#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 -2.32 -1.91 1.61 2.88 -1.26 -5.15 113.62 107.47 1x05 n SER 2 Ca 0.00 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1x05 n SER 2 Cb 0.00 2.27 0.00 0.00 -0.75 0.00 0.00 64.21 65.73 1x05 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x05 n SER 3 N -3.50 -8.41 -0.71 -3.46 2.88 -1.26 -5.03 113.62 94.14 1x05 n SER 3 Ca 0.00 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1x05 n SER 3 Cb 0.00 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x05 n GLY 4 N 1.60 -0.27 3.62 0.46 0.00 -1.26 -5.03 105.19 104.31 1x05 n GLY 4 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x05 s SER 5 N -1.26 5.06 -0.09 1.61 1.04 -1.26 -5.10 113.70 113.70 1x05 s SER 5 Ca 0.00 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 1x05 s SER 5 Cb 0.00 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.64 1x05 s SER 5 CO 0.00 0.32 0.22 -0.55 0.98 0.00 0.00 173.24 174.21 1x05 s SER 6 N -0.52 -0.23 -0.04 7.02 0.15 -1.26 -5.15 113.70 113.67 1x05 s SER 6 Ca 0.09 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1x05 s SER 6 Cb -0.12 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1x05 s SER 6 CO 0.02 -0.13 -0.01 -0.83 1.20 0.00 0.00 173.24 173.49 1x05 s GLY 7 N 0.77 0.33 0.22 9.45 0.00 -1.26 -5.14 107.32 111.69 1x05 s GLY 7 Ca -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 1x05 s GLY 7 CO -0.05 0.63 0.22 0.54 0.00 0.00 0.00 173.10 174.44 1x05 s VAL 8 N 1.12 0.00 0.67 1.40 0.11 -1.26 -5.13 120.40 117.31 1x05 s VAL 8 Ca -0.08 -1.86 -0.17 0.00 -2.93 0.00 0.00 61.98 56.93 1x05 s VAL 8 Cb -0.14 -2.44 -0.13 0.00 -1.53 0.00 0.00 36.38 32.15 1x05 s VAL 8 CO -0.02 0.00 -0.15 -0.38 -3.33 0.00 0.00 175.10 171.23 1x05 n ILE 9 N -0.31 0.41 -3.65 7.04 2.08 -1.26 -4.90 119.36 118.77 1x05 n ILE 9 Ca 0.01 -0.48 -0.39 0.00 0.56 0.00 0.00 62.75 62.46 1x05 n ILE 9 Cb 0.65 -0.16 -0.09 0.00 -0.75 0.00 0.00 39.64 39.29 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 4.62 5.52 0.00 1.39 1.98 -1.26 -5.08 118.68 125.85 1x05 s LEU 10 Ca 0.55 -2.45 -0.04 0.00 -2.89 0.00 0.00 54.13 49.29 1x05 s LEU 10 Cb -0.39 -1.92 0.07 0.00 0.66 0.00 0.00 46.19 44.60 1x05 s LEU 10 CO 0.68 -0.50 0.16 0.29 -1.89 0.00 0.00 176.35 175.09 1x05 n LYS 11 N 4.10 -2.34 -0.07 1.98 5.02 -1.26 -4.96 118.16 120.62 1x05 n LYS 11 Ca 0.03 -0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 55.83 1x05 n LYS 11 Cb 0.40 -0.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.95 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 -2.60 0.67 0.14 1.97 -0.58 -1.26 -3.91 120.64 115.07 1x05 n GLU 12 Ca 0.03 0.30 0.10 0.00 -0.42 0.00 0.00 57.16 57.16 1x05 n GLU 12 Cb 0.11 -1.63 0.51 0.00 -0.57 0.00 0.00 31.44 29.85 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1x05 n GLU 13 N -3.74 0.13 -0.28 3.49 0.28 -1.26 0.22 120.64 119.48 1x05 n GLU 13 Ca -0.39 0.60 0.09 0.00 -0.16 0.00 0.00 57.16 57.30 1x05 n GLU 13 Cb 0.93 -1.89 0.24 0.00 1.43 0.00 0.00 31.44 32.15 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x05 n PHE 14 N -2.16 0.72 -1.03 -1.84 3.72 -1.26 -4.68 117.46 110.94 1x05 n PHE 14 Ca -0.01 -0.48 -0.23 0.00 -0.05 0.00 0.00 57.45 56.69 1x05 n PHE 14 Cb 0.05 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N 1.15 2.53 -3.13 -1.08 5.12 0.13 -4.76 116.66 116.63 1x05 n ARG 15 Ca 0.19 -1.45 -0.05 0.00 -1.93 0.00 0.00 57.85 54.61 1x05 n ARG 15 Cb 0.53 -2.32 0.02 0.00 -1.16 0.00 0.00 32.46 29.53 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x05 n GLY 16 N 3.08 1.05 3.79 -0.13 0.00 -1.26 -4.33 105.19 107.40 1x05 n GLY 16 Ca 0.54 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.27 2.71 0.24 1.61 0.11 -1.26 -5.01 120.40 116.52 1x05 s VAL 17 Ca 0.14 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.65 1x05 s VAL 17 Cb -0.03 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 1x05 s VAL 17 CO 0.07 -0.06 0.40 -0.63 -3.33 0.00 0.00 175.10 171.54 1x05 s ILE 18 N -2.49 5.22 0.00 7.04 1.01 -1.26 -3.05 121.20 127.67 1x05 s ILE 18 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1x05 s ILE 18 Cb -0.01 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1x05 s ILE 18 CO 0.25 -0.29 0.00 2.30 0.00 0.00 0.00 174.94 177.20 1x05 n ILE 19 N -1.10 0.00 -3.71 2.92 -0.00 -0.94 -4.93 119.36 111.60 1x05 n ILE 19 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.56 1x05 n ILE 19 Cb 0.55 -0.51 -0.10 0.00 -0.00 0.00 0.00 39.64 39.58 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 -1.95 0.52 0.12 6.28 2.20 -1.25 -5.06 119.74 120.59 1x05 s LYS 20 Ca 0.00 0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 56.06 1x05 s LYS 20 Cb 0.00 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.59 1x05 s LYS 20 CO 0.00 -0.09 0.60 1.14 -0.36 0.00 0.00 175.35 176.64 1x05 s GLN 21 N 0.52 1.22 0.00 4.03 -2.07 -1.26 -0.99 119.66 121.11 1x05 s GLN 21 Ca -0.02 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 1x05 s GLN 21 Cb -0.04 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1x05 s GLN 21 CO -0.03 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 173.85 1x05 n GLY 22 N -0.13 -0.79 3.37 2.60 0.00 -0.46 -5.00 105.19 104.77 1x05 n GLY 22 Ca -0.17 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.33 2.31 -0.57 0.00 1.43 0.53 -4.87 118.68 117.19 1x05 s LEU 24 Ca 0.02 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1x05 s LEU 24 Cb -0.13 0.06 0.12 0.00 0.03 0.00 0.00 46.19 46.27 1x05 s LEU 24 CO 0.02 -0.35 0.61 -0.76 0.23 0.00 0.00 176.35 176.10 1x05 s LEU 25 N -1.87 5.81 -0.38 1.79 2.01 -1.24 0.01 118.68 124.81 1x05 s LEU 25 Ca -0.09 -1.63 -0.26 0.00 0.01 0.00 0.00 54.13 52.16 1x05 s LEU 25 Cb -0.05 -2.26 0.02 0.00 0.01 0.00 0.00 46.19 43.91 1x05 s LEU 25 CO -0.03 -0.98 0.94 -0.75 1.01 0.00 0.00 176.35 176.54 1x05 s LYS 26 N 2.11 3.82 -0.34 1.70 2.20 -1.17 -2.37 119.74 125.69 1x05 s LYS 26 Ca 0.07 0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 56.14 1x05 s LYS 26 Cb -0.27 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1x05 s LYS 26 CO 0.04 -0.99 0.19 -1.14 -0.36 0.00 0.00 175.35 173.10 1x05 s GLN 27 N 3.55 3.19 0.29 4.03 -0.44 -0.14 -4.10 119.66 126.05 1x05 s GLN 27 Ca 0.39 -0.83 -0.09 0.00 -2.50 0.00 0.00 55.36 52.33 1x05 s GLN 27 Cb -0.12 -3.67 0.00 0.00 -1.64 0.00 0.00 33.01 27.58 1x05 s GLN 27 CO 0.20 -0.52 0.48 0.20 0.50 0.00 0.00 175.29 176.15 1x05 s GLY 28 N 1.62 0.92 0.16 2.59 0.00 -1.24 -4.05 107.32 107.32 1x05 s GLY 28 Ca 0.04 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.36 1x05 s GLY 28 CO 0.07 -0.78 1.57 0.84 0.00 0.00 0.00 173.10 174.80 1x05 h HIS 29 N 2.20 -1.24 -0.69 1.90 2.76 -1.97 0.82 115.15 118.92 1x05 h HIS 29 Ca -0.28 0.08 0.15 0.00 -2.20 0.00 0.00 60.37 58.12 1x05 h HIS 29 Cb 1.25 0.62 -0.04 0.00 1.55 0.00 0.00 27.41 30.78 1x05 h HIS 29 CO 0.88 -0.43 0.47 0.00 -1.30 0.00 0.00 177.93 177.56 1x05 h ARG 30 N -0.25 0.28 -4.43 5.26 2.47 -1.99 -3.31 114.38 112.41 1x05 h ARG 30 Ca 0.17 -0.02 -0.73 0.00 -1.26 0.00 0.00 59.98 58.14 1x05 h ARG 30 Cb 0.57 -0.06 -0.22 0.00 -1.65 0.00 0.00 29.97 28.61 1x05 h ARG 30 CO -0.65 0.18 0.13 1.03 0.56 0.00 0.00 179.97 181.22 1x05 s ARG 31 N -5.28 3.22 0.21 0.04 3.00 0.29 -4.90 118.95 115.51 1x05 s ARG 31 Ca -0.07 -1.69 -0.10 0.00 0.00 0.00 0.00 55.73 53.87 1x05 s ARG 31 Cb 0.21 -4.38 0.27 0.00 0.00 0.00 0.00 34.95 31.04 1x05 s ARG 31 CO 0.76 -1.48 1.75 0.87 0.00 0.00 0.00 175.30 177.20 1x05 h LYS 32 N 8.79 0.43 -5.00 3.54 1.79 -1.67 -3.27 116.57 121.18 1x05 h LYS 32 Ca -0.16 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 57.94 1x05 h LYS 32 Cb 1.07 -0.10 -0.14 0.00 -1.58 0.00 0.00 32.23 31.48 1x05 h LYS 32 CO 1.02 0.28 -0.67 -0.80 -1.08 0.00 0.00 179.45 178.20 1x05 s ASN 33 N -5.41 1.64 -0.03 0.86 -0.87 -1.26 -4.98 114.94 104.89 1x05 s ASN 33 Ca -0.13 -1.16 -0.38 0.00 -1.57 0.00 0.00 52.86 49.62 1x05 s ASN 33 Cb 0.17 0.04 -0.16 0.00 -0.02 0.00 0.00 41.25 41.27 1x05 s ASN 33 CO 0.75 -0.49 1.49 0.79 -2.57 0.00 0.00 177.10 177.06 1x05 n TRP 34 N -0.32 1.72 -3.99 2.20 7.02 -1.26 -4.90 117.44 117.91 1x05 n TRP 34 Ca -0.07 0.58 -0.27 0.00 -1.02 0.00 0.00 57.50 56.72 1x05 n TRP 34 Cb 0.63 -2.39 -0.17 0.00 -2.42 0.00 0.00 31.31 26.97 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 1.54 1.71 0.29 -0.99 1.02 -1.26 -5.01 119.74 117.04 1x05 s LYS 35 Ca 0.89 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 1x05 s LYS 35 Cb -0.98 -1.