68 1x05 s LYS 26 Cb -0.24 -3.54 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 1x05 s LYS 26 CO -0.02 -0.24 0.62 -0.65 -0.36 0.00 0.00 175.35 174.69 1x05 s GLN 27 N 1.81 3.92 0.00 4.03 -0.21 -0.99 -4.06 119.66 124.16 1x05 s GLN 27 Ca 0.42 0.47 0.00 0.00 0.02 0.00 0.00 55.36 56.27 1x05 s GLN 27 Cb -0.18 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.20 1x05 s GLN 27 CO 0.16 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1x05 n GLY 28 N -0.01 1.81 0.05 3.09 0.00 -1.26 -4.73 105.19 104.14 1x05 n GLY 28 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 -0.01 1.61 1.44 -1.26 -4.58 115.22 112.42 1x05 n HIS 29 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1x05 n HIS 29 Cb 0.00 -0.38 0.26 0.00 0.12 0.00 0.00 29.99 29.99 1x05 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x05 h ARG 30 N 0.00 0.55 -5.35 -1.40 3.08 -2.03 -3.48 114.38 105.75 1x05 h ARG 30 Ca -0.22 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.70 1x05 h ARG 30 Cb 1.39 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.29 1x05 h ARG 30 CO -0.02 0.62 -1.15 0.54 -1.07 0.00 0.00 179.97 178.89 1x05 n ARG 31 N -4.24 -3.56 0.10 0.04 1.74 -1.26 -5.01 116.66 104.48 1x05 n ARG 31 Ca 0.01 2.78 0.00 0.00 -0.77 0.00 0.00 57.85 59.87 1x05 n ARG 31 Cb 0.29 -3.95 0.00 0.00 -1.02 0.00 0.00 32.46 27.78 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x05 n LYS 32 N 1.79 0.00 -3.72 5.56 0.00 -1.26 -5.11 118.16 115.43 1x05 n LYS 32 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 57.91 1x05 n LYS 32 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.32 1x05 n LYS 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1x05 s ASN 33 N -4.43 0.03 0.45 3.14 0.01 -1.26 -5.13 114.94 107.74 1x05 s ASN 33 Ca 0.00 0.41 -0.25 0.00 -0.71 0.00 0.00 52.86 52.32 1x05 s ASN 33 Cb 0.00 0.33 -0.09 0.00 0.41 0.00 0.00 41.25 41.90 1x05 s ASN 33 CO 0.00 -0.18 1.28 0.79 -1.51 0.00 0.00 177.10 177.48 1x05 n TRP 34 N 4.52 2.13 -5.08 2.20 7.02 -1.26 -4.97 117.44 122.00 1x05 n TRP 34 Ca -0.20 0.48 -0.30 0.00 -1.02 0.00 0.00 57.50 56.46 1x05 n TRP 34 Cb 0.52 -2.37 -0.17 0.00 -2.42 0.00 0.00 31.31 26.87 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 -2.33 2.51 0.39 -0.99 1.02 -1.26 -5.05 119.74 114.03 1x05 s LYS 35 Ca 0.63 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 55.60 1x05 s LYS 35 Cb -0.49 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 1x05 s LYS 35 CO 0.57 0.23 1.06 0.08 -0.92 0.00 0.00 175.35 176.36 1x05 s VAL 36 N 0.19 3.69 -0.04 3.17 1.01 -1.26 -2.28 120.40 124.89 1x05 s VAL 36 Ca -0.12 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 1x05 s VAL 36 Cb -0.15 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1x05 s VAL 36 CO 0.06 0.03 0.61 -0.13 0.00 0.00 0.00 175.10 175.66 1x05 s ARG 37 N -2.43 0.99 0.26 2.72 0.52 0.22 -4.68 118.95 116.55 1x05 s ARG 37 Ca 0.57 0.15 -0.25 0.00 -0.52 0.00 0.00 55.73 55.69 1x05 s ARG 37 Cb -0.23 0.46 -0.09 0.00 0.52 0.00 0.00 34.95 35.61 1x05 s ARG 37 CO 0.29 -0.31 0.85 0.21 0.02 0.00 0.00 175.30 176.36 1x05 s LYS 38 N -1.28 4.52 -0.07 3.54 2.20 -0.12 0.15 119.74 128.69 1x05 s LYS 38 Ca -0.11 1.19 -0.03 0.00 -0.36 0.00 0.00 55.97 56.66 1x05 s LYS 38 Cb -0.01 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1x05 s LYS 38 CO 0.08 0.39 0.09 -0.06 -0.36 0.00 0.00 175.35 175.50 1x05 s PHE 39 N -1.46 -0.00 -0.10 4.03 0.08 0.75 -2.08 117.98 119.19 1x05 s PHE 39 Ca 0.45 