#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 -8.15 0.10 1.61 7.64 -1.26 -5.03 113.62 108.53 1x05 n SER 2 Ca 0.00 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1x05 n SER 2 Cb 0.00 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.10 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 -3.91 -0.87 0.00 6.43 7.64 -1.26 -5.10 113.62 116.55 1x05 n SER 3 Ca -0.07 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1x05 n SER 3 Cb 0.64 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 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 0.48 2.89 3.71 0.23 0.00 -1.26 -5.02 105.19 106.21 1x05 n GLY 4 Ca 0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 7.17 0.06 1.61 0.15 -1.26 -4.85 113.70 116.59 1x05 s SER 5 Ca 0.00 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1x05 s SER 5 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1x05 s SER 5 CO 0.00 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.02 1x05 n SER 6 N 3.99 -0.05 0.00 5.45 7.64 -1.26 -5.16 113.62 124.24 1x05 n SER 6 Ca 0.03 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x05 n SER 6 Cb 0.51 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 7 N 1.46 0.54 1.42 0.23 0.00 -1.26 -5.09 105.19 102.49 1x05 n GLY 7 Ca 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.70 1x05 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x05 n VAL 8 N 0.00 -0.83 -1.53 1.61 0.31 -1.26 -4.74 118.33 111.89 1x05 n VAL 8 Ca 0.00 0.88 -0.40 0.00 -0.01 0.00 0.00 64.34 64.80 1x05 n VAL 8 Cb 0.00 -1.34 0.02 0.00 -0.91 0.00 0.00 33.84 31.61 1x05 n VAL 8 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x05 n ILE 9 N -4.30 2.33 -4.09 2.52 -0.00 -1.26 -4.96 119.36 109.60 1x05 n ILE 9 Ca -0.09 -0.50 -0.34 0.00 -0.00 0.00 0.00 62.75 61.82 1x05 n ILE 9 Cb 0.66 -0.84 -0.14 0.00 -0.00 0.00 0.00 39.64 39.32 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1x05 s LEU 10 N 0.34 2.69 0.00 1.39 1.98 -1.26 -5.11 118.68 118.71 1x05 s LEU 10 Ca 0.66 -0.44 0.00 0.00 -2.89 0.00 0.00 54.13 51.46 1x05 s LEU 10 Cb -0.53 -1.66 0.00 0.00 0.66 0.00 0.00 46.19 44.66 1x05 s LEU 10 CO 0.55 0.01 0.00 0.29 -1.89 0.00 0.00 176.35 175.32 1x05 n LYS 11 N 4.56 -0.32 -0.00 1.98 5.02 -1.26 -4.97 118.16 123.17 1x05 n LYS 11 Ca -0.19 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.15 1x05 n LYS 11 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.91 0.99 -0.04 1.97 1.02 -1.26 -4.42 120.64 117.99 1x05 n GLU 12 Ca 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 1x05 n GLU 12 Cb 0.00 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1x05 n GLU 13 N -1.74 0.66 -1.17 3.49 0.00 -1.26 -4.13 120.64 116.49 1x05 n GLU 13 Ca -0.01 0.22 -0.27 0.00 0.00 0.00 0.00 57.16 57.10 1x05 n GLU 13 Cb 0.25 -1.71 0.11 0.00 0.00 0.00 0.00 31.44 30.09 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x05 n PHE 14 N -3.02 2.81 -0.39 -1.84 3.72 -1.26 -3.94 117.46 113.54 1x05 n PHE 14 Ca -0.23 -2.31 0.00 0.00 -0.05 0.00 0.00 57.45 54.86 1x05 n PHE 14 Cb 1.08 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.79 1.44 -0.19 -1.08 -4.01 -1.26 -4.74 116.66 106.04 1x05 n ARG 15 Ca 0.55 -0.98 0.00 0.00 -1.04 0.00 0.00 57.85 56.37 1x05 n ARG 15 Cb 1.04 -0.81 0.00 0.00 -3.04 0.00 0.00 32.46 29.66 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 -0.26 0.38 3.49 2.89 0.00 -1.25 -4.89 105.19 105.55 1x05 n GLY 16 Ca 0.00 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 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 0.50 1.70 -0.10 1.61 0.11 -1.25 -5.01 120.40 117.98 1x05 s VAL 17 Ca 0.00 -2.08 -0.07 0.00 -2.93 0.00 0.00 61.98 56.90 1x05 s VAL 17 Cb 0.00 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.12 1x05 s VAL 17 CO 0.00 -0.14 0.16 -0.63 -3.33 0.00 0.00 175.10 171.16 1x05 s ILE 18 N -2.95 5.47 -0.07 7.04 -1.09 -1.26 -2.92 121.20 125.42 1x05 s ILE 18 Ca 0.33 0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.98 1x05 s ILE 18 Cb 0.06 -3.44 -0.07 0.00 -1.58 0.00 0.00 42.46 37.43 1x05 s ILE 18 CO 0.15 0.57 -0.00 2.30 -1.23 0.00 0.00 174.94 176.72 1x05 n ILE 19 N 1.80 0.44 -3.62 2.92 -0.00 -0.94 -4.95 119.36 115.01 1x05 n ILE 19 Ca -0.18 -0.24 -0.13 0.00 -0.00 0.00 0.00 62.75 62.20 1x05 n ILE 19 Cb 0.54 -0.82 -0.07 0.00 -0.00 0.00 0.00 39.64 39.30 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 -2.15 0.75 0.17 6.28 2.20 -1.25 -5.07 119.74 120.66 1x05 s LYS 20 Ca -0.05 0.78 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1x05 s LYS 20 Cb 0.02 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1x05 s LYS 20 CO 0.24 -0.11 -0.03 -0.65 -0.36 0.00 0.00 175.35 174.43 1x05 s GLN 21 N 0.12 1.12 0.00 4.03 -0.21 -1.26 -2.10 119.66 121.37 1x05 s GLN 21 Ca -0.00 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 53.85 1x05 s GLN 21 Cb -0.04 -0.43 0.00 0.00 1.00 0.00 0.00 33.01 33.53 1x05 s GLN 21 CO -0.00 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 1x05 n GLY 22 N -0.25 -1.72 3.77 3.09 0.00 -1.09 -5.04 105.19 103.96 1x05 n GLY 22 Ca -0.08 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -2.23 1.70 -0.50 0.00 1.43 0.17 -4.88 118.68 114.38 1x05 s LEU 24 Ca 0.28 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1x05 s LEU 24 Cb -0.12 0.49 0.13 0.00 0.03 0.00 0.00 46.19 46.71 1x05 s LEU 24 CO 0.20 -0.74 0.41 -0.76 0.23 0.00 0.00 176.35 175.69 1x05 s LEU 25 N -3.01 5.89 -0.43 1.79 2.01 -1.25 -0.98 118.68 122.70 1x05 s LEU 25 Ca 0.20 -1.89 -0.22 0.00 0.01 0.00 0.00 54.13 52.22 1x05 s LEU 25 Cb 0.07 -2.08 0.02 0.00 0.01 0.00 0.00 46.19 44.20 1x05 s LEU 25 CO -0.01 -0.75 0.72 -0.75 1.01 0.00 0.00 176.35 176.58 1x05 s LYS 26 N 1.41 3.40 0.98 1.70 2.20 -1.13 -2.98 119.74 125.32 1x05 s LYS 26 Ca 0.05 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.37 1x05 s LYS 26 Cb -0.27 -3.93 0.18 0.00 -1.51 0.00 0.00 37.83 32.30 1x05 s LYS 26 CO 0.00 -1.04 1.10 -1.14 -0.36 0.00 0.00 175.35 173.91 1x05 s GLN 27 N 3.08 0.60 0.00 4.03 0.74 -1.01 -4.28 119.66 122.81 1x05 s GLN 27 Ca 0.27 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.17 1x05 s GLN 27 Cb -0.13 -1.76 0.00 0.00 1.10 0.00 0.00 33.01 32.22 1x05 s GLN 27 CO 0.21 -2.61 0.00 0.41 -0.55 0.00 0.00 175.29 172.75 1x05 n GLY 28 N -1.29 -0.79 1.62 2.59 0.00 -1.26 -4.79 105.19 101.26 1x05 n GLY 28 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.48 -0.11 1.61 -0.00 -1.26 -4.96 115.22 109.02 1x05 n HIS 29 Ca 0.00 0.26 -0.21 0.00 -0.00 0.00 0.00 57.72 57.77 1x05 n HIS 29 Cb 0.00 0.36 -0.09 0.00 -0.00 0.00 0.00 29.99 30.26 1x05 n HIS 29 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1x05 n ARG 30 N -3.43 0.50 -3.59 1.57 0.00 -1.26 -5.03 116.66 105.42 1x05 n ARG 30 Ca 0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 57.85 58.01 1x05 n ARG 30 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 32.46 31.07 1x05 n ARG 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x05 s ARG 31 N -2.42 0.51 0.00 -0.14 3.00 -1.26 -5.17 118.95 113.47 1x05 s ARG 31 Ca -0.31 1.10 0.00 0.00 -1.00 0.00 0.00 55.73 55.52 1x05 s ARG 31 Cb 0.11 0.47 0.00 0.00 0.00 0.00 0.00 34.95 35.52 1x05 s ARG 31 CO 0.43 -0.14 0.00 1.63 0.00 0.00 0.00 175.30 177.21 1x05 n LYS 32 N 4.78 0.00 -3.65 5.12 4.76 -1.26 -4.89 118.16 123.02 1x05 n LYS 32 Ca -0.14 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.92 1x05 n LYS 32 Cb 0.54 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.62 1x05 n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1x05 s ASN 33 N -0.70 5.87 -0.28 4.39 -0.87 -1.26 -4.87 114.94 117.22 1x05 s ASN 33 Ca 0.00 -0.02 -0.38 0.00 -1.57 0.00 0.00 52.86 50.90 1x05 s ASN 33 Cb 0.00 -2.08 -0.14 0.00 -0.02 0.00 0.00 41.25 39.02 1x05 s ASN 33 CO 0.00 -0.01 1.93 0.79 -2.57 0.00 0.00 177.10 177.24 1x05 n TRP 34 N 4.81 1.93 -4.69 2.20 7.02 -1.26 -4.84 117.44 122.61 1x05 n TRP 34 Ca -0.15 0.36 -0.32 0.00 -1.02 0.00 0.00 57.50 56.38 1x05 n TRP 34 Cb 0.52 -2.51 -0.12 0.00 -2.42 0.00 0.00 31.31 26.77 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 4.62 2.39 0.17 -0.99 1.02 -1.26 -5.03 119.74 120.67 1x05 s LYS 35 Ca 1.02 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 55.97 1x05 s LYS 35 Cb -0.95 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 1x05 s LYS 35 CO 0.58 0.59 0.79 0.08 -0.92 0.00 0.00 175.35 176.47 1x05 s VAL 36 N -0.87 4.34 -0.05 3.17 1.01 -1.26 -2.83 120.40 123.90 1x05 s