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.52 1x05 s LYS 35 CO 0.53 -0.23 1.47 0.28 -0.92 0.00 0.00 175.35 176.47 1x05 n VAL 36 N 4.81 1.20 -3.71 3.17 0.31 -1.26 -3.06 118.33 119.79 1x05 n VAL 36 Ca -0.14 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 63.75 1x05 n VAL 36 Cb 0.50 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 1x05 n VAL 36 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1x05 s ARG 37 N -0.78 0.79 -0.05 5.55 6.06 0.10 -4.58 118.95 126.05 1x05 s ARG 37 Ca 0.64 -0.21 -0.23 0.00 -2.50 0.00 0.00 55.73 53.42 1x05 s ARG 37 Cb -0.56 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.76 1x05 s ARG 37 CO 0.52 -0.24 0.69 0.21 -2.50 0.00 0.00 175.30 173.98 1x05 s LYS 38 N -1.71 4.43 -0.13 5.12 2.20 0.56 0.20 119.74 130.40 1x05 s LYS 38 Ca -0.10 0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1x05 s LYS 38 Cb -0.03 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1x05 s LYS 38 CO 0.03 0.12 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.00 1x05 s PHE 39 N 0.60 1.66 -0.14 4.03 0.40 0.53 0.55 117.98 125.60 1x05 s PHE 39 Ca 0.37 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1x05 s PHE 39 Cb -0.18 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1x05 s PHE 39 CO 0.18 -0.56 -0.10 0.42 0.70 0.00 0.00 175.22 175.86 1x05 s ILE 40 N 1.65 3.27 -0.09 0.64 1.01 0.46 -1.36 121.20 126.79 1x05 s ILE 40 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1x05 s ILE 40 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1x05 s ILE 40 CO -0.09 0.51 -0.03 -0.22 0.00 0.00 0.00 174.94 175.11 1x05 s LEU 41 N 0.47 3.39 -0.05 2.97 2.96 -0.16 0.55 118.68 128.80 1x05 s LEU 41 Ca -0.08 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1x05 s LEU 41 Cb -0.15 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1x05 s LEU 41 CO 0.04 0.35 0.11 0.00 -1.32 0.00 0.00 176.35 175.52 1x05 s ARG 42 N -0.70 0.02 -0.11 1.98 1.70 -0.25 -2.22 118.95 119.37 1x05 s ARG 42 Ca 0.11 0.36 -0.07 0.00 -0.47 0.00 0.00 55.73 55.67 1x05 s ARG 42 Cb -0.12 -0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 33.96 1x05 s ARG 42 CO 0.02 -0.22 0.14 -1.83 -1.08 0.00 0.00 175.30 172.33 1x05 s GLU 43 N 1.51 3.42 -0.53 3.89 -1.05 -1.17 -0.63 118.70 124.14 1x05 s GLU 43 Ca -0.05 -0.15 -0.12 0.00 -0.15 0.00 0.00 54.97 54.50 1x05 s GLU 43 Cb -0.12 -3.17 0.02 0.00 -0.44 0.00 0.00 34.13 30.41 1x05 s GLU 43 CO -0.05 0.77 0.63 -3.47 0.95 0.00 0.00 175.26 174.10 1x05 n ASP 44 N 1.91 -7.70 -4.80 0.83 2.03 -1.26 -4.22 116.55 103.33 1x05 n ASP 44 Ca -0.19 0.29 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 1x05 n ASP 44 Cb 0.55 -5.08 0.10 0.00 -0.72 0.00 0.00 41.12 35.97 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 -2.77 1.95 -0.63 -0.67 0.04 -1.26 -4.10 135.00 127.56 1x05 s PRO 45 Ca 0.18 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.60 1x05 s PRO 45 Cb -0.05 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1x05 s PRO 45 CO 0.77 -1.70 0.82 0.00 0.04 0.00 0.00 177.00 176.93 1x05 s ALA 46 N -3.18 3.31 0.14 8.56 0.00 -1.25 -4.69 121.76 124.65 1x05 s ALA 46 Ca 0.61 -2.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 1x05 s ALA 46 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1x05 s ALA 46 CO 0.54 -2.53 0.30 0.71 0.00 0.00 0.00 175.76 174.78 1x05 s TYR 47 N 3.18 0.18 -0.21 0.00 2.02 0.20 -2.49 117.35 120.24 1x05 s TYR 47 Ca 0.16 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1x05 s TYR 47 Cb -0.21 0.04 0.06 0.00 -0.40 0.00 0.00 41.96 41.45 1x05 s TYR 47 CO 0.07 -0.69 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.19 1x05 s LEU 48 N -2.90 1.74 -0.22 -1.29 1.98 -1.13 -1.09 118.68 115.77 1x05 s LEU 48 Ca 0.11 -0.94 -0.09 0.00 -2.89 0.00 0.00 54.13 50.32 1x05 s LEU 48 Cb 0.03 -0.84 -0.04 0.00 0.66 0.00 0.00 46.19 46.00 1x05 s LEU 48 CO -0.05 -0.27 0.11 -1.00 -1.89 0.00 0.00 176.35 173.25 1x05 s HIS 49 N 1.66 3.25 -0.11 5.38 3.76 0.19 -1.84 115.29 127.58 1x05 s HIS 49 Ca -0.03 0.