#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x23 s GLY 3 N 0.00 2.04 0.53 3.41 0.00 -1.26 -4.94 107.32 107.10 2x23 s GLY 3 Ca 0.00 0.24 0.18 0.00 0.00 0.00 0.00 44.72 45.14 2x23 s GLY 3 CO 0.00 0.53 2.16 -2.00 0.00 0.00 0.00 173.10 173.78 2x23 h LEU 4 N 0.60 0.00 -3.00 0.66 5.85 -1.91 -2.88 115.31 114.62 2x23 h LEU 4 Ca -0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2x23 h LEU 4 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2x23 h LEU 4 CO 0.60 0.00 -0.35 0.18 -0.34 0.00 0.00 178.44 178.53 2x23 n LEU 5 N -4.43 2.59 -4.69 2.25 4.77 -0.40 -4.69 117.00 112.40 2x23 n LEU 5 Ca -0.02 -3.65 -0.53 0.00 -0.03 0.00 0.00 56.01 51.78 2x23 n LEU 5 Cb 0.11 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2x23 n LEU 5 CO 0.33 1.19 1.35 -0.67 -1.33 0.00 0.00 177.39 178.26 2x23 n ASP 6 N -1.21 2.74 0.00 -1.43 2.03 -1.03 -1.68 116.55 115.97 2x23 n ASP 6 Ca 0.18 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.53 2x23 n ASP 6 Cb 0.68 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 2x23 n ASP 6 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2x23 n GLY 7 N 4.11 3.13 3.74 0.27 0.00 -1.07 -4.96 105.19 110.41 2x23 n GLY 7 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2x23 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x23 s LYS 8 N -0.31 4.32 -0.23 1.61 1.02 -0.68 -4.70 119.74 120.76 2x23 s LYS 8 Ca 0.00 2.21 -0.13 0.00 0.02 0.00 0.00 55.97 58.07 2x23 s LYS 8 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2x23 s LYS 8 CO 0.00 -0.34 0.27 1.03 -0.92 0.00 0.00 175.35 175.39 2x23 s ARG 9 N -0.43 4.09 -0.06 1.68 0.52 -1.26 -0.59 118.95 122.91 2x23 s ARG 9 Ca 0.57 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 2x23 s ARG 9 Cb -0.40 -3.56 0.02 0.00 0.52 0.00 0.00 34.95 31.53 2x23 s ARG 9 CO 0.43 -0.03 -0.05 0.42 0.02 0.00 0.00 175.30 176.09 2x23 s ILE 10 N 1.32 0.62 -0.07 1.52 1.01 -0.12 -0.18 121.20 125.29 2x23 s ILE 10 Ca 0.12 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 2x23 s ILE 10 Cb -0.14 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2x23 s ILE 10 CO 0.07 0.26 0.64 -0.22 0.00 0.00 0.00 174.94 175.69 2x23 s LEU 11 N 1.24 4.31 -0.16 2.97 0.20 -0.40 -1.45 118.68 125.39 2x23 s LEU 11 Ca -0.06 1.10 0.00 0.00 0.69 0.00 0.00 54.13 55.86 2x23 s LEU 11 Cb -0.14 -2.98 0.03 0.00 -0.43 0.00 0.00 46.19 42.67 2x23 s LEU 11 CO -0.02 -0.08 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.18 2x23 s VAL 12 N 0.70 1.42 0.28 1.68 1.01 0.06 0.07 120.40 125.62 2x23 s VAL 12 Ca 0.34 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2x23 s VAL 12 Cb -0.17 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2x23 s VAL 12 CO 0.16 0.28 0.45 -0.94 0.00 0.00 0.00 175.10 175.06 2x23 s SER 13 N 1.52 6.33 0.00 3.32 1.04 -0.67 -1.44 113.70 123.80 2x23 s SER 13 Ca 0.02 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2x23 s SER 13 Cb -0.14 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2x23 s SER 13 CO -0.09 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2x23 n GLY 14 N -1.38 0.80 3.70 7.32 0.00 -1.19 -3.82 105.19 110.63 2x23 n GLY 14 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2x23 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x23 s ILE 15 N -2.00 3.85 0.00 -0.61 1.01 -1.26 -4.56 121.20 117.63 2x23 s ILE 15 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2x23 s ILE 15 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2x23 s ILE 15 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.98 2x23 n ILE 16 N 4.38 0.00 -4.54 2.92 0.13 -1.26 -4.72 119.36 116.27 2x23 n ILE 16 Ca 0.11 0.00 -0.26 0.00 -1.10 0.00 0.00 62.75 61.50 2x23 n ILE 16 Cb 0.45 -0.70 -0.08 0.00 -0.84 0.00 0.00 39.64 38.46 