VAL 36 Ca 0.14 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.60 1x05 s VAL 36 Cb -0.11 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1x05 s VAL 36 CO 0.04 0.52 0.57 -0.13 0.00 0.00 0.00 175.10 176.10 1x05 s ARG 37 N -1.16 0.93 0.19 2.72 0.52 -0.15 -4.75 118.95 117.24 1x05 s ARG 37 Ca 0.36 0.18 -0.30 0.00 -0.52 0.00 0.00 55.73 55.45 1x05 s ARG 37 Cb -0.23 0.43 -0.08 0.00 0.52 0.00 0.00 34.95 35.59 1x05 s ARG 37 CO 0.27 -0.27 0.96 0.21 0.02 0.00 0.00 175.30 176.49 1x05 s LYS 38 N -1.12 4.78 -0.11 3.54 2.20 -0.23 0.46 119.74 129.27 1x05 s LYS 38 Ca -0.11 1.50 -0.01 0.00 -0.36 0.00 0.00 55.97 56.99 1x05 s LYS 38 Cb -0.02 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1x05 s LYS 38 CO 0.08 0.37 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.36 1x05 s PHE 39 N -0.71 1.03 -0.12 4.03 0.40 0.13 -1.34 117.98 121.40 1x05 s PHE 39 Ca 0.44 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1x05 s PHE 39 Cb -0.26 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 1x05 s PHE 39 CO 0.32 -0.44 -0.13 0.42 0.70 0.00 0.00 175.22 176.08 1x05 s ILE 40 N 1.86 3.04 -0.11 0.64 1.01 0.52 -2.66 121.20 125.48 1x05 s ILE 40 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1x05 s ILE 40 Cb -0.13 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1x05 s ILE 40 CO -0.07 0.54 -0.01 -0.22 0.00 0.00 0.00 174.94 175.18 1x05 s LEU 41 N 0.18 3.45 -0.03 2.97 2.96 -0.89 -0.13 118.68 127.18 1x05 s LEU 41 Ca -0.08 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1x05 s LEU 41 Cb -0.15 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1x05 s LEU 41 CO 0.05 0.30 0.04 0.00 -1.32 0.00 0.00 176.35 175.42 1x05 s ARG 42 N -0.40 0.02 -0.07 1.98 1.70 -0.29 -2.21 118.95 119.68 1x05 s ARG 42 Ca 0.07 0.26 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 1x05 s ARG 42 Cb -0.12 -0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1x05 s ARG 42 CO 0.02 -0.25 0.16 -1.83 -1.08 0.00 0.00 175.30 172.32 1x05 s GLU 43 N 1.64 3.44 -0.56 3.89 -1.05 -1.15 -0.54 118.70 124.37 1x05 s GLU 43 Ca -0.02 -0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 54.48 1x05 s GLU 43 Cb -0.13 -3.15 0.01 0.00 -0.44 0.00 0.00 34.13 30.43 1x05 s GLU 43 CO -0.03 0.73 0.64 -3.47 0.95 0.00 0.00 175.26 174.08 1x05 n ASP 44 N 1.51 -7.60 -4.79 0.83 2.03 -1.26 -3.77 116.55 103.50 1x05 n ASP 44 Ca -0.16 0.20 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 1x05 n ASP 44 Cb 0.54 -4.95 0.13 0.00 -0.72 0.00 0.00 41.12 36.12 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 -2.85 1.21 -0.69 -0.67 0.04 -1.26 -4.22 135.00 126.55 1x05 s PRO 45 Ca 0.16 0.31 -0.18 0.00 0.04 0.00 0.00 61.00 61.33 1x05 s PRO 45 Cb -0.04 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1x05 s PRO 45 CO 0.78 -2.15 0.79 0.00 0.04 0.00 0.00 177.00 176.45 1x05 s ALA 46 N -3.27 3.53 0.11 8.56 0.00 -1.25 -4.71 121.76 124.73 1x05 s ALA 46 Ca 0.64 -2.53 -0.06 0.00 0.00 0.00 0.00 51.96 50.01 1x05 s ALA 46 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1x05 s ALA 46 CO 0.53 -2.45 0.15 0.71 0.00 0.00 0.00 175.76 174.71 1x05 s TYR 47 N 2.22 0.38 -0.20 0.00 2.02 0.30 -2.05 117.35 120.02 1x05 s TYR 47 Ca 0.16 -0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 56.04 1x05 s TYR 47 Cb -0.18 -0.18 0.06 0.00 -0.40 0.00 0.00 41.96 41.25 1x05 s TYR 47 CO 0.01 -0.55 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.26 1x05 s LEU 48 N -2.93 1.73 -0.12 -1.29 1.98 -1.11 -1.14 118.68 115.80 1x05 s LEU 48 Ca 0.11 -0.93 -0.04 0.00 -2.89 0.00 0.00 54.13 50.39 1x05 s LEU 48 Cb 0.05 -0.84 -0.04 0.00 0.66 0.00 0.00 46.19 46.03 1x05 s LEU 48 CO -0.06 -0.27 0.03 -1.00 -1.89 0.00 0.00 176.35 173.16 1x05 s HIS 49 N 1.67 3.22 -0.12 5.38 3.76 0.81 -2.52 115.29 127.49 1x05 s HIS 49 Ca -0.03 0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1x05 s HIS 49 Cb -0.17 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1x05 s HIS 49 CO -0.07 0.37 -0.10 1.52 -0.85 0.00 0.00 174.74 175.61 1x05 s TYR 50 N -0.45 1.70 0.21 1.40 -0.85 -1.25 0.19 117.35 118.29 1x05 s TYR 50 Ca 0.09 -0.89 0.08 0.00 -0.52 0.00 0.00 57.07 55.83 1x05 s TYR 50 Cb -0.12 -1.35 -0.04 0.00 0.38 0.00 0.00 41.96 40.83 