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 1x05 s HIS 49 Cb -0.18 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1x05 s HIS 49 CO -0.07 0.02 -0.22 1.52 -0.85 0.00 0.00 174.74 175.13 1x05 s TYR 50 N 0.91 2.53 0.41 1.40 1.13 -1.25 0.17 117.35 122.65 1x05 s TYR 50 Ca 0.06 -1.12 0.07 0.00 -1.41 0.00 0.00 57.07 54.66 1x05 s TYR 50 Cb -0.13 -1.71 -0.06 0.00 -1.10 0.00 0.00 41.96 38.96 1x05 s TYR 50 CO 0.03 -0.48 0.14 0.71 -2.51 0.00 0.00 175.55 173.44 1x05 s TYR 51 N 0.54 2.59 0.30 -3.49 1.51 0.19 -2.04 117.35 116.94 1x05 s TYR 51 Ca -0.14 -0.59 -0.27 0.00 -1.01 0.00 0.00 57.07 55.06 1x05 s TYR 51 Cb -0.17 -1.90 -0.10 0.00 -0.11 0.00 0.00 41.96 39.68 1x05 s TYR 51 CO 0.05 0.25 0.93 0.34 -1.11 0.00 0.00 175.55 176.00 1x05 s ASP 52 N -3.86 7.39 0.05 2.29 2.15 -1.26 -0.32 116.67 123.11 1x05 s ASP 52 Ca 0.40 1.83 -0.16 0.00 0.43 0.00 0.00 52.55 55.05 1x05 s ASP 52 Cb 0.05 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 39.88 1x05 s ASP 52 CO 0.22 -0.01 1.19 1.55 -0.17 0.00 0.00 175.17 177.95 1x05 h PRO 53 N 3.42 0.61 -0.85 4.34 0.13 -1.92 -3.15 132.00 134.58 1x05 h PRO 53 Ca -0.46 -0.59 0.19 0.00 -0.87 0.00 0.00 66.00 64.27 1x05 h PRO 53 Cb 1.19 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1x05 h PRO 53 CO 0.66 1.20 0.57 0.00 -0.23 0.00 0.00 178.00 180.20 1x05 h ALA 54 N 0.42 2.23 0.00 -0.56 0.00 -1.93 -3.46 119.26 115.95 1x05 h ALA 54 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x05 h ALA 54 Cb 1.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1x05 h ALA 54 CO 0.15 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1x05 n GLY 55 N -1.53 4.36 0.00 0.00 0.00 -1.19 -5.19 105.19 101.64 1x05 n GLY 55 Ca 0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.75 0.00 -0.03 4.61 0.00 -1.26 -4.63 120.51 117.45 1x05 n ALA 56 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1x05 n ALA 56 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.12 0.26 -3.17 0.00 -0.58 -1.26 -4.98 120.64 110.78 1x05 n GLU 57 Ca 0.00 0.10 -0.28 0.00 -0.42 0.00 0.00 57.16 56.57 1x05 n GLU 57 Cb 0.00 -0.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x05 s ASP 58 N -6.02 6.41 0.02 1.62 1.01 -1.26 -5.04 116.67 113.41 1x05 s ASP 58 Ca -0.15 0.77 -0.30 0.00 0.71 0.00 0.00 52.55 53.58 1x05 s ASP 58 Cb 0.03 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1x05 s ASP 58 CO 0.21 -0.30 1.18 -2.16 0.21 0.00 0.00 175.17 174.31 1x05 s PRO 59 N -3.89 4.42 0.54 8.23 0.04 -1.26 -4.86 135.00 138.23 1x05 s PRO 59 Ca 0.45 1.71 0.45 0.00 0.04 0.00 0.00 61.00 63.65 1x05 s PRO 59 Cb -0.10 -3.42 1.66 0.00 0.04 0.00 0.00 34.50 32.67 1x05 s PRO 59 CO 0.33 -0.30 1.63 -0.07 0.04 0.00 0.00 177.00 178.64 1x05 h LEU 60 N 7.22 0.04 0.00 -3.56 3.38 -1.79 -3.45 115.31 117.16 1x05 h LEU 60 Ca -0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x05 h LEU 60 Cb 1.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1x05 h LEU 60 CO 0.83 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1x05 n GLY 61 N -1.83 -1.07 3.09 0.83 0.00 -1.26 -5.07 105.19 99.88 1x05 n GLY 61 Ca 0.39 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 0.71 -0.29 4.61 0.00 -1.26 -3.86 121.76 120.67 1x05 s ALA 62 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1x05 s ALA 62 Cb 0.00 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1x05 s ALA 62 CO 0.00 0.01 -0.05 0.42 0.00 0.00 0.00 175.76 176.14 1x05 s ILE 63 N -1.41 2.41 -0.03 0.00 1.01 -0.76 -4.95 121.20 117.47 1x05 s ILE 63 Ca -0.08 -1.69 -0.36 0.00 0.00 0.00 0.00 60.65 58.52 1x05 s ILE 63 Cb -0.10 -2.47 -0.14 0.00 0.01 0.00 0.00 42.46 39.76 1x05 s ILE 63 CO 0.01 -0.15 1.65 1.57 0.00 0.00 0.00 174.94 178.02 1x05 n HIS 64 N 4.46 2.07 -0.02 3.97 -0.00 -1.26 -2.82 115.22 121.61 1x05 n HIS 64 Ca -0.11 0.33 0.02 0.00 0.46 0.00 0.00 57.72 58.42 1x05 n HIS 64 Cb 0.42 -2.51 -0.08 0.00 -0.12 0.00 0.00 29.99 27.70 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 4.62 0.00 -0.34 0.27 4.77 -1.04 -4.31 117.00 120.97 1x05 n LEU 65 Ca 0.21 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1x05 n LEU 65 Cb 0.23 0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1x05 n LEU 65 CO 0.70 0.08 0.46 -1.14 -1.33 0.00 0.00 177.39 176.16 1x05 n ARG 66 N -2.02 -0.36 -2.55 3.23 0.63 -1.21 -1.82 116.66 112.56 1x05 n ARG 66 Ca -0.06 1.37 -0.29 0.00 -0.92 0.00 0.00 57.85 57.95 1x05 n ARG 66 Cb 0.45 -2.03 -0.01 0.00 0.45 0.00 0.00 32.46 31.33 1x05 n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x05 n GLY 67 N -1.20 5.88 4.02 5.14 0.00 -1.26 -4.85 105.19 112.91 1x05 n GLY 67 