2x23 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2x23 s THR 17 N -1.85 0.69 -2.00 9.51 -4.23 -1.26 -4.57 115.64 111.93 2x23 s THR 17 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 2x23 s THR 17 Cb 0.00 -2.36 0.66 0.00 1.34 0.00 0.00 72.50 72.14 2x23 s THR 17 CO 0.00 0.00 1.77 -0.90 -0.54 0.00 0.00 174.62 174.95 2x23 n ASP 18 N -1.27 0.00 0.01 3.99 5.75 -1.26 -1.99 116.55 121.78 2x23 n ASP 18 Ca -0.07 -0.84 0.11 0.00 -0.01 0.00 0.00 54.79 53.97 2x23 n ASP 18 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2x23 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2x23 n SER 19 N -0.96 0.73 -4.68 -1.12 7.64 -1.26 -4.82 113.62 109.15 2x23 n SER 19 Ca 0.17 -0.58 -0.43 0.00 1.01 0.00 0.00 58.87 59.04 2x23 n SER 19 Cb 0.08 0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 64.09 2x23 n SER 19 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2x23 n SER 20 N -1.64 2.62 -0.20 6.43 7.64 -0.84 -4.65 113.62 122.97 2x23 n SER 20 Ca 0.03 1.19 0.01 0.00 1.01 0.00 0.00 58.87 61.11 2x23 n SER 20 Cb 0.37 -1.45 0.11 0.00 -1.01 0.00 0.00 64.21 62.23 2x23 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2x23 h ILE 21 N 2.62 0.68 -0.28 0.44 2.04 -1.90 -1.18 117.51 119.93 2x23 h ILE 21 Ca -0.45 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.38 2x23 h ILE 21 Cb 1.29 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2x23 h ILE 21 CO 0.66 0.06 0.21 0.00 0.00 0.00 0.00 178.15 179.08 2x23 h ALA 22 N 1.46 2.22 -0.53 1.87 0.00 -1.86 -0.91 119.26 121.51 2x23 h ALA 22 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2x23 h ALA 22 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2x23 h ALA 22 CO -0.37 -0.36 -0.07 0.35 0.00 0.00 0.00 179.25 178.80 2x23 h PHE 23 N 0.00 1.10 0.03 0.00 3.57 -1.48 -1.26 116.94 118.90 2x23 h PHE 23 Ca 0.13 -0.22 -0.22 0.00 3.53 0.00 0.00 57.97 61.20 2x23 h PHE 23 Cb 0.56 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2x23 h PHE 23 CO 0.00 1.02 -0.99 0.45 -2.23 0.00 0.00 178.31 176.56 2x23 h HIS 24 N 0.86 0.22 -0.18 0.41 3.86 -1.22 -0.18 115.15 118.92 2x23 h HIS 24 Ca 0.14 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2x23 h HIS 24 Cb 0.63 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2x23 h HIS 24 CO 0.04 1.03 0.01 0.82 0.86 0.00 0.00 177.93 180.70 2x23 h ILE 25 N 0.06 0.89 0.18 2.45 2.04 -1.12 -0.44 117.51 121.57 2x23 h ILE 25 Ca -0.05 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2x23 h ILE 25 Cb 1.68 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2x23 h ILE 25 CO 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 178.15 178.22 2x23 h ALA 26 N 1.14 -0.24 -0.18 1.87 0.00 -1.04 0.03 119.26 120.84 2x23 h ALA 26 Ca 0.08 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x23 h ALA 26 Cb 0.09 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2x23 h ALA 26 CO -0.13 -0.63 -0.25 -0.09 0.00 0.00 0.00 179.25 178.15 2x23 h ARG 27 N -0.24 -0.28 -0.81 0.00 2.43 -0.96 0.21 114.38 114.73 2x23 h ARG 27 Ca -0.02 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2x23 h ARG 27 Cb 0.18 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2x23 h ARG 27 CO 0.04 -0.18 0.38 0.28 -1.51 0.00 0.00 179.97 178.97 2x23 h VAL 28 N -0.29 1.25 -0.72 0.20 2.07 -0.98 -0.32 116.25 117.47 2x23 h VAL 28 Ca 0.12 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2x23 h VAL 28 Cb 0.46 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2x23 h VAL 28 CO -0.35 0.31 0.27 0.00 0.02 0.00 0.00 177.57 177.83 2x23 h ALA 29 N 1.20 1.13 -0.34 1.67 0.00 -0.58 -0.95 119.26 121.38 2x23 h ALA 29 Ca 0.28 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2x23 h ALA 29 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2x23 