1x05 s TYR 50 CO 0.02 -0.56 0.03 0.71 -1.52 0.00 0.00 175.55 174.23 1x05 s TYR 51 N 1.64 2.85 0.36 -3.49 1.51 -0.45 -1.89 117.35 117.88 1x05 s TYR 51 Ca 0.05 -0.15 -0.28 0.00 -1.01 0.00 0.00 57.07 55.67 1x05 s TYR 51 Cb -0.13 -1.34 -0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1x05 s TYR 51 CO -0.09 0.55 1.48 -3.47 -1.11 0.00 0.00 175.55 172.90 1x05 n ASP 52 N -0.50 3.64 -0.03 2.29 -0.08 -1.26 -1.07 116.55 119.55 1x05 n ASP 52 Ca -0.08 1.21 -0.15 0.00 -1.51 0.00 0.00 54.79 54.26 1x05 n ASP 52 Cb 0.57 -1.59 -0.11 0.00 2.34 0.00 0.00 41.12 42.32 1x05 n ASP 52 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x05 h PRO 53 N 3.23 0.19 -1.03 -0.67 0.13 -1.92 -3.19 132.00 128.74 1x05 h PRO 53 Ca -0.49 -0.19 0.27 0.00 -0.87 0.00 0.00 66.00 64.72 1x05 h PRO 53 Cb 1.25 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1x05 h PRO 53 CO 0.67 0.89 0.68 0.00 -0.23 0.00 0.00 178.00 180.01 1x05 h ALA 54 N 0.30 2.39 0.00 -0.56 0.00 -1.94 -3.45 119.26 116.00 1x05 h ALA 54 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x05 h ALA 54 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x05 h ALA 54 CO 0.05 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.95 1x05 n GLY 55 N -1.53 4.07 0.00 0.00 0.00 -1.20 -5.20 105.19 101.32 1x05 n GLY 55 Ca 0.24 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.38 0.00 0.10 4.61 0.00 -1.26 -4.60 120.51 117.99 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 0.39 0.00 0.00 0.00 177.50 177.89 1x05 n GLU 57 N -0.00 0.00 -2.38 0.00 -0.58 -1.26 -5.00 120.64 111.41 1x05 n GLU 57 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1x05 n GLU 57 Cb 0.00 -0.08 -0.01 0.00 -0.57 0.00 0.00 31.44 30.78 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1x05 s ASP 58 N -4.99 6.34 0.11 1.62 1.47 -1.26 -5.03 116.67 114.94 1x05 s ASP 58 Ca 0.00 1.22 -0.30 0.00 1.18 0.00 0.00 52.55 54.64 1x05 s ASP 58 Cb 0.00 -2.37 -0.06 0.00 -0.34 0.00 0.00 42.92 40.14 1x05 s ASP 58 CO 0.00 -0.65 1.14 -2.16 0.68 0.00 0.00 175.17 174.18 1x05 s PRO 59 N -4.65 4.51 0.54 2.11 0.04 -1.26 -4.78 135.00 131.51 1x05 s PRO 59 Ca 0.52 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.52 1x05 s PRO 59 Cb -0.10 -3.32 1.41 0.00 0.04 0.00 0.00 34.50 32.53 1x05 s PRO 59 CO 0.44 -0.09 2.08 -0.07 0.04 0.00 0.00 177.00 179.40 1x05 h LEU 60 N 5.97 0.00 0.00 -3.56 3.38 -1.76 -3.46 115.31 115.88 1x05 h LEU 60 Ca -0.43 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.73 1x05 h LEU 60 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1x05 h LEU 60 CO 0.77 0.00 0.47 0.61 0.09 0.00 0.00 178.44 180.38 1x05 n GLY 61 N -1.55 0.33 3.04 0.83 0.00 -1.26 -5.06 105.19 101.52 1x05 n GLY 61 Ca 0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.49 0.40 -0.16 4.61 0.00 -1.26 -3.93 121.76 119.93 1x05 s ALA 62 Ca 0.15 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1x05 s ALA 62 Cb -0.00 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.27 1x05 s ALA 62 CO -0.01 -0.13 -0.07 0.42 0.00 0.00 0.00 175.76 175.98 1x05 s ILE 63 N -1.78 1.18 0.17 0.00 1.01 -1.05 -4.98 121.20 115.76 1x05 s ILE 63 Ca -0.10 -0.60 -0.32 0.00 0.00 0.00 0.00 60.65 59.64 1x05 s ILE 63 Cb -0.07 -1.30 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1x05 s ILE 63 CO -0.01 0.20 1.74 -2.28 0.00 0.00 0.00 174.94 174.59 1x05 s HIS 64 N 1.61 2.62 -0.18 3.97 2.46 -1.26 -2.76 115.29 121.75 1x05 s HIS 64 Ca 0.02 0.24 0.09 0.00 0.47 0.00 0.00 55.06 55.87 1x05 s HIS 64 Cb -0.15 -4.13 -0.12 0.00 -0.13 0.00 0.00 32.58 28.06 1x05 s HIS 64 CO -0.08 -4.41 0.27 1.28 -2.47 0.00 0.00 174.74 169.33 1x05 n LEU 65 N 4.68 0.17 -0.15 8.88 4.77 -0.87 -4.29 117.00 130.20 1x05 n LEU 65 Ca 0.16 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 1x05 n LEU 65 Cb 0.37 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1x05 n LEU 65 CO 0.64 0.04 0.50 -0.09 -1.33 0.00 0.00 177.39 177.15 1x05 h ARG 66 N 0.00 -0.24 -1.49 3.23 2.43 -1.83 -2.76 114.38 113.72 1x05 h ARG 66 Ca 0.00 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.57 1x05 h ARG 66 Cb 0.32 0.05 -0.40 0.00 -0.42 0.00 0.00 29.97 29.52 1x05 h ARG 66 CO 0.00 -0.16 -0.46 0.41 -1.51 0.00 0.00 179.97 