Ca 0.02 -2.74 -0.19 0.00 0.00 0.00 0.00 46.02 43.10 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 -2.62 0.26 -0.10 0.00 1.01 0.55 -4.93 120.40 114.57 1x05 s VAL 69 Ca 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1x05 s VAL 69 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1x05 s VAL 69 CO 0.37 -0.02 -0.03 -0.69 0.00 0.00 0.00 175.10 174.73 1x05 s VAL 70 N -0.31 4.00 0.20 2.92 1.01 -1.26 -0.56 120.40 126.40 1x05 s VAL 70 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1x05 s VAL 70 Cb -0.03 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1x05 s VAL 70 CO -0.00 0.57 0.60 0.28 0.00 0.00 0.00 175.10 176.55 1x05 s THR 71 N -0.51 0.01 -0.11 3.92 -1.32 -0.50 -5.00 115.64 112.14 1x05 s THR 71 Ca 0.08 -0.51 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1x05 s THR 71 Cb -0.12 -1.44 -0.03 0.00 -1.51 0.00 0.00 72.50 69.40 1x05 s THR 71 CO 0.02 -0.05 0.00 -0.94 -2.21 0.00 0.00 174.62 171.45 1x05 s SER 72 N -2.83 5.21 0.75 8.08 1.04 -1.26 -1.38 113.70 123.30 1x05 s SER 72 Ca 0.06 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1x05 s SER 72 Cb -0.02 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1x05 s SER 72 CO -0.05 0.33 0.00 1.33 0.98 0.00 0.00 173.24 175.83 1x05 n VAL 73 N 2.50 0.00 -0.07 5.02 0.24 -1.24 -4.73 118.33 120.05 1x05 n VAL 73 Ca -0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1x05 n VAL 73 Cb 0.53 -0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.28 0.46 -3.54 7.34 4.07 -1.26 -5.00 120.64 121.43 1x05 n GLU 74 Ca 0.00 0.18 -0.24 0.00 -0.06 0.00 0.00 57.16 57.04 1x05 n GLU 74 Cb 0.00 -1.30 0.01 0.00 -0.06 0.00 0.00 31.44 30.09 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1x05 n SER 75 N -4.32 -5.68 -3.55 4.31 3.41 -1.26 -4.99 113.62 101.53 1x05 n SER 75 Ca -0.12 -0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 57.89 1x05 n SER 75 Cb 0.45 -2.44 -0.04 0.00 -0.26 0.00 0.00 64.21 61.92 1x05 n SER 75 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x05 s ASN 76 N -2.50 -0.36 0.00 4.04 3.84 -1.26 -5.04 114.94 113.65 1x05 s ASN 76 Ca 0.14 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.01 1x05 s ASN 76 Cb -0.02 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 1x05 s ASN 76 CO 0.86 -0.90 0.00 -1.20 -2.79 0.00 0.00 177.10 173.07 1x05 n SER 77 N -0.29 0.00 -3.71 -4.21 7.64 -1.26 -5.11 113.62 106.68 1x05 n SER 77 Ca -0.16 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.56 1x05 n SER 77 Cb 0.64 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 1x05 n SER 77 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x05 s ASN 78 N 0.00 0.32 -0.75 6.43 2.47 -1.26 -5.04 114.94 117.11 1x05 s ASN 78 Ca 0.00 0.28 -0.09 0.00 0.42 0.00 0.00 52.86 53.47 1x05 s ASN 78 Cb 0.00 0.19 -0.08 0.00 -1.45 0.00 0.00 41.25 39.91 1x05 s ASN 78 CO 0.00 -0.19 1.92 0.61 -3.72 0.00 0.00 177.10 175.71 1x05 n GLY 79 N 4.72 2.75 1.76 1.21 0.00 -1.26 -3.06 105.19 111.31 1x05 n GLY 79 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1x05 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x05 n ARG 80 N 5.01 0.00 -0.55 1.61 0.00 -1.26 -5.14 116.66 116.34 1x05 n ARG 80 Ca 0.40 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.96 1x05 n ARG 80 Cb 0.18 0.00 0.23 0.00 0.00 0.00 0.00 32.46 32.87 1x05 n ARG 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x05 n LYS 81 N -3.20 -1.91 0.00 -0.14 3.00 -1.17 -5.00 118.16 109.73 1x05 n LYS 81 Ca 0.00 -0.52 -0.03 0.00 -0.00 0.00 0.00 58.31 57.75 1x05 n LYS 81 Cb 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 35.03 32.87 1x05 n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 n SER 82 N -4.33 1.28 0.00 3.14 2.88 -1.26 -4.93 113.62 110.40 1x05 n SER 82 Ca 0.05 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1x05 n SER 82 Cb 0.54 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1x05 n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x05 n GLU 83 N -3.75 0.00 -4.09 -1.46 1.02 -1.26 -4.54 120.64 106.57 1x05 n GLU 83 Ca -0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.93 1x05 n GLU 83 Cb 0.21 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.49 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1x05 s GLU 84 N 0.00 0.32 0.00 