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.82 1x05 s PHE 39 Cb -0.20 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 1x05 s PHE 39 CO 0.24 -0.25 -0.17 0.42 -0.10 0.00 0.00 175.22 175.36 1x05 s ILE 40 N 2.20 2.69 -0.10 0.64 1.01 0.50 -2.70 121.20 125.44 1x05 s ILE 40 Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1x05 s ILE 40 Cb -0.12 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1x05 s ILE 40 CO -0.04 0.55 -0.02 -0.22 0.00 0.00 0.00 174.94 175.20 1x05 s LEU 41 N 0.16 3.44 -0.04 2.97 2.96 -0.90 -0.01 118.68 127.25 1x05 s LEU 41 Ca -0.10 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1x05 s LEU 41 Cb -0.16 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x05 s LEU 41 CO 0.06 0.33 0.03 -0.13 -1.32 0.00 0.00 176.35 175.32 1x05 s ARG 42 N -0.61 0.13 -0.14 1.98 0.52 -0.06 -2.55 118.95 118.23 1x05 s ARG 42 Ca 0.10 0.23 -0.06 0.00 -0.52 0.00 0.00 55.73 55.47 1x05 s ARG 42 Cb -0.12 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 1x05 s ARG 42 CO 0.02 -0.25 0.08 -1.83 0.02 0.00 0.00 175.30 173.34 1x05 s GLU 43 N 1.65 3.54 -0.55 3.54 4.04 -1.11 -0.14 118.70 129.67 1x05 s GLU 43 Ca -0.01 -0.27 -0.11 0.00 0.04 0.00 0.00 54.97 54.61 1x05 s GLU 43 Cb -0.13 -3.11 0.01 0.00 0.02 0.00 0.00 34.13 30.93 1x05 s GLU 43 CO -0.03 0.57 0.64 -3.47 -1.84 0.00 0.00 175.26 171.13 1x05 n ASP 44 N 2.60 -7.68 -4.74 0.83 2.03 -1.26 -4.00 116.55 104.32 1x05 n ASP 44 Ca -0.18 0.25 -0.29 0.00 0.52 0.00 0.00 54.79 55.08 1x05 n ASP 44 Cb 0.54 -5.05 0.14 0.00 -0.72 0.00 0.00 41.12 36.02 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 -2.81 1.07 -0.68 -0.67 0.04 -1.26 -3.96 135.00 126.73 1x05 s PRO 45 Ca 0.16 0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1x05 s PRO 45 Cb -0.04 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.82 1x05 s PRO 45 CO 0.77 -2.24 0.68 0.00 0.04 0.00 0.00 177.00 176.25 1x05 s ALA 46 N -3.29 3.72 -0.04 8.56 0.00 -1.23 -4.67 121.76 124.80 1x05 s ALA 46 Ca 0.64 -2.75 -0.08 0.00 0.00 0.00 0.00 51.96 49.77 1x05 s ALA 46 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1x05 s ALA 46 CO 0.53 -2.25 0.19 0.71 0.00 0.00 0.00 175.76 174.95 1x05 s TYR 47 N 1.43 -0.13 -0.26 0.00 2.02 0.80 -1.87 117.35 119.34 1x05 s TYR 47 Ca 0.12 0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1x05 s TYR 47 Cb -0.20 0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1x05 s TYR 47 CO -0.01 -0.19 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.54 1x05 s LEU 48 N -0.51 3.39 -0.11 -1.29 1.98 -1.07 -0.88 118.68 120.20 1x05 s LEU 48 Ca -0.06 -1.13 -0.03 0.00 -2.89 0.00 0.00 54.13 50.02 1x05 s LEU 48 Cb -0.04 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.15 1x05 s LEU 48 CO 0.01 -0.18 0.02 -1.00 -1.89 0.00 0.00 176.35 173.32 1x05 s HIS 49 N 1.24 3.21 -0.10 5.38 3.76 0.98 -1.16 115.29 128.60 1x05 s HIS 49 Ca -0.04 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1x05 s HIS 49 Cb -0.18 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.68 1x05 s HIS 49 CO -0.04 0.43 -0.09 1.52 -0.85 0.00 0.00 174.74 175.70 1x05 s TYR 50 N -0.66 1.49 0.40 1.40 1.13 -1.23 0.19 117.35 120.07 1x05 s TYR 50 Ca 0.11 -0.68 0.08 0.00 -1.41 0.00 0.00 57.07 55.16 1x05 s TYR 50 Cb -0.12 -1.18 -0.02 0.00 -1.10 0.00 0.00 41.96 39.54 1x05 s TYR 50 CO 0.02 -0.44 0.35 0.71 -2.51 0.00 0.00 175.55 173.69 1x05 s TYR 51 N 1.34 2.74 0.33 -3.49 1.51 -0.89 -1.31 117.35 117.58 1x05 s TYR 51 Ca -0.02 -0.46 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 