h ALA 29 CO -0.03 0.62 -0.41 1.96 0.00 0.00 0.00 179.25 181.39 2x23 h GLN 30 N 1.05 0.85 0.00 0.00 4.20 -0.61 -0.85 115.11 119.75 2x23 h GLN 30 Ca 0.24 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2x23 h GLN 30 Cb 0.22 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2x23 h GLN 30 CO -0.02 1.10 -0.06 0.93 -0.67 0.00 0.00 178.83 180.11 2x23 h GLU 31 N 0.69 0.00 -0.61 1.46 5.08 -0.44 -1.76 114.58 119.00 2x23 h GLU 31 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2x23 h GLU 31 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2x23 h GLU 31 CO 0.10 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.21 2x23 n GLN 32 N -3.72 4.58 -0.66 2.33 1.13 -0.42 -4.88 117.38 115.74 2x23 n GLN 32 Ca -0.02 -2.99 0.00 0.00 -1.94 0.00 0.00 57.00 52.04 2x23 n GLN 32 Cb 0.16 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.33 2x23 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x23 n GLY 33 N 0.69 0.78 3.77 1.08 0.00 -0.66 -1.28 105.19 109.59 2x23 n GLY 33 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2x23 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x23 s ALA 34 N -2.93 3.10 -0.27 4.61 0.00 -0.37 -2.61 121.76 123.28 2x23 s ALA 34 Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 2x23 s ALA 34 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2x23 s ALA 34 CO 0.00 -0.38 0.16 -0.65 0.00 0.00 0.00 175.76 174.89 2x23 s GLN 35 N -2.41 3.91 0.06 0.00 -1.52 0.25 -4.50 119.66 115.44 2x23 s GLN 35 Ca 0.58 -0.34 0.01 0.00 -1.95 0.00 0.00 55.36 53.65 2x23 s GLN 35 Cb -0.26 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 28.90 2x23 s GLN 35 CO 0.33 -0.15 0.15 -0.51 -0.25 0.00 0.00 175.29 174.85 2x23 s LEU 36 N 1.65 4.11 -0.10 2.90 1.43 -1.26 -0.95 118.68 126.47 2x23 s LEU 36 Ca 0.07 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 2x23 s LEU 36 Cb -0.16 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 2x23 s LEU 36 CO 0.09 0.18 -0.23 -0.69 0.23 0.00 0.00 176.35 175.93 2x23 s VAL 37 N -1.43 2.12 -0.01 -1.59 1.01 -0.53 -4.27 120.40 115.69 2x23 s VAL 37 Ca 0.32 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2x23 s VAL 37 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2x23 s VAL 37 CO 0.24 0.56 0.08 -0.76 0.00 0.00 0.00 175.10 175.22 2x23 s LEU 38 N 0.31 3.90 0.05 3.92 1.43 0.01 -0.76 118.68 127.53 2x23 s LEU 38 Ca -0.18 0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2x23 s LEU 38 Cb -0.18 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2x23 s LEU 38 CO 0.09 0.28 -0.25 0.42 0.23 0.00 0.00 176.35 177.12 2x23 s THR 39 N -1.17 2.25 0.07 5.49 -4.23 -0.52 0.12 115.64 117.65 2x23 s THR 39 Ca 0.22 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2x23 s THR 39 Cb -0.12 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 2x23 s THR 39 CO 0.13 0.35 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.65 2x23 s GLY 40 N -1.31 0.64 -0.12 3.99 0.00 -0.30 -3.14 107.32 107.09 2x23 s GLY 40 Ca 0.12 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2x23 s GLY 40 CO 0.03 -1.07 -0.20 -0.12 0.00 0.00 0.00 173.10 171.74 2x23 s PHE 41 N -2.18 2.67 0.00 1.90 5.36 -1.26 -1.21 117.98 123.26 2x23 s PHE 41 Ca -0.01 -1.00 0.00 0.00 -0.96 0.00 0.00 56.93 54.96 2x23 s PHE 41 Cb -0.05 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 2x23 s PHE 41 CO -0.01 -0.41 0.00 -3.47 -1.46 0.00 0.00 175.22 169.87 2x23 n ASP 42 N 3.70 0.00 -3.54 6.13 2.03 -1.26 -4.53 116.55 119.07 2x23 n ASP 42 Ca -0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 2x23 n ASP 42 Cb 0.52 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 2x23 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2x23 n ARG 43 N 0.00 4.98 0.09 -0.67 1.74 -1.26 -4.76 116.66 116.78 2x23 n ARG 43 Ca 0.00 -4.03 0.02 0.00 -0.77 0.00 0.00 57.85 53.07 2x23 n ARG 43 Cb 0.00 -2.55 0.37 0.00 -1.02 0.00 0.00 32.46 29.26 2x23 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2x23 h LEU 44 N 4.89 0.28 -0.14 0.55 -0.00 -1.93 -1.34 115.31 117.63 2x23 h LEU 44 Ca 0.62 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 58.41 2x23 h LEU 44 Cb 0.31 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2x23 h LEU 44 CO 1.33 0.42 -0.05 0.03 -0.00 0.00 0.00 178.44 180.17 2x23 h ARG 45 N 0.29 0.27 -0.07 1.13 3.08 -1.99 -0.41 114.38 116.68 2x23 h ARG 45 Ca 0.06 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2x23 h ARG 45 Cb 0.36 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2x23 h ARG 45 CO 0.02 0.59 -0.07 1.25 -1.07 0.00 0.00 179.97 180.69 2x23 h LEU 46 N -0.05 -0.22 -0.81 3.04 5.85 -1.87 -2.31 115.31 118.94 2x23 h LEU 46 Ca 0.03 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2x23 h LEU 46 Cb 0.50 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 2x23 h LEU 46 CO 0.02 -0.10 0.44 0.40 -0.34 0.00 0.00 178.44 178.86 2x23 h ILE 47 N -0.09 0.86 -0.62 4.05 2.04 -1.14 0.23 117.51 122.85 2x23 h ILE 47 Ca 0.05 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2x23 h ILE 47 Cb 0.16 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2x23 h ILE 47 CO -0.13 0.13 0.31 1.56 0.00 0.00 0.00 178.15 180.03 2x23 h GLN 48 N 0.72 0.88 -0.83 2.37 1.08 -0.80 0.13 115.11 118.66 2x23 h GLN 48 Ca 0.40 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 2x23 h GLN 48 Cb 0.42 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 2x23 h GLN 48 CO -0.27 0.69 0.37 0.00 -0.95 0.00 0.00 178.83 178.67 2x23 h ARG 49 N 0.84 1.21 -0.25 1.46 3.08 -0.79 -2.43 114.38 117.51 2x23 h ARG 49 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2x23 h ARG 49 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2x23 h ARG 49 CO -0.03 0.95 0.13 0.82 -1.07 0.00 0.00 179.97 180.77 2x23 h ILE 50 N 1.20 1.14 0.00 2.04 1.08 -0.39 -2.98 117.51 119.59 2x23 h ILE 50 Ca 0.28 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2x23 h ILE 50 Cb 0.16 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2x23 h ILE 50 CO -0.03 0.14 0.00 0.71 -0.69 0.00 0.00 178.15 178.28 2x23 h THR 51 N 0.28 0.00 0.00 -0.27 1.35 -0.60 0.89 112.91 114.57 2x23 h THR 51 Ca 0.09 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2x23 h THR 51 Cb 0.10 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2x23 h THR 51 CO -0.01 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.70 2x23 h ASP 52 N 0.00 0.00 0.57 5.36 5.19 -1.28 -2.54 116.42 123.72 2x23 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2x23 h ASP 52 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2x23 h ASP 52 CO 0.00 0.00 -0.46 0.54 -3.12 0.00 0.00 179.24 176.20 2x23 n ARG 53 N -2.98 0.02 -1.76 3.56 1.74 0.31 -4.89 116.66 112.65 2x23 n ARG 53 Ca -0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 2x23 n ARG 53 Cb 0.08 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.06 2x23 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2x23 s LEU 54 N -3.06 3.45 0.49 0.55 1.43 -0.96 -4.95 118.68 115.63 2x23 s LEU 54 Ca 0.11 2.17 0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2x23 s LEU 54 Cb 0.17 -4.57 1.19 0.00 0.03 0.00 0.00 46.19 43.02 2x23 s LEU 54 CO 0.68 -1.75 2.06 -0.65 0.23 0.00 0.00 176.35 176.92 2x23 h PRO 55 N 0.20 0.16 -4.62 1.29 0.11 -1.90 -3.42 132.00 123.82 2x23 h PRO 55 Ca -0.48 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.31 2x23 h PRO 55 Cb 1.27 -0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.11 2x23 h PRO 55 CO 0.53 0.10 -0.75 0.00 -0.21 0.00 0.00 178.00 177.68 2x23 s