178.25 1x05 n GLY 67 N -1.27 5.98 4.01 2.80 0.00 -1.26 -4.84 105.19 110.61 1x05 n GLY 67 Ca -0.02 -2.71 -0.21 0.00 0.00 0.00 0.00 46.02 43.08 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -2.87 0.22 -0.07 0.00 1.01 0.53 -4.89 120.40 114.33 1x05 s VAL 69 Ca 0.63 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1x05 s VAL 69 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1x05 s VAL 69 CO 0.41 -0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.49 1x05 s VAL 70 N -0.86 3.60 0.32 2.92 1.01 -1.26 -0.60 120.40 125.54 1x05 s VAL 70 Ca -0.08 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1x05 s VAL 70 Cb -0.06 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1x05 s VAL 70 CO -0.00 0.60 0.71 0.28 0.00 0.00 0.00 175.10 176.69 1x05 s THR 71 N -0.79 0.00 0.25 3.92 -1.32 -0.18 -4.96 115.64 112.56 1x05 s THR 71 Ca 0.12 -1.07 0.10 0.00 -1.21 0.00 0.00 61.69 59.63 1x05 s THR 71 Cb -0.11 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 1x05 s THR 71 CO 0.01 0.00 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.93 1x05 s SER 72 N -3.01 4.35 0.05 8.08 0.01 -1.26 -2.00 113.70 119.93 1x05 s SER 72 Ca 0.15 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1x05 s SER 72 Cb -0.05 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1x05 s SER 72 CO 0.10 0.03 0.00 1.33 0.41 0.00 0.00 173.24 175.11 1x05 n VAL 73 N -0.62 0.00 -3.40 3.43 0.24 -1.24 -4.42 118.33 112.33 1x05 n VAL 73 Ca -0.07 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.96 1x05 n VAL 73 Cb 0.58 -1.36 -0.09 0.00 -1.47 0.00 0.00 33.84 31.50 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 -0.14 0.85 -4.06 7.34 2.13 -1.26 -5.00 120.64 120.50 1x05 n GLU 74 Ca 0.00 -3.54 -0.36 0.00 0.66 0.00 0.00 57.16 53.92 1x05 n GLU 74 Cb 0.00 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 29.96 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1x05 s SER 75 N -0.84 5.82 -0.15 4.31 0.01 -1.26 -5.09 113.70 116.51 1x05 s SER 75 Ca 0.33 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1x05 s SER 75 Cb 0.08 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.48 1x05 s SER 75 CO -0.15 0.32 -0.10 0.21 0.41 0.00 0.00 173.24 173.94 1x05 s ASN 76 N -0.53 2.63 -0.25 2.44 2.47 -1.26 -5.07 114.94 115.37 1x05 s ASN 76 Ca 0.11 -0.50 -0.37 0.00 0.42 0.00 0.00 52.86 52.51 1x05 s ASN 76 Cb -0.12 -1.04 0.15 0.00 -1.45 0.00 0.00 41.25 38.80 1x05 s ASN 76 CO 0.02 -0.11 1.31 -0.55 -3.72 0.00 0.00 177.10 174.06 1x05 s SER 77 N 1.57 -0.06 0.00 -4.21 0.15 -1.26 -4.81 113.70 105.08 1x05 s SER 77 Ca 0.04 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x05 s SER 77 Cb -0.13 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1x05 s SER 77 CO -0.09 -0.11 0.00 -3.20 1.20 0.00 0.00 173.24 171.04 1x05 n ASN 78 N -0.05 0.00 0.00 5.45 5.15 -1.26 -5.08 115.26 119.47 1x05 n ASN 78 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1x05 n ASN 78 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.14 -1.84 0.15 8.20 0.00 -1.26 -4.63 105.19 105.66 1x05 n GLY 79 Ca 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.01 -0.16 -1.68 1.61 5.12 -1.26 -4.30 116.66 115.99 1x05 n ARG 80 Ca 0.00 1.16 -0.45 0.00 -1.93 0.00 0.00 57.85 56.63 1x05 n ARG 80 Cb 0.00 -1.73 -0.04 0.00 -1.16 0.00 0.00 32.46 29.54 1x05 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x05 n LYS 81 N -3.80 2.21 -3.48 5.56 4.01 -1.26 -4.95 118.16 116.46 1x05 n LYS 81 Ca 0.01 0.80 -0.28 0.00 -0.51 0.00 0.00 58.31 58.33 1x05 n LYS 81 Cb 0.09 -2.56 -0.11 0.00 -0.51 0.00 0.00 35.03 31.95 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 0.83 2.21 -0.01 4.39 0.01 -1.26 -4.16 113.70 115.71 1x05 s SER 82 Ca 0.76 -2.93 -0.24 0.00 1.31 0.00 0.00 55.95 54.85 1x05 s SER 82 Cb -0.65 -0.58 -0.17 0.00 0.21 0.00 0.00 66.02 64.83 1x05 s SER 82 CO 0.39 -0.20 1.16 -0.33 0.41 0.00 0.00 173.24 174.68 1x05 h GLU 83 N 5.97 -0.30 -3.49 12.44 5.08 -1.92 -3.44 114.58 128.92 1x05 h GLU 83 Ca 0.20 0.02 -0.38 0.00 -1.00 0.00 0.00 59.36 58.19 1x05 h GLU 83 Cb 0.91 0.07 -0.38 0.00 0.50 0.00 0.00 28.75 29.85 1x05 h GLU 83 CO 0.39 0.05 -0.75 -1.21 -1.00 0.00 0.00 179.01 176.49 1x05 s GLU 84 N -4.36 