1x05 s TYR 51 Cb -0.14 -2.09 -0.09 0.00 -0.11 0.00 0.00 41.96 39.53 1x05 s TYR 51 CO -0.04 -0.05 1.06 0.34 -1.11 0.00 0.00 175.55 175.75 1x05 s ASP 52 N -4.10 7.08 -0.04 2.29 2.15 -1.26 -0.94 116.67 121.85 1x05 s ASP 52 Ca 0.47 2.14 -0.24 0.00 0.43 0.00 0.00 52.55 55.34 1x05 s ASP 52 Cb -0.03 -2.61 -0.23 0.00 -0.30 0.00 0.00 42.92 39.75 1x05 s ASP 52 CO 0.27 -0.27 1.07 1.55 -0.17 0.00 0.00 175.17 177.62 1x05 h PRO 53 N 3.26 0.19 -1.28 4.34 0.13 -1.93 -3.17 132.00 133.55 1x05 h PRO 53 Ca -0.47 -0.18 0.37 0.00 -0.87 0.00 0.00 66.00 64.85 1x05 h PRO 53 Cb 1.21 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 1x05 h PRO 53 CO 0.65 0.89 0.89 0.00 -0.23 0.00 0.00 178.00 180.20 1x05 h ALA 54 N 0.30 3.00 0.00 -0.56 0.00 -1.93 -3.45 119.26 116.62 1x05 h ALA 54 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x05 h ALA 54 Cb 0.96 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x05 h ALA 54 CO 0.05 -1.42 0.00 0.41 0.00 0.00 0.00 179.25 178.29 1x05 n GLY 55 N -1.70 4.47 0.00 0.00 0.00 -1.20 -5.19 105.19 101.58 1x05 n GLY 55 Ca 0.29 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.81 0.00 0.07 4.61 0.00 -1.26 -4.74 120.51 117.38 1x05 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x05 n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -3.14 0.00 4.07 -1.26 -5.03 120.64 115.28 1x05 n GLU 57 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1x05 n GLU 57 Cb 0.00 -0.25 -0.03 0.00 -0.06 0.00 0.00 31.44 31.10 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1x05 s ASP 58 N -5.37 6.44 0.51 4.31 -4.77 -1.26 -5.07 116.67 111.46 1x05 s ASP 58 Ca 0.00 0.83 -0.19 0.00 -3.30 0.00 0.00 52.55 49.89 1x05 s ASP 58 Cb 0.00 -2.20 -0.08 0.00 -1.09 0.00 0.00 42.92 39.56 1x05 s ASP 58 CO 0.00 -0.29 1.04 -2.16 0.70 0.00 0.00 175.17 174.46 1x05 s PRO 59 N -3.79 3.72 0.00 2.11 0.04 -1.26 -4.75 135.00 131.06 1x05 s PRO 59 Ca 0.46 1.31 0.18 0.00 0.04 0.00 0.00 61.00 62.99 1x05 s PRO 59 Cb -0.10 -2.08 0.76 0.00 0.04 0.00 0.00 34.50 33.11 1x05 s PRO 59 CO 0.32 -0.49 1.56 1.28 0.04 0.00 0.00 177.00 179.70 1x05 n LEU 60 N -1.20 0.00 0.00 -3.56 4.77 -0.42 -4.93 117.00 111.66 1x05 n LEU 60 Ca 0.09 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1x05 n LEU 60 Cb 0.53 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1x05 n LEU 60 CO 0.41 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1x05 n GLY 61 N 0.30 -1.42 2.96 -0.72 0.00 -1.26 -5.04 105.19 100.01 1x05 n GLY 61 Ca 0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.35 0.15 -0.31 4.61 0.00 -1.26 -3.54 121.76 120.06 1x05 s ALA 62 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1x05 s ALA 62 Cb 0.00 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1x05 s ALA 62 CO 0.00 -0.09 0.03 0.42 0.00 0.00 0.00 175.76 176.12 1x05 s ILE 63 N -1.00 3.30 0.25 0.00 1.01 -0.31 -4.94 121.20 119.52 1x05 s ILE 63 Ca -0.10 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.01 1x05 s ILE 63 Cb -0.07 -2.86 -0.13 0.00 0.01 0.00 0.00 42.46 39.41 1x05 s ILE 63 CO -0.01 -0.10 1.38 1.57 0.00 0.00 0.00 174.94 177.79 1x05 n HIS 64 N 4.70 2.14 -0.42 3.97 -0.00 -1.26 -2.59 115.22 121.77 1x05 n HIS 64 Ca -0.13 0.46 0.05 0.00 0.46 0.00 0.00 57.72 58.55 1x05 n HIS 64 Cb 0.44 -2.45 0.10 0.00 -0.12 0.00 0.00 29.99 27.96 1x05 n HIS 64 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1x05 n LEU 65 N 1.97 2.50 0.20 0.27 4.77 -0.78 -4.46 117.00 121.48 1x05 n LEU 65 Ca 