ALA 56 N -5.18 0.63 0.32 -0.75 0.00 -1.26 -5.13 121.76 110.39 2x23 s ALA 56 Ca -0.06 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 2x23 s ALA 56 Cb 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 23.17 2x23 s ALA 56 CO 0.71 0.06 0.90 0.21 0.00 0.00 0.00 175.76 177.64 2x23 s LYS 57 N -1.10 4.47 0.05 0.00 2.47 -1.26 -5.00 119.74 119.37 2x23 s LYS 57 Ca -0.05 1.21 0.03 0.00 -1.56 0.00 0.00 55.97 55.60 2x23 s LYS 57 Cb -0.07 -2.73 -0.03 0.00 -1.46 0.00 0.00 37.83 33.54 2x23 s LYS 57 CO 0.00 0.26 -0.09 0.00 0.16 0.00 0.00 175.35 175.68 2x23 s ALA 58 N -1.68 0.71 0.43 3.13 0.00 -1.26 -4.96 121.76 118.14 2x23 s ALA 58 Ca 0.50 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 2x23 s ALA 58 Cb -0.17 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2x23 s ALA 58 CO 0.22 0.01 1.33 -1.25 0.00 0.00 0.00 175.76 176.07 2x23 s PRO 59 N -1.70 3.84 -0.21 0.00 0.04 -1.26 -4.80 135.00 130.92 2x23 s PRO 59 Ca -0.08 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 2x23 s PRO 59 Cb -0.09 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2x23 s PRO 59 CO 0.01 -0.62 0.05 -1.17 0.04 0.00 0.00 177.00 175.31 2x23 s LEU 60 N -2.60 3.58 -0.07 -3.56 2.96 -1.26 -0.81 118.68 116.92 2x23 s LEU 60 Ca 0.59 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2x23 s LEU 60 Cb -0.39 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 2x23 s LEU 60 CO 0.50 0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.83 2x23 s LEU 61 N 0.87 3.42 0.08 -0.68 1.43 0.12 -4.98 118.68 118.94 2x23 s LEU 61 Ca 0.03 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 2x23 s LEU 61 Cb -0.14 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 2x23 s LEU 61 CO 0.02 0.36 1.27 -0.70 0.23 0.00 0.00 176.35 177.53 2x23 s GLU 62 N -0.95 4.39 -0.24 1.70 2.12 -1.26 -1.15 118.70 123.31 2x23 s GLU 62 Ca 0.14 1.88 -0.03 0.00 0.36 0.00 0.00 54.97 57.32 2x23 s GLU 62 Cb -0.11 -3.32 0.10 0.00 0.26 0.00 0.00 34.13 31.06 2x23 s GLU 62 CO 0.03 -0.33 0.22 -1.17 -0.54 0.00 0.00 175.26 173.47 2x23 s LEU 63 N 1.14 -0.00 -0.43 2.70 2.96 -0.35 -4.85 118.68 119.84 2x23 s LEU 63 Ca 0.61 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.71 2x23 s LEU 63 Cb -0.32 0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.64 2x23 s LEU 63 CO 0.29 -0.37 0.71 -0.62 -1.32 0.00 0.00 176.35 175.04 2x23 s ASP 64 N 2.28 6.38 0.29 3.68 -1.08 -1.26 -4.22 116.67 122.74 2x23 s ASP 64 Ca 0.08 -0.17 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 2x23 s ASP 64 Cb -0.15 -2.35 1.06 0.00 -1.46 0.00 0.00 42.92 40.02 2x23 s ASP 64 CO -0.22 -0.82 1.64 1.33 0.52 0.00 0.00 175.17 177.61 2x23 n VAL 65 N 5.95 1.05 1.41 1.11 0.24 -1.26 -0.87 118.33 125.95 2x23 n VAL 65 Ca 0.00 0.61 0.14 0.00 -2.04 0.00 0.00 64.34 63.05 2x23 n VAL 65 Cb 0.48 -1.59 0.56 0.00 -1.47 0.00 0.00 33.84 31.81 2x23 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x23 n GLN 66 N -2.21 0.86 -3.39 7.34 6.02 -1.26 -4.79 117.38 119.95 2x23 n GLN 66 Ca -0.01 -0.38 -0.44 0.00 -0.01 0.00 0.00 57.00 56.17 2x23 n GLN 66 Cb 0.08 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 2x23 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2x23 s ASN 67 N -2.40 6.14 0.36 1.08 3.84 -0.05 -4.95 114.94 118.96 2x23 s ASN 67 Ca 0.30 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 52.24 2x23 s ASN 67 Cb 0.20 -2.18 0.68 0.00 -0.55 0.00 0.00 41.25 39.40 2x23 s ASN 67 CO 0.46 -0.60 1.98 -0.33 -2.79 0.00 0.00 177.10 175.82 2x23 h GLU 68 N 8.73 0.66 -0.67 0.43 4.39 -1.86 -1.92 114.58 124.34 2x23 h GLU 68 Ca -0.28 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 2x23 h GLU 68 Cb 1.11 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 2x23 h GLU 68 CO 0.84 0.50 