0.17 0.00 2.33 2.02 -1.26 -5.14 118.70 112.46 1x05 s GLU 84 Ca -0.14 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1x05 s GLU 84 Cb 0.02 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.62 1x05 s GLU 84 CO 0.54 -0.29 0.00 0.39 0.02 0.00 0.00 175.26 175.93 1x05 n GLU 85 N 5.03 2.91 -2.91 1.61 1.02 -1.26 -4.64 120.64 122.39 1x05 n GLU 85 Ca -0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1x05 n GLU 85 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.87 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x05 s ASN 86 N -1.29 6.57 0.31 1.62 0.01 -1.25 -4.87 114.94 116.04 1x05 s ASN 86 Ca 0.00 0.36 0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1x05 s ASN 86 Cb 0.00 -2.41 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 1x05 s ASN 86 CO 0.00 -0.79 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.01 1x05 s LEU 87 N 3.24 2.49 -0.02 0.60 1.43 -1.26 0.19 118.68 125.36 1x05 s LEU 87 Ca 0.33 -1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 51.95 1x05 s LEU 87 Cb -0.13 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1x05 s LEU 87 CO 0.18 -0.40 0.48 0.72 0.23 0.00 0.00 176.35 177.56 1x05 s PHE 88 N -2.99 -0.40 -0.12 0.29 -0.12 -0.91 -3.63 117.98 110.09 1x05 s PHE 88 Ca 0.32 0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 57.75 1x05 s PHE 88 Cb 0.06 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1x05 s PHE 88 CO 0.14 -0.52 0.14 -2.00 -0.05 0.00 0.00 175.22 172.93 1x05 s GLU 89 N -1.50 3.46 -0.25 1.99 2.12 -0.84 -2.70 118.70 120.97 1x05 s GLU 89 Ca -0.11 -0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.08 1x05 s GLU 89 Cb -0.02 -3.19 0.08 0.00 0.26 0.00 0.00 34.13 31.25 1x05 s GLU 89 CO 0.05 0.77 0.05 0.42 -0.54 0.00 0.00 175.26 176.01 1x05 s ILE 90 N -1.00 0.80 0.29 -3.70 1.01 -0.94 -1.01 121.20 116.65 1x05 s ILE 90 Ca 0.15 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 1x05 s ILE 90 Cb -0.12 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.86 1x05 s ILE 90 CO 0.04 -0.39 0.80 -0.63 0.00 0.00 0.00 174.94 174.75 1x05 s ILE 91 N 1.70 4.50 0.49 2.92 1.01 0.23 -3.00 121.20 129.06 1x05 s ILE 91 Ca 0.03 1.33 0.06 0.00 0.00 0.00 0.00 60.65 62.07 1x05 s ILE 91 Cb -0.17 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1x05 s ILE 91 CO -0.15 0.04 0.31 0.42 0.00 0.00 0.00 174.94 175.56 1x05 s THR 92 N -1.72 1.93 0.66 2.92 -4.23 -0.31 0.20 115.64 115.08 1x05 s THR 92 Ca 0.49 -1.56 0.42 0.00 -1.18 0.00 0.00 61.69 59.86 1x05 s THR 92 Cb -0.15 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.63 1x05 s THR 92 CO 0.20 0.00 2.32 0.00 -0.54 0.00 0.00 174.62 176.60 1x05 h ALA 93 N 1.02 1.08 -0.02 3.99 0.00 -1.62 1.03 119.26 124.74 1x05 h ALA 93 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 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 0.62 -0.03 -0.09 -3.47 0.00 0.00 0.00 179.25 176.27 1x05 n ASP 94 N -3.14 1.61 0.00 0.00 -0.08 -1.26 -4.90 116.55 108.78 1x05 n ASP 94 Ca -0.03 -1.41 0.00 0.00 -1.51 0.00 0.00 54.79 51.84 1x05 n ASP 94 Cb 0.10 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.62 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 0.11 0.00 -1.81 -0.67 1.02 0.36 -4.98 120.64 114.67 1x05 n GLU 95 Ca 0.16 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1x05 n GLU 95 Cb 0.39 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.30 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 -3.70 2.21 0.01 2.62 1.01 -1.26 -4.54 120.40 116.76 1x05 s VAL 96 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1x05 s VAL 96 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1x05 s VAL 96 CO 0.00 0.02 0.06 -1.00 0.00 0.00 0.00 175.10 174.17 1x05 s HIS 97 N 0.68 3.20 -0.02 5.22 3.76 -1.26 -1.17 115.29 125.70 1x05 s HIS 97 Ca 0.69 0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.73 1x05 s HIS 97 Cb -0.47 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.54 1x05 s HIS 97 CO 0.38 0.52 0.05 0.71 -0.85 0.00 0.00 174.74 175.55 1x05 s TYR 98 N -1.20 -0.03 -0.35 1.40 2.02 -1.16 -4.95 117.35 113.08 1x05 s TYR 98 Ca 0.23 0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 57.03 1x05 s TYR 98 Cb -0.12 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.36 1x05 s TYR 98 CO 0.14 -0.08 0.12 -0.06 -1.57 0.00 0.00 175.55 174.11 1x05 s PHE 99 N 0.70 3.27 -0.12 2.71 0.08 -1.26 -2.20 117.98 121.16 1x05 s PHE 99 Ca -0.06 -1.43 -0.00 0.00 0.12 0.00 0.00 56.93 55.57 1x05 s PHE 99 Cb -0.08 -2.