0.11 -2.39 -0.12 0.00 -0.03 0.00 0.00 56.01 53.58 1x05 n LEU 65 Cb 0.32 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1x05 n LEU 65 CO 0.62 0.62 0.52 -0.09 -1.33 0.00 0.00 177.39 177.73 1x05 h ARG 66 N 0.62 -0.65 -0.58 3.23 2.43 -1.85 -3.34 114.38 114.24 1x05 h ARG 66 Ca 0.00 0.04 -0.40 0.00 -0.81 0.00 0.00 59.98 58.81 1x05 h ARG 66 Cb 0.78 0.15 -0.40 0.00 -0.42 0.00 0.00 29.97 30.08 1x05 h ARG 66 CO 0.03 -0.43 -0.93 0.41 -1.51 0.00 0.00 179.97 177.53 1x05 n GLY 67 N -1.37 4.43 3.75 2.80 0.00 -1.26 -4.90 105.19 108.63 1x05 n GLY 67 Ca -0.08 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.33 0.59 -0.04 0.00 1.01 0.47 -4.94 120.40 114.16 1x05 s VAL 69 Ca 0.69 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1x05 s VAL 69 Cb -0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1x05 s VAL 69 CO 0.54 -0.28 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 1x05 s VAL 70 N -1.16 2.86 0.34 2.92 1.01 -1.26 -0.63 120.40 124.48 1x05 s VAL 70 Ca -0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1x05 s VAL 70 Cb -0.09 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1x05 s VAL 70 CO 0.00 0.58 0.73 0.28 0.00 0.00 0.00 175.10 176.70 1x05 s THR 71 N -0.71 0.00 0.28 3.92 -1.32 0.04 -4.97 115.64 112.88 1x05 s THR 71 Ca 0.11 -1.06 0.11 0.00 -1.21 0.00 0.00 61.69 59.64 1x05 s THR 71 Cb -0.10 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.29 1x05 s THR 71 CO 0.00 0.00 -0.09 -0.44 -2.21 0.00 0.00 174.62 171.88 1x05 s SER 72 N -3.03 4.07 0.19 8.08 0.01 -1.26 -1.69 113.70 120.06 1x05 s SER 72 Ca 0.15 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1x05 s SER 72 Cb -0.05 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1x05 s SER 72 CO 0.10 -0.01 0.00 1.33 0.41 0.00 0.00 173.24 175.08 1x05 n VAL 73 N -0.78 0.00 0.00 3.43 0.24 -1.25 -4.41 118.33 115.56 1x05 n VAL 73 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1x05 n VAL 73 Cb 0.60 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.99 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 -0.19 0.00 -3.61 7.34 4.07 -1.26 -5.00 120.64 121.99 1x05 n GLU 74 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1x05 n GLU 74 Cb 0.00 -0.89 0.02 0.00 -0.06 0.00 0.00 31.44 30.52 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x05 n SER 75 N -2.55 -5.15 -4.52 4.31 2.88 -1.26 -4.79 113.62 102.53 1x05 n SER 75 Ca 0.00 -0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 56.64 1x05 n SER 75 Cb 0.48 -1.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.33 1x05 n SER 75 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1x05 s ASN 76 N -2.04 6.23 -0.27 -3.46 -0.87 -1.26 -4.93 114.94 108.35 1x05 s ASN 76 Ca 0.24 -0.51 -0.26 0.00 -1.57 0.00 0.00 52.86 50.76 1x05 s ASN 76 Cb -0.02 -2.50 0.13 0.00 -0.02 0.00 0.00 41.25 38.83 1x05 s ASN 76 CO 0.88 -1.60 1.04 -0.94 -2.57 0.00 0.00 177.10 173.91 1x05 s SER 77 N 3.49 -0.42 0.31 -1.22 1.04 -1.26 -5.15 113.70 110.49 1x05 s SER 77 Ca 0.32 0.78 -0.27 0.00 0.48 0.00 0.00 55.95 57.26 1x05 s SER 77 Cb -0.11 0.78 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 1x05 s SER 77 CO 0.16 -0.17 0.96 0.20 0.98 0.00 0.00 173.24 175.37 1x05 s ASN 78 N 0.06 7.36 -0.99 7.02 0.01 -1.26 -4.91 114.94 122.23 1x05 s ASN 78 Ca 0.03 1.89 -0.24 0.00 -0.71 0.00 0.00 52.86 53.83 1x05 s ASN 78 Cb -0.04 -2.59 -0.15 0.00 0.41 0.00 0.00 41.25 38.88 1x05 s ASN 78 CO -0.06 -0.05 1.93 0.61 -1.51 0.00 0.00 177.10 178.03 1x05 n