0.30 0.93 -1.16 0.00 0.00 179.01 180.43 2x23 h GLU 69 N 0.67 0.97 -0.70 2.33 5.08 -1.94 -0.29 114.58 120.69 2x23 h GLU 69 Ca 0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x23 h GLU 69 Cb 0.05 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2x23 h GLU 69 CO -0.03 0.79 0.44 0.45 -1.00 0.00 0.00 179.01 179.67 2x23 h HIS 70 N 0.93 0.91 -0.44 4.33 3.86 -1.67 -2.06 115.15 121.00 2x23 h HIS 70 Ca 0.23 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 2x23 h HIS 70 Cb 0.15 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2x23 h HIS 70 CO 0.01 0.60 -0.24 -0.07 0.86 0.00 0.00 177.93 179.09 2x23 h LEU 71 N 0.96 0.94 -1.28 2.43 3.38 -1.13 -2.33 115.31 118.28 2x23 h LEU 71 Ca 0.26 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2x23 h LEU 71 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2x23 h LEU 71 CO -0.05 1.13 -0.35 0.00 0.09 0.00 0.00 178.44 179.25 2x23 h ALA 72 N 0.93 1.33 -0.00 1.53 0.00 -0.83 -3.05 119.26 119.16 2x23 h ALA 72 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2x23 h ALA 72 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2x23 h ALA 72 CO 0.07 0.44 -0.65 -1.13 0.00 0.00 0.00 179.25 177.98 2x23 n SER 73 N -4.00 1.08 -0.03 0.00 3.41 -0.79 -4.66 113.62 108.62 2x23 n SER 73 Ca -0.02 -0.89 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 2x23 n SER 73 Cb 0.40 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 2x23 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2x23 h LEU 74 N 0.67 -0.01 -0.74 1.04 5.85 -1.31 -1.20 115.31 119.61 2x23 h LEU 74 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2x23 h LEU 74 Cb 0.55 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2x23 h LEU 74 CO 0.00 0.02 0.24 0.00 -0.34 0.00 0.00 178.44 178.36 2x23 h ALA 75 N 1.13 0.97 -0.84 1.25 0.00 -1.79 0.19 119.26 120.17 2x23 h ALA 75 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2x23 h ALA 75 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2x23 h ALA 75 CO -0.11 0.65 0.47 0.78 0.00 0.00 0.00 179.25 181.03 2x23 h GLY 76 N 1.10 1.24 1.75 0.00 0.00 -1.77 0.60 103.07 106.00 2x23 h GLY 76 Ca 0.24 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 2x23 h GLY 76 CO -0.01 0.53 -0.74 3.21 0.00 0.00 0.00 176.54 179.53 2x23 h ARG 77 N 1.16 0.24 -0.48 4.80 3.08 -0.60 -1.80 114.38 120.79 2x23 h ARG 77 Ca 0.30 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2x23 h ARG 77 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2x23 h ARG 77 CO -0.05 0.88 0.04 0.28 -1.07 0.00 0.00 179.97 180.05 2x23 h VAL 78 N 0.16 1.26 -0.26 2.04 2.07 -0.30 -2.57 116.25 118.64 2x23 h VAL 78 Ca -0.03 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 2x23 h VAL 78 Cb 1.31 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2x23 h VAL 78 CO 0.12 0.35 -0.02 0.74 0.02 0.00 0.00 177.57 178.77 2x23 h THR 79 N 0.67 1.17 -0.66 2.57 2.02 -0.66 -0.02 112.91 118.01 2x23 h THR 79 Ca 0.14 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.65 2x23 h THR 79 Cb 0.45 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2x23 h THR 79 CO 0.02 0.23 0.40 -0.33 0.37 0.00 0.00 175.52 176.22 2x23 h GLU 80 N 0.39 0.77 -0.01 6.66 5.08 -1.23 0.19 114.58 126.43 2x23 h GLU 80 Ca 0.09 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 2x23 h GLU 80 Cb 0.