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1x05 s PHE 99 CO -0.02 -0.74 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.74 1x05 s LEU 100 N 1.41 2.84 -0.24 -0.37 2.01 -1.10 -2.40 118.68 120.83 1x05 s LEU 100 Ca -0.01 -0.25 -0.13 0.00 0.01 0.00 0.00 54.13 53.75 1x05 s LEU 100 Cb -0.20 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 1x05 s LEU 100 CO 0.03 0.21 0.28 -1.58 1.01 0.00 0.00 176.35 176.30 1x05 s GLN 101 N 0.08 4.09 -0.12 1.70 0.74 -1.16 -2.14 119.66 122.85 1x05 s GLN 101 Ca -0.04 -0.06 -0.15 0.00 0.05 0.00 0.00 55.36 55.16 1x05 s GLN 101 Cb -0.14 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 1x05 s GLN 101 CO 0.04 -0.05 0.35 0.00 -0.55 0.00 0.00 175.29 175.08 1x05 s ALA 102 N 1.38 3.59 0.11 1.58 0.00 0.51 -3.84 121.76 125.09 1x05 s ALA 102 Ca 0.13 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1x05 s ALA 102 Cb -0.15 -2.43 -0.10 0.00 0.00 0.00 0.00 23.12 20.44 1x05 s ALA 102 CO 0.07 0.16 1.49 0.00 0.00 0.00 0.00 175.76 177.48 1x05 h ALA 103 N 6.27 -0.77 -1.66 0.00 0.00 -1.91 -3.31 119.26 117.89 1x05 h ALA 103 Ca -0.44 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 53.96 1x05 h ALA 103 Cb 1.18 1.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 1x05 h ALA 103 CO 0.72 -0.98 -0.41 0.95 0.00 0.00 0.00 179.25 179.53 1x05 s THR 104 N -5.35 3.01 -0.65 0.00 -4.23 -1.26 -4.74 115.64 102.42 1x05 s THR 104 Ca -0.13 -1.37 0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1x05 s THR 104 Cb 0.07 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 71.10 1x05 s THR 104 CO 0.54 -0.07 1.74 -0.81 -0.54 0.00 0.00 174.62 175.48 1x05 n PRO 105 N -1.46 0.20 -0.04 3.99 -0.04 -1.26 -2.82 135.00 133.57 1x05 n PRO 105 Ca 0.01 0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.62 1x05 n PRO 105 Cb 0.61 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.09 -0.14 0.54 3.64 -1.95 -3.17 116.57 115.58 1x05 h LYS 106 Ca 0.00 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1x05 h LYS 106 Cb 0.53 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1x05 h LYS 106 CO 0.00 0.96 0.01 1.49 -2.27 0.00 0.00 179.45 179.64 1x05 h GLU 107 N -0.73 0.06 -0.90 1.90 4.57 -1.94 0.16 114.58 117.70 1x05 h GLU 107 Ca -0.03 -0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.38 1x05 h GLU 107 Cb 1.04 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.48 1x05 h GLU 107 CO 0.03 0.04 0.39 -0.09 -1.18 0.00 0.00 179.01 178.20 1x05 h ARG 108 N 0.06 0.37 -0.12 1.92 1.12 -1.64 1.11 114.38 117.20 1x05 h ARG 108 Ca 0.06 -0.02 -0.22 0.00 -1.11 0.00 0.00 59.98 58.69 1x05 h ARG 108 Cb 0.07 -0.08 0.01 0.00 -0.01 0.00 0.00 29.97 29.95 1x05 h ARG 108 CO -0.10 0.24 -0.80 1.15 -3.11 0.00 0.00 179.97 177.35 1x05 h THR 109 N 0.38 1.30 0.17 0.20 2.02 -1.33 -2.85 112.91 112.80 1x05 h THR 109 Ca 0.57 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1x05 h THR 109 Cb 1.10 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1x05 h THR 109 CO -0.54 0.64 -0.08 -0.33 0.37 0.00 0.00 175.52 175.58 1x05 h GLU 110 N 0.46 -0.21 -0.10 6.66 5.08 0.25 -2.28 114.58 124.45 1x05 h GLU 110 Ca -0.06 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1x05 h GLU 110 Cb 1.42 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1x05 h GLU 110 CO 0.16 0.01 -0.51 -1.49 -1.00 0.00 0.00 179.01 176.18 1x05 h TRP 111 N -0.41 -1.50 -0.82 4.33 -0.00 0.98 1.56 115.95 120.09 1x05 h TRP 111 Ca -0.02 0.05 0.07 0.00 -0.00 0.00 0.00 58.89 59.00 1x05 h TRP 111 Cb 0.32 0.67 -0.10 0.00 -0.00 0.00 0.00 29.16 30.05 1x05 h TRP 111 CO -0.01 -0.52 -0.49 0.82 -0.00 0.00 0.00 178.44 178.25 1x05 h ILE 112 N -0.56 0.00 -0.73 1.49 2.04 -1.46 1.66 117.51 119.94 1x05 h ILE 112 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1x05 h ILE 112 Cb 0.64 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1x05 h ILE 112 CO -0.39 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.35 