GLY 79 N 0.77 1.07 1.72 0.66 0.00 -1.26 -4.05 105.19 104.10 1x05 n GLY 79 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1x05 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 n ARG 80 N 7.96 0.00 -3.92 1.61 5.12 -1.26 -5.12 116.66 121.05 1x05 n ARG 80 Ca 0.45 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 56.16 1x05 n ARG 80 Cb 0.45 -0.07 -0.04 0.00 -1.16 0.00 0.00 32.46 31.64 1x05 n ARG 80 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x05 s LYS 81 N -1.51 2.77 0.00 5.56 -0.14 -1.26 -5.10 119.74 120.06 1x05 s LYS 81 Ca 0.00 -1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 53.19 1x05 s LYS 81 Cb 0.00 -2.49 -0.06 0.00 -1.68 0.00 0.00 37.83 33.60 1x05 s LYS 81 CO 0.00 0.19 0.55 -1.12 -0.76 0.00 0.00 175.35 174.21 1x05 s SER 82 N -3.94 6.94 0.36 2.83 0.01 -1.26 -4.88 113.70 113.76 1x05 s SER 82 Ca 0.38 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1x05 s SER 82 Cb -0.06 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x05 s SER 82 CO 0.26 0.16 0.00 1.21 0.41 0.00 0.00 173.24 175.28 1x05 n GLU 83 N 2.48 0.00 -3.72 12.44 2.13 -1.26 -5.12 120.64 127.60 1x05 n GLU 83 Ca -0.09 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.59 1x05 n GLU 83 Cb 0.51 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.07 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x05 s GLU 84 N -2.00 0.08 0.00 5.31 2.02 -1.26 -5.13 118.70 117.73 1x05 s GLU 84 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1x05 s GLU 84 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.03 1x05 s GLU 84 CO 0.00 -0.22 0.00 0.39 0.02 0.00 0.00 175.26 175.45 1x05 n GLU 85 N 4.61 3.27 -2.86 1.61 1.02 -1.26 -4.97 120.64 122.07 1x05 n GLU 85 Ca -0.19 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.54 1x05 n GLU 85 Cb 0.51 0.00 -0.04 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 -1.13 7.09 0.38 1.62 0.01 -1.26 -5.00 114.94 116.65 1x05 s ASN 86 Ca 0.00 1.33 0.05 0.00 -0.71 0.00 0.00 52.86 53.53 1x05 s ASN 86 Cb 0.00 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1x05 s ASN 86 CO 0.00 -0.31 0.19 -0.76 -1.51 0.00 0.00 177.10 174.71 1x05 s LEU 87 N 1.59 1.88 -0.19 0.60 1.43 -1.26 -0.33 118.68 122.39 1x05 s LEU 87 Ca 0.42 -1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 51.53 1x05 s LEU 87 Cb -0.18 0.16 0.10 0.00 0.03 0.00 0.00 46.19 46.31 1x05 s LEU 87 CO 0.18 -0.99 0.90 0.72 0.23 0.00 0.00 176.35 177.38 1x05 s PHE 88 N -3.31 -0.53 -0.14 0.29 -0.12 -1.05 -3.85 117.98 109.27 1x05 s PHE 88 Ca 0.30 1.10 -0.08 0.00 -0.05 0.00 0.00 56.93 58.20 1x05 s PHE 88 Cb 0.02 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1x05 s PHE 88 CO 0.19 -0.37 0.14 -2.00 -0.05 0.00 0.00 175.22 173.14 1x05 s GLU 89 N -0.49 3.70 -0.22 1.99 2.12 -0.68 -2.67 118.70 122.45 1x05 s GLU 89 Ca -0.02 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 1x05 s GLU 89 Cb -0.02 -3.27 0.06 0.00 0.26 0.00 0.00 34.13 31.16 1x05 s GLU 89 CO 0.01 0.62 -0.04 0.42 -0.54 0.00 0.00 175.26 175.73 1x05 s ILE 90 N -0.57 1.28 0.15 -3.70 1.01 -0.95 -0.78 121.20 117.63 1x05 s ILE 90 Ca 0.13 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1x05 s ILE 90 Cb -0.12 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.70 1x05 s ILE 90 CO 0.02 -0.09 0.61 -0.63 0.00 0.00 0.00 174.94 174.85 1x05 s ILE 91 N 1.52 4.72 0.52 2.92 1.01 0.20 -2.75 121.20 129.34 1x05 s ILE 91 Ca -0.04 1.10 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1x05 s ILE 91 