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2x23 h GLU 80 CO 0.01 0.51 -0.92 0.00 -1.00 0.00 0.00 179.01 177.61 2x23 h ALA 81 N 1.29 0.39 0.00 3.43 0.00 -0.75 -3.35 119.26 120.27 2x23 h ALA 81 Ca 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2x23 h ALA 81 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2x23 h ALA 81 CO -0.11 0.81 -1.22 0.44 0.00 0.00 0.00 179.25 179.17 2x23 n ILE 82 N -3.75 0.01 0.00 0.00 -5.35 -0.16 -5.07 119.36 105.03 2x23 n ILE 82 Ca -0.06 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2x23 n ILE 82 Cb 0.82 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 2x23 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x23 n GLY 83 N 1.44 2.15 3.72 3.28 0.00 0.05 -4.73 105.19 111.10 2x23 n GLY 83 Ca 0.02 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 2x23 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x23 n ALA 84 N 1.97 1.40 -0.00 4.61 0.00 -1.25 -2.34 120.51 124.90 2x23 n ALA 84 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2x23 n ALA 84 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2x23 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x23 n GLY 85 N 0.81 2.13 3.80 0.00 0.00 -1.26 -5.03 105.19 105.64 2x23 n GLY 85 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2x23 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x23 s ASN 86 N -3.42 5.64 0.21 1.61 0.01 -0.99 -5.14 114.94 112.86 2x23 s ASN 86 Ca 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 2x23 s ASN 86 Cb 0.00 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 40.07 2x23 s ASN 86 CO 0.00 0.15 0.02 -0.54 -1.51 0.00 0.00 177.10 175.22 2x23 s LYS 87 N -2.57 1.26 0.39 -0.60 1.02 -1.26 -4.86 119.74 113.12 2x23 s LYS 87 Ca 0.30 -1.64 -0.19 0.00 0.02 0.00 0.00 55.97 54.46 2x23 s LYS 87 Cb -0.12 -0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 36.68 2x23 s LYS 87 CO 0.23 -0.15 0.88 -0.51 -0.92 0.00 0.00 175.35 174.88 2x23 s LEU 88 N -3.25 3.99 -0.02 3.17 1.43 0.79 -4.71 118.68 120.07 2x23 s LEU 88 Ca 0.28 1.56 0.18 0.00 -1.03 0.00 0.00 54.13 55.13 2x23 s LEU 88 Cb 0.06 -4.38 -0.27 0.00 0.03 0.00 0.00 46.19 41.64 2x23 s LEU 88 CO 0.08 -0.30 0.40 0.47 0.23 0.00 0.00 176.35 177.23 2x23 n ASP 89 N -0.51 0.96 -3.75 2.29 8.00 0.75 -0.68 116.55 123.61 2x23 n ASP 89 Ca 0.06 -0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 2x23 n ASP 89 Cb 0.54 1.76 -0.08 0.00 -0.02 0.00 0.00 41.12 43.32 2x23 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2x23 s GLY 90 N -3.96 -0.16 -0.03 0.44 0.00 -0.96 -1.06 107.32 101.59 2x23 s GLY 90 Ca -0.06 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.01 2x23 s GLY 90 CO 0.73 0.11 -0.07 0.14 0.00 0.00 0.00 173.10 174.01 2x23 s VAL 91 N -1.46 0.69 -0.17 1.40 1.01 -0.09 -1.27 120.40 120.51 2x23 s VAL 91 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2x23 s VAL 91 Cb -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2x23 s VAL 91 CO 0.04 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 2x23 s VAL 92 N 0.44 2.43 -0.36 2.92 1.01 0.11 -0.64 120.40 126.32 2x23 s VAL 92 Ca -0.07 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2x23 s VAL 92 Cb -0.11 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2x23 s VAL 92 CO 0.01 0.52 0.29 -2.28 0.00 0.00 0.00 175.10 173.63 2x23 s HIS 93 N 1.09 3.22 -0.43 5.22 2.46 0.06 -1.67 115.29 125.24 2x23 s HIS 93 Ca -0.00 -0.23 0.10 0.00 0.47 0.00 0.00 55.06 55.40 2x23 s HIS 93 Cb -0.14 -2.56 0.35 0.00 -0.13 0.00 0.00 32.58 30.09 2x23 s HIS 93 CO -0.06 -0.43 0.79 0.45 -2.47 0.00 0.00 174.74 173.02 2x23 n SER 94 N 5.20 1.86 -4.14 9.88 2.88 -1.25 -2.28 113.62 125.77 2x23 n SER 94 Ca -0.11 -3.20 -0.21 0.00 -1.33 0.00 0.00 58.87 54.02 2x23 n SER 94 Cb 0.49 -0.60 -0.14 0.00 -0.75 0.00 0.00 64.21 63.21 2x23 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2x23 s ILE 95 N -2.99 1.13 -0.15 2.46 1.01 -1.26 -4.29 121.20 117.11 2x23 s ILE 95 Ca 0.42 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 2x23 s ILE 95 Cb 0.33 -1.01 0.12 0.00 0.01 0.00 0.00 42.46 41.92 2x23 s ILE 95 CO -0.10 0.07 0.98 -0.83 0.00 0.00 0.00 174.94 175.06 2x23 s GLY 96 