3.49 2.02 -1.26 -5.15 118.70 118.12 1x05 s GLU 84 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1x05 s GLU 84 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1x05 s GLU 84 CO 0.00 0.08 0.00 0.39 0.02 0.00 0.00 175.26 175.75 1x05 n GLU 85 N 3.02 3.17 -2.70 1.61 1.02 -1.26 -4.85 120.64 120.65 1x05 n GLU 85 Ca -0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 1x05 n GLU 85 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.97 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 -1.61 6.57 0.32 1.62 0.01 -1.26 -4.98 114.94 115.62 1x05 s ASN 86 Ca 0.00 0.31 0.10 0.00 -0.71 0.00 0.00 52.86 52.56 1x05 s ASN 86 Cb 0.00 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 1x05 s ASN 86 CO 0.00 -1.16 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.55 1x05 s LEU 87 N 4.13 2.71 -0.04 0.60 1.43 -1.26 0.09 118.68 126.34 1x05 s LEU 87 Ca 0.43 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 1x05 s LEU 87 Cb -0.08 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.10 1x05 s LEU 87 CO 0.29 -0.13 0.32 0.72 0.23 0.00 0.00 176.35 177.78 1x05 s PHE 88 N -2.57 -0.22 -0.15 0.29 -0.12 -1.02 -3.65 117.98 110.54 1x05 s PHE 88 Ca 0.32 0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 57.54 1x05 s PHE 88 Cb -0.00 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1x05 s PHE 88 CO 0.16 -0.34 0.07 -2.00 -0.05 0.00 0.00 175.22 173.06 1x05 s GLU 89 N -0.99 3.69 -0.21 1.99 2.12 -0.48 -2.79 118.70 122.03 1x05 s GLU 89 Ca -0.11 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1x05 s GLU 89 Cb -0.05 -3.15 0.05 0.00 0.26 0.00 0.00 34.13 31.25 1x05 s GLU 89 CO 0.03 0.47 -0.06 0.42 -0.54 0.00 0.00 175.26 175.58 1x05 s ILE 90 N -0.19 1.45 0.15 -3.70 1.01 -0.98 -1.41 121.20 117.52 1x05 s ILE 90 Ca 0.08 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1x05 s ILE 90 Cb -0.12 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.63 1x05 s ILE 90 CO 0.01 0.02 0.57 -0.63 0.00 0.00 0.00 174.94 174.91 1x05 s ILE 91 N 1.46 4.82 0.47 2.92 1.01 0.28 -2.91 121.20 129.25 1x05 s ILE 91 Ca -0.03 0.91 0.06 0.00 0.00 0.00 0.00 60.65 61.59 1x05 s ILE 91 Cb -0.17 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.59 1x05 s ILE 91 CO -0.07 0.27 0.48 0.35 0.00 0.00 0.00 174.94 175.97 1x05 n THR 92 N 0.89 0.00 0.44 2.92 -2.24 -0.60 0.21 114.28 115.89 1x05 n THR 92 Ca -0.06 -1.76 0.06 0.00 -2.27 0.00 0.00 64.05 60.02 1x05 n THR 92 Cb 0.52 -0.29 0.27 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.19 1.58 0.91 6.98 0.00 -0.88 -0.60 120.51 126.31 1x05 n ALA 93 Ca -0.13 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1x05 n ALA 93 Cb 0.52 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.83 1x05 n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x05 n ASP 94 N -1.49 2.51 0.00 0.00 -0.08 -1.26 -4.93 116.55 111.30 1x05 n ASP 94 Ca 0.03 -1.76 0.00 0.00 -1.51 0.00 0.00 54.79 51.56 1x05 n ASP 94 Cb 0.14 0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.77 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 0.79 0.00 -1.85 -0.67 1.02 0.23 -4.99 120.64 115.18 1x05 n GLU 95 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 1x05 n GLU 95 Cb 0.51 -2.39 -0.03 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.49 2.32 0.01 2.62 1.01 -1.26 -4.61 120.40 116.99 1x05 s VAL 96 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1x05 s VAL 96 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1x05 s VAL 96 CO 0.00 0.03 0.07 -1.00 0.00 0.00 0.00 175.10 174.20 1x05 s HIS 97 N 0.69 3.25 -0.03 5.22 3.76 -1.26 -1.56 115.29 125.36 1x05 s HIS 97 Ca 0.68 0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1x05 s HIS 97 Cb -0.46 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 31.55 1x05 s HIS 97 CO 0.37 0.54 0.07 0.71 -0.85 0.00 0.00 174.74 175.58 1x05 s TYR 98 N -1.20 -0.03 -0.40 1.40 2.02 -1.14 -4.96 117.35 113.03 1x05 s TYR 98 Ca 0.23 0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 57.09 1x05 s TYR 98 Cb -0.12 -0.20 0.06 0.00 -0.40 0.00 0.00 41.96 41.30 1x05 s TYR 98 CO 0.14 -0.12 0.22 -0.06 -1.57 0.00 0.00 175.55 174.17 1x05 s PHE 99 N 1.16 3.31 -0.13 2.71 0.08 -1.26 -2.33 117.98 121.53 1x05 s PHE 99 Ca -0.08 -1.44 -0.01 0.00 0.12 0.00 0.00 56.93 