Cb -0.18 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1x05 s ILE 91 CO -0.07 0.33 0.48 0.35 0.00 0.00 0.00 174.94 176.04 1x05 n THR 92 N 1.07 0.00 0.29 2.92 -2.24 -0.55 0.18 114.28 115.94 1x05 n THR 92 Ca -0.06 -1.97 0.12 0.00 -2.27 0.00 0.00 64.05 59.86 1x05 n THR 92 Cb 0.51 -0.19 0.55 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.05 1.37 1.16 6.98 0.00 -1.26 -0.02 120.51 126.68 1x05 n ALA 93 Ca -0.15 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1x05 n ALA 93 Cb 0.58 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.27 2.04 0.00 0.00 8.00 -1.26 -4.91 116.55 118.15 1x05 n ASP 94 Ca 0.00 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1x05 n ASP 94 Cb 0.14 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x05 n GLU 95 N 0.36 0.00 -1.97 -1.24 1.02 0.97 -4.98 120.64 114.79 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 0.46 -2.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.26 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 -3.54 2.64 -0.03 2.62 1.01 -1.26 -4.60 120.40 117.24 1x05 s VAL 96 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1x05 s VAL 96 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1x05 s VAL 96 CO 0.00 0.06 0.06 -1.00 0.00 0.00 0.00 175.10 174.22 1x05 s HIS 97 N 0.66 3.27 -0.04 5.22 3.76 -1.26 -1.48 115.29 125.41 1x05 s HIS 97 Ca 0.65 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.78 1x05 s HIS 97 Cb -0.43 -1.76 0.03 0.00 1.11 0.00 0.00 32.58 31.53 1x05 s HIS 97 CO 0.36 0.54 0.03 0.71 -0.85 0.00 0.00 174.74 175.54 1x05 s TYR 98 N -1.10 0.20 -0.44 1.40 2.02 -1.11 -4.95 117.35 113.39 1x05 s TYR 98 Ca 0.20 0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.86 1x05 s TYR 98 Cb -0.12 -0.47 0.05 0.00 -0.40 0.00 0.00 41.96 41.02 1x05 s TYR 98 CO 0.10 -0.18 0.34 -0.06 -1.57 0.00 0.00 175.55 174.18 1x05 s PHE 99 N 1.69 3.25 -0.12 2.71 0.08 -1.26 -2.25 117.98 122.07 1x05 s PHE 99 Ca -0.01 -0.79 -0.00 0.00 0.12 0.00 0.00 56.93 56.25 1x05 s PHE 99 Cb -0.13 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 1x05 s PHE 99 CO -0.03 -0.70 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.78 1x05 s LEU 100 N 1.65 2.86 -0.09 -0.37 2.01 -1.09 -2.36 118.68 121.29 1x05 s LEU 100 Ca 0.04 -0.25 -0.15 0.00 0.01 0.00 0.00 54.13 53.78 1x05 s LEU 100 Cb -0.22 -1.65 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1x05 s LEU 100 CO 0.08 0.20 0.39 -1.58 1.01 0.00 0.00 176.35 176.45 1x05 s GLN 101 N 0.17 4.15 -0.18 1.70 0.74 -1.12 -2.54 119.66 122.58 1x05 s GLN 101 Ca -0.06 0.32 -0.09 0.00 0.05 0.00 0.00 55.36 55.58 1x05 s GLN 101 Cb -0.15 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1x05 s GLN 101 CO 0.04 0.37 0.11 0.00 -0.55 0.00 0.00 175.29 175.26 1x05 s ALA 102 N -0.02 3.61 0.06 1.58 0.00 0.55 -3.52 121.76 124.02 1x05 s ALA 102 Ca 0.22 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1x05 s ALA 102 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1x05 s ALA 102 CO 0.09 0.22 1.20 0.00 0.00 0.00 0.00 175.76 177.27 1x05 h ALA 103 N 6.47 -0.23 -1.70 0.00 0.00 -1.89 -3.38 119.26 118.53 1x05 h ALA 103 Ca -0.41 0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.09 1x05 h ALA 103 Cb 1.16 1.