1x05 h LYS 113 N -0.00 0.73 0.33 2.37 1.57 -0.71 0.17 116.57 121.03 1x05 h LYS 113 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1x05 h LYS 113 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1x05 h LYS 113 CO -0.77 0.48 -0.25 0.00 -0.57 0.00 0.00 179.45 178.34 1x05 h ALA 114 N 1.61 -0.57 -0.69 3.86 0.00 1.33 0.63 119.26 125.42 1x05 h ALA 114 Ca 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x05 h ALA 114 Cb 0.28 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1x05 h ALA 114 CO -0.11 -0.84 0.45 0.82 0.00 0.00 0.00 179.25 179.57 1x05 h ILE 115 N -0.58 1.18 -0.21 0.00 5.03 0.14 -2.29 117.51 120.78 1x05 h ILE 115 Ca -0.03 -0.34 0.02 0.00 -0.12 0.00 0.00 64.86 64.40 1x05 h ILE 115 Cb 0.50 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 1x05 h ILE 115 CO -0.00 0.18 0.05 1.56 -0.68 0.00 0.00 178.15 179.25 1x05 h GLN 116 N 0.94 0.13 -0.70 2.37 4.20 -0.19 0.59 115.11 122.45 1x05 h GLN 116 Ca 0.25 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.09 1x05 h GLN 116 Cb -0.10 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.56 1x05 h GLN 116 CO -0.05 0.09 0.24 1.98 -0.67 0.00 0.00 178.83 180.41 1x05 h MET 117 N 0.14 0.36 0.20 1.46 1.85 0.74 1.30 114.93 120.98 1x05 h MET 117 Ca 0.09 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1x05 h MET 117 Cb 0.08 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1x05 h MET 117 CO -0.11 0.24 -0.10 0.00 -0.40 0.00 0.00 176.91 176.54 1x05 h ALA 118 N 1.53 -0.46 -1.26 0.39 0.00 -0.87 -2.86 119.26 115.72 1x05 h ALA 118 Ca 0.38 -0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.61 1x05 h ALA 118 Cb 0.58 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1x05 h ALA 118 CO -0.41 -0.44 0.85 0.66 0.00 0.00 0.00 179.25 179.91 1x05 h SER 119 N -0.59 0.23 -0.48 0.00 4.64 0.33 0.93 113.55 118.60 1x05 h SER 119 Ca -0.03 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1x05 h SER 119 Cb 0.21 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1x05 h SER 119 CO 0.05 -0.04 0.26 0.03 -0.87 0.00 0.00 176.83 176.26 1x05 h ARG 120 N 0.16 0.67 -5.67 4.77 2.47 0.17 -3.43 114.38 113.51 1x05 h ARG 120 Ca 0.70 -0.08 -0.59 0.00 -1.26 0.00 0.00 59.98 58.76 1x05 h ARG 120 Cb 2.28 -0.13 0.15 0.00 -1.65 0.00 0.00 29.97 30.61 1x05 h ARG 120 CO -0.25 0.53 -0.90 -2.37 0.56 0.00 0.00 179.97 177.53 1x05 n THR 121 N -4.67 0.59 0.00 2.04 5.66 0.32 -4.94 114.28 113.28 1x05 n THR 121 Ca 0.02 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1x05 n THR 121 Cb 0.08 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 2.22 0.53 2.37 1.09 0.00 -1.26 -4.99 105.19 105.16 1x05 n GLY 122 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.30 -3.55 0.09 1.61 3.00 -1.26 -5.01 118.16 111.75 1x05 n LYS 123 Ca 0.00 2.79 0.00 0.00 -0.00 0.00 0.00 58.31 61.10 1x05 n LYS 123 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 35.03 30.76 1x05 n LYS 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x05 n SER 124 N 1.25 -0.30 0.00 3.14 7.64 -1.26 -5.10 113.62 118.98 1x05 n SER 124 Ca -0.30 0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1x05 n SER 124 Cb 0.46 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 125 N 1.28 4.59 3.72 0.23 0.00 -1.26 -5.13 105.19 108.62 1x05 n GLY 125 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 3.40 4.47 0.24 1.61 0.04 -1.26 -5.02 135.00 138.48 1x05 s PRO 126 Ca 0.00 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1x05 s PRO 126 Cb 0.00 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 1x05 s PRO 126 CO 0.00 -0.18 0.76 0.45 0.04 0.00 0.00 177.00 178.07 1x05 s SER 127 N 0.85 7.12 0.78 6.66 0.15 -1.26 -5.04 113.70 122.96 1x05 s SER 127 Ca 0.56 1.50 -0.13 0.00 0.70 0.00 0.00 55.95 58.58 1x05 s SER 127 Cb -0.29 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1x05 s SER 127 CO 0.30 0.02 1.17 -0.55 1.20 0.00 0.00 173.24 175.39 1x05 s SER 128 N -1.62 3.96 0.00 5.45 0.15 -1.26 -5.27 113.70 115.10 1x05 s SER 128 Ca 0.44 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.32 1x05 s SER 128 Cb -0.17 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1x05 s SER 128 CO 0.22 -2.41 0.00 0.61 1.20 0.00 0.00 173.24 172.85