55.52 1x05 s PHE 99 Cb -0.13 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.55 1x05 s PHE 99 CO -0.04 -0.80 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.66 1x05 s LEU 100 N 1.44 2.80 -0.12 -0.37 2.01 -1.12 -0.97 118.68 122.35 1x05 s LEU 100 Ca 0.02 -0.29 -0.16 0.00 0.01 0.00 0.00 54.13 53.71 1x05 s LEU 100 Cb -0.22 -1.64 -0.05 0.00 0.01 0.00 0.00 46.19 44.30 1x05 s LEU 100 CO 0.03 0.17 0.38 -1.58 1.01 0.00 0.00 176.35 176.36 1x05 s GLN 101 N 0.32 4.23 -0.25 1.70 0.74 -1.00 -2.43 119.66 122.98 1x05 s GLN 101 Ca -0.09 0.28 -0.11 0.00 0.05 0.00 0.00 55.36 55.49 1x05 s GLN 101 Cb -0.16 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 1x05 s GLN 101 CO 0.05 0.27 0.17 0.00 -0.55 0.00 0.00 175.29 175.23 1x05 s ALA 102 N 0.31 3.59 0.09 1.58 0.00 0.11 -3.58 121.76 123.85 1x05 s ALA 102 Ca 0.21 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1x05 s ALA 102 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1x05 s ALA 102 CO 0.08 -0.28 1.33 0.00 0.00 0.00 0.00 175.76 176.90 1x05 h ALA 103 N 7.72 -0.42 -2.02 0.00 0.00 -1.89 -3.37 119.26 119.27 1x05 h ALA 103 Ca -0.37 0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.13 1x05 h ALA 103 Cb 1.17 1.15 0.02 0.00 0.00 0.00 0.00 17.79 20.13 1x05 h ALA 103 CO 0.63 -0.65 -0.18 0.95 0.00 0.00 0.00 179.25 180.00 1x05 s THR 104 N -4.57 4.16 -0.58 0.00 -4.23 -1.26 -4.81 115.64 104.35 1x05 s THR 104 Ca -0.08 -0.63 0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1x05 s THR 104 Cb 0.06 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.67 1x05 s THR 104 CO 0.38 -0.31 1.75 1.55 -0.54 0.00 0.00 174.62 177.45 1x05 h PRO 105 N 0.58 0.00 0.15 3.99 0.13 -1.95 -2.99 132.00 131.90 1x05 h PRO 105 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1x05 h PRO 105 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x05 h PRO 105 CO 0.57 0.00 -1.63 -0.22 -0.23 0.00 0.00 178.00 176.48 1x05 h LYS 106 N 0.00 0.31 -0.87 0.86 3.64 -1.94 -3.30 116.57 115.28 1x05 h LYS 106 Ca 0.00 -0.54 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1x05 h LYS 106 Cb 0.57 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1x05 h LYS 106 CO 0.00 1.20 0.57 1.49 -2.27 0.00 0.00 179.45 180.44 1x05 h GLU 107 N 0.09 1.14 -0.76 1.90 4.57 -1.89 0.24 114.58 119.88 1x05 h GLU 107 Ca -0.29 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 57.88 1x05 h GLU 107 Cb 2.06 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 30.33 1x05 h GLU 107 CO 0.17 0.76 0.44 -0.09 -1.18 0.00 0.00 179.01 179.11 1x05 h ARG 108 N 1.18 0.78 -0.18 1.92 1.12 -1.65 0.54 114.38 118.08 1x05 h ARG 108 Ca 0.32 -0.05 -0.19 0.00 -1.11 0.00 0.00 59.98 58.95 1x05 h ARG 108 Cb -0.13 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 29.66 1x05 h ARG 108 CO -0.07 0.51 -0.64 1.15 -3.11 0.00 0.00 179.97 177.82 1x05 h THR 109 N 0.80 1.30 0.50 0.20 2.02 -1.45 -2.79 112.91 113.48 1x05 h THR 109 Ca 0.34 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.64 1x05 h THR 109 Cb 0.21 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1x05 h THR 109 CO -0.19 0.59 -0.24 -0.33 0.37 0.00 0.00 175.52 175.72 1x05 h GLU 110 N 0.47 -0.64 -0.28 6.66 5.08 0.18 -1.54 114.58 124.50 1x05 h GLU 110 Ca -0.03 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1x05 h GLU 110 Cb 1.26 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 1x05 h GLU 110 CO 0.13 -0.41 -0.55 -1.49 -1.00 0.00 0.00 179.01 175.70 1x05 h TRP 111 N -0.71 -1.64 -0.56 4.33 4.06 -0.02 1.57 115.95 122.98 1x05 h TRP 111 Ca -0.07 0.07 0.05 0.00 2.06 0.00 0.00 58.89 61.01 1x05 h TRP 111 Cb 0.53 0.75 -0.07 0.00 -1.00 0.00 0.00 29.16 29.37 1x05 h TRP 111 CO -0.03 -0.52 -0.40 0.82 -3.56 0.00 0.00 178.44 174.75 1x05 h ILE 112 N -0.48 0.00 -0.50 1.49 2.04 -1.38 1.61 117.51 120.28 1x05 h ILE 112 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 1x05 h ILE 112 Cb 0.64 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1x05 h ILE 112 CO -0.52 0.00 0.34 0.11 0.00 0.00 0.00 178.15 178.08 1x05 h LYS 113 N -0.09 0.18 0.19 2.37 1.79 -0.21 0.24 116.57 121.05 1x05 h LYS 113 Ca 0.09 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1x05 h LYS 113 Cb 0.33 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1x05 h LYS 113 CO -0.57 0.12 -0.09 0.00 -1.08 0.00 0.00 179.45 177.82 1x05 h ALA 114 N 1.75 -0.26 -0.31 3.86 0.00 1.30 0.29 119.26 125.89 1x05 h ALA 114 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1x05 h ALA 114 Cb 0.67 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x05 h ALA 114 CO -0.04 -0.57 0.15 0.82 0.00 0.00 0.00 179.25 179.60 1x05 h ILE 115 N -0.40 1.16 -0.28 0.00 5.03 0.20 -2.58 117.51 120.63 1x05 h ILE 115 Ca -0.03 -0.44 0.05 0.00 -0.12 0.00 0.00 64.86 64.32 1x05 h ILE 115 Cb 0.31 0.88 -0.05 0.00 -3.03 0.00 0.00 36.82 34.94 1x05 h ILE 115 CO 0.04 0.16 -0.04 1.56 -0.68 0.00 0.00 178.15 179.19 1x05 h GLN 116 N 0.36 0.03 -0.60 2.37 4.20 -0.46 0.69 115.11 121.70 1x05 h GLN 116 Ca 0.11 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.94 1x05 h GLN 116 Cb 0.12 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.79 1x05 h GLN 116 CO -0.01 0.02 -0.03 1.98 -0.67 0.00 0.00 178.83 180.12 1x05 h MET 117 N 0.03 0.09 0.34 1.46 1.85 -0.16 1.32 114.93 119.85 1x05 h MET 117 Ca 0.13 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1x05 h MET 117 Cb 0.19 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.21 1x05 h MET 117 CO -0.26 0.06 -0.16 0.00 -0.40 0.00 0.00 176.91 176.15 1x05 h ALA 118 N 1.56 -0.59 -1.36 0.39 0.00 -0.98 -2.99 119.26 115.29 1x05 h ALA 118 Ca 0.31 -0.10 0.40 0.00 0.00 0.00 0.00 54.91 55.52 1x05 h ALA 118 Cb 0.49 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1x05 h ALA 118 CO -0.53 -0.56 0.94 0.66 0.00 0.00 0.00 179.25 179.76 1x05 h SER 119 N -0.82 0.13 -0.51 0.00 4.64 0.61 1.01 113.55 118.62 1x05 h SER 119 Ca -0.05 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1x05 h SER 119 Cb 0.35 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1x05 h SER 119 CO 0.08 -0.03 0.28 0.03 -0.87 0.00 0.00 176.83 176.32 1x05 h ARG 120 N 0.09 0.71 -5.69 4.77 2.47 0.18 -3.44 114.38 113.47 1x05 h ARG 120 Ca 0.71 -0.08 -0.56 0.00 -1.26 0.00 0.00 59.98 58.78 1x05 h ARG 120 Cb 2.53 -0.14 0.18 0.00 -1.65 0.00 0.00 29.97 30.89 1x05 h ARG 120 CO -0.15 0.55 -1.18 -2.37 0.56 0.00 0.00 179.97 177.38 1x05 n THR 121 N -4.65 0.00 0.07 2.04 5.66 0.35 -4.90 114.28 112.85 1x05 n THR 121 Ca 0.02 -0.47 -0.03 0.00 -3.05 0.00 0.00 64.05 60.52 1x05 n THR 121 Cb 0.08 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.85 1x05 n THR 121 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1x05 h GLY 122 N -0.12 -0.19 -4.88 1.09 0.00 -1.86 -3.49 103.07 93.62 1x05 h GLY 122 Ca -0.39 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1x05 h GLY 122 CO 0.37 -0.07 -0.47 1.17 0.00 0.00 0.00 176.54 177.54 1x05 n LYS 123 N -2.58 -2.12 -4.35 4.80 0.00 -1.26 -5.02 118.16 107.63 1x05 n LYS 123 Ca -0.02 1.94 -0.34 0.00 0.00 0.00 0.00 58.31 59.88 1x05 n LYS 123 Cb 0.07 -4.95 -0.10 0.00 0.00 0.00 0.00 35.03 30.05 1x05 n LYS 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x05 s SER 124 N -2.20 5.12 0.51 3.14 1.04 -1.26 -5.06 113.70 114.98 1x05 s SER 124 Ca 0.18 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 1x05 s SER 124 Cb -0.05 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 1x05 s SER 124 CO 0.64 0.29 0.86 -0.83 0.98 0.00 0.00 173.24 175.18 1x05 s GLY 125 N -0.32 1.65 1.10 7.32 0.00 -1.26 -5.08 107.32 110.73 1x05 s GLY 125 Ca 0.06 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.29 1x05 s GLY 125 CO 0.02 -0.10 1.23 2.56 0.00 0.00 0.00 173.10 176.81 1x05 s PRO 126 N -4.66 -0.47 0.24 2.90 0.04 -1.26 -5.04 135.00 126.74 1x05 s PRO 126 Ca 0.51 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1x05 s PRO 126 Cb -0.10 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1x05 s PRO 126 CO 0.44 -3.17 0.00 0.45 0.04 0.00 0.00 177.00 174.76 1x05 n SER 127 N -4.32 -0.10 -4.47 6.66 2.88 -1.26 -5.04 113.62 107.98 1x05 n SER 127 Ca 0.15 0.41 -0.43 0.00 -1.33 0.00 0.00 58.87 57.67 1x05 n SER 127 Cb 0.59 0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 64.30 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 -5.05 6.22 0.00 -3.46 0.15 -1.26 -5.39 113.70 104.92 1x05 s SER 128 Ca 0.00 -0.76 0.13 0.00 0.70 0.00 0.00 55.95 56.02 1x05 s SER 128 Cb 0.00 -2.26 0.10 0.00 -1.71 0.00 0.00 66.02 62.15 1x05 s SER 128 CO 0.00 -0.73 0.92 0.61 1.20 0.00 0.00 173.24 175.24