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1x05 h ALA 103 CO 0.72 -0.38 -0.34 0.95 0.00 0.00 0.00 179.25 180.20 1x05 s THR 104 N -3.91 3.60 -1.12 0.00 -4.23 -1.26 -4.80 115.64 103.93 1x05 s THR 104 Ca -0.04 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.59 1x05 s THR 104 Cb 0.04 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.88 1x05 s THR 104 CO 0.22 -0.11 1.71 -0.81 -0.54 0.00 0.00 174.62 175.09 1x05 n PRO 105 N -1.64 0.09 0.03 3.99 -0.04 -1.26 -2.93 135.00 133.23 1x05 n PRO 105 Ca 0.02 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1x05 n PRO 105 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.28 -0.41 0.54 3.64 -1.94 -3.31 116.57 115.36 1x05 h LYS 106 Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1x05 h LYS 106 Cb 0.33 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1x05 h LYS 106 CO 0.00 1.23 0.27 1.49 -2.27 0.00 0.00 179.45 180.16 1x05 h GLU 107 N -0.27 0.55 -0.90 1.90 4.57 -1.90 -0.01 114.58 118.52 1x05 h GLU 107 Ca -0.27 -0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.08 1x05 h GLU 107 Cb 1.78 -0.12 -0.12 0.00 -0.16 0.00 0.00 28.75 30.13 1x05 h GLU 107 CO 0.09 0.38 0.40 -0.09 -1.18 0.00 0.00 179.01 178.61 1x05 h ARG 108 N 0.55 0.41 -0.11 1.92 2.43 -1.68 0.94 114.38 118.85 1x05 h ARG 108 Ca 0.15 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 1x05 h ARG 108 Cb -0.04 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1x05 h ARG 108 CO -0.03 0.27 -0.76 1.15 -1.51 0.00 0.00 179.97 179.09 1x05 h THR 109 N 0.42 1.30 0.47 0.20 2.02 -1.49 -2.97 112.91 112.86 1x05 h THR 109 Ca 0.56 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1x05 h THR 109 Cb 1.04 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1x05 h THR 109 CO -0.51 0.62 -0.23 -0.33 0.37 0.00 0.00 175.52 175.44 1x05 h GLU 110 N 0.40 -0.61 -0.39 6.66 5.08 0.12 -2.00 114.58 123.85 1x05 h GLU 110 Ca -0.06 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1x05 h GLU 110 Cb 1.40 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.72 1x05 h GLU 110 CO 0.16 -0.38 -0.49 -1.49 -1.00 0.00 0.00 179.01 175.80 1x05 h TRP 111 N -0.68 -1.52 -0.37 4.33 4.06 0.67 1.56 115.95 124.00 1x05 h TRP 111 Ca -0.06 0.08 0.03 0.00 2.06 0.00 0.00 58.89 61.00 1x05 h TRP 111 Cb 0.51 0.71 -0.05 0.00 -1.00 0.00 0.00 29.16 29.33 1x05 h TRP 111 CO -0.03 -0.43 -0.24 0.82 -3.56 0.00 0.00 178.44 175.01 1x05 h ILE 112 N -0.33 0.00 -0.75 1.49 2.04 -1.42 1.76 117.51 120.29 1x05 h ILE 112 Ca 0.07 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.11 1x05 h ILE 112 Cb 0.51 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1x05 h ILE 112 CO -0.54 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.23 1x05 h LYS 113 N -0.02 0.24 0.30 2.37 1.57 -0.50 0.48 116.57 121.00 1x05 h LYS 113 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1x05 h LYS 113 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1x05 h LYS 113 CO -0.36 0.16 -0.14 0.00 -0.57 0.00 0.00 179.45 178.53 1x05 h ALA 114 N 1.64 -0.40 -0.53 3.86 0.00 1.33 0.27 119.26 125.42 1x05 h ALA 114 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x05 h ALA 114 Cb 1.10 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1x05 h ALA 114 CO -0.09 -0.61 0.34 0.82 0.00 0.00 0.00 179.25 179.71 1x05 h ILE 115 N -0.63 1.15 -0.29 0.00 2.04 0.34 -2.18 117.51 117.94 1x05 h ILE 115 Ca -0.04 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1x05 h ILE 115 Cb 0.45 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1x05 h ILE 115 CO 0.07 0.15 0.10 1.56 0.00 0.00 0.00 178.15 180.03 1x05 h GLN 116 N 0.72 0.23 -0.63 2.37 4.20 -0.03 0.58 115.11 122.55 1x05 h GLN 116 Ca 0.19 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.00 1x05 h GLN 116 Cb -0.04 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.60 1x05 h GLN 116 CO -0.04 0.15 0.18 1.98 -0.67 0.00 0.00 178.83 180.43 1x05 h MET 117 N 0.23 0.31 0.24 1.46 1.85 -0.02 0.96 114.93 119.97 1x05 h MET 117 Ca 0.13 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1x05 h MET 117 Cb 0.10 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1x05 h MET 117 CO -0.13 0.21 -0.12 0.00 -0.40 0.00 0.00 176.91 176.47 1x05 h ALA 118 N 1.48 -0.52 -1.19 0.39 0.00 -0.80 -0.98 119.26 117.64 1x05 h ALA 118 Ca 0.33 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.55 1x05 h ALA 118 Cb 0.48 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 1x05 h ALA 118 CO -0.38 -0.49 0.75 0.66 0.00 0.00 0.00 179.25 179.78 1x05 h SER 119 N -0.64 0.34 -0.13 0.00 4.64 0.29 0.79 113.55 118.83 1x05 h SER 119 Ca -0.03 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1x05 h SER 119 Cb 0.25 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1x05 h SER 119 CO 0.05 -0.14 -0.11 0.03 -0.87 0.00 0.00 176.83 175.80 1x05 h ARG 120 N 0.18 0.30 -6.21 4.77 2.47 0.97 -3.44 114.38 113.42 1x05 h ARG 120 Ca 0.76 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 59.33 1x05 h ARG 120 Cb 2.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.50 1x05 h ARG 120 CO -0.45 0.68 -0.85 -2.37 0.56 0.00 0.00 179.97 177.54 1x05 n THR 121 N -4.62 -1.82 -0.30 2.04 5.66 0.28 -4.67 114.28 110.85 1x05 n THR 121 Ca -0.06 0.42 0.18 0.00 -3.05 0.00 0.00 64.05 61.54 1x05 n THR 121 Cb 0.33 -2.87 0.35 0.00 -1.55 0.00 0.00 70.33 66.59 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 1.43 -1.02 5.25 1.09 0.00 -1.26 -4.67 105.19 106.01 1x05 n GLY 122 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1x05 n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x05 n LYS 123 N -5.18 0.00 -2.18 1.61 3.00 -1.26 -4.78 118.16 109.37 1x05 n LYS 123 Ca 0.25 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.15 1x05 n LYS 123 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.84 1x05 n LYS 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x05 s SER 124 N -2.48 6.86 0.03 3.14 0.01 -1.26 -4.98 113.70 115.02 1x05 s SER 124 Ca 0.00 2.46 -0.27 0.00 1.31 0.00 0.00 55.95 59.44 1x05 s SER 124 Cb 0.00 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.71 1x05 s SER 124 CO 0.00 -0.55 1.23 -0.83 0.41 0.00 0.00 173.24 173.50 1x05 s GLY 125 N 0.28 -0.14 0.75 3.44 0.00 -1.26 -5.17 107.32 105.22 1x05 s GLY 125 Ca 0.56 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 1x05 s GLY 125 CO 0.40 3.67 1.08 2.56 0.00 0.00 0.00 173.10 180.81 1x05 s PRO 126 N -2.17 2.48 -0.02 2.90 0.04 -1.26 -5.08 135.00 131.89 1x05 s PRO 126 Ca 0.24 0.78 0.04 0.00 0.04 0.00 0.00 61.00 62.10 1x05 s PRO 126 Cb 0.00 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1x05 s PRO 126 CO -0.00 -1.38 -0.14 0.45 0.04 0.00 0.00 177.00 175.97 1x05 s SER 127 N -3.86 1.68 -0.39 6.66 0.15 -1.26 -5.09 113.70 111.59 1x05 s SER 127 Ca 0.59 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 57.05 1x05 s SER 127 Cb -0.14 -0.32 0.18 0.00 -1.71 0.00 0.00 66.02 64.03 1x05 s SER 127 CO 0.55 0.14 0.59 -0.55 1.20 0.00 0.00 173.24 175.16 1x05 s SER 128 N -0.11 -1.11 0.00 5.45 0.15 -1.26 -5.37 113.70 111.45 1x05 s SER 128 Ca 0.01 -0.82 0.14 0.00 0.70 0.00 0.00 55.95 55.97 1x05 s SER 128 Cb -0.08 1.75 0.11 0.00 -1.71 0.00 0.00 66.02 66.09 1x05 s SER 128 CO 0.00 -0.20 0.93 0.61 1.20 0.00 0.00 173.24 175.79