N -0.98 -0.28 -0.14 6.18 0.00 -1.26 -4.67 107.32 106.17 2x23 s GLY 96 Ca 0.03 1.99 -0.28 0.00 0.00 0.00 0.00 44.72 46.46 2x23 s GLY 96 CO 0.01 1.03 0.68 -0.12 0.00 0.00 0.00 173.10 174.70 2x23 s PHE 97 N -1.10 -0.69 -0.14 1.90 5.36 -1.26 -4.94 117.98 117.11 2x23 s PHE 97 Ca -0.02 1.42 -0.07 0.00 -0.96 0.00 0.00 56.93 57.30 2x23 s PHE 97 Cb -0.00 0.34 0.05 0.00 -0.34 0.00 0.00 43.02 43.07 2x23 s PHE 97 CO 0.02 -0.50 0.33 1.41 -1.46 0.00 0.00 175.22 175.02 2x23 s MET 98 N -0.54 0.30 0.83 10.12 -2.45 -1.26 -4.35 119.30 121.95 2x23 s MET 98 Ca -0.06 0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 54.92 2x23 s MET 98 Cb -0.02 -0.05 0.04 0.00 1.25 0.00 0.00 34.83 36.04 2x23 s MET 98 CO 0.06 -0.17 0.78 -2.30 1.05 0.00 0.00 175.02 174.45 2x23 n PRO 99 N 4.34 0.05 -0.36 4.11 -0.02 -1.26 -4.87 135.00 137.00 2x23 n PRO 99 Ca -0.23 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.38 2x23 n PRO 99 Cb 0.54 -2.10 0.21 0.00 -0.02 0.00 0.00 33.50 32.13 2x23 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2x23 h GLN 100 N -0.98 1.06 -0.30 -0.52 1.08 -1.94 -0.27 115.11 113.23 2x23 h GLN 100 Ca -0.45 -0.06 0.09 0.00 -1.45 0.00 0.00 58.65 56.77 2x23 h GLN 100 Cb 1.31 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 2x23 h GLN 100 CO 0.41 0.70 0.40 1.79 -0.95 0.00 0.00 178.83 181.19 2x23 h THR 101 N 1.09 0.30 -0.38 -0.54 1.35 -1.96 -1.13 112.91 111.64 2x23 h THR 101 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 2x23 h THR 101 Cb 0.30 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2x23 h THR 101 CO -0.21 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.67 2x23 n GLY 102 N -1.42 1.13 3.14 5.82 0.00 -0.11 -4.27 105.19 109.48 2x23 n GLY 102 Ca 0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2x23 n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x23 s MET 103 N -1.49 0.77 5.77 1.61 1.00 -0.43 -1.54 119.30 124.97 2x23 s MET 103 Ca 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 55.69 54.73 2x23 s MET 103 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 34.83 35.01 2x23 s MET 103 CO 0.26 -0.08 0.00 0.41 0.00 0.00 0.00 175.02 175.60 2x23 n GLY 104 N 0.00 1.56 0.42 -0.03 0.00 0.63 -2.78 105.19 105.00 2x23 n GLY 104 Ca -0.12 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2x23 n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x23 n ILE 105 N 0.00 0.12 -2.41 -0.61 -5.35 -0.36 -4.02 119.36 106.74 2x23 n ILE 105 Ca 0.00 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 2x23 n ILE 105 Cb 0.00 0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 2x23 n ILE 105 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2x23 s ASN 106 N -1.70 7.06 0.17 7.28 0.01 -1.12 -4.92 114.94 121.72 2x23 s ASN 106 Ca 0.34 2.03 -0.33 0.00 -0.71 0.00 0.00 52.86 54.19 2x23 s ASN 106 Cb 0.18 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 39.13 2x23 s ASN 106 CO 0.28 -0.49 1.65 -2.65 -1.51 0.00 0.00 177.10 174.39 2x23 n PRO 107 N 3.99 2.43 -0.32 -0.60 -0.02 -1.26 -4.72 135.00 134.50 2x23 n PRO 107 Ca 0.09 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.55 2x23 n PRO 107 Cb 0.46 -2.68 0.27 0.00 -0.02 0.00 0.00 33.50 31.53 2x23 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2x23 h PHE 108 N 6.46 0.84 0.00 6.00 3.57 -1.91 -1.26 116.94 130.64 2x23 h PHE 108 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2x23 h PHE 108 Cb 1.23 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2x23 h PHE 108 CO 0.64 0.15 0.00 1.19 -2.23 0.00 0.00 178.31 178.07 2x23 n PHE 109 N -4.87 0.76 1.17 0.41 3.72 -1.26 -3.24 117.46 114.15 2x23 n PHE 109 Ca 0.20 0.28 0.12 0.00 -0.05 0.00 0.00 57.45 58.01 2x23 n PHE 109 Cb 0.52 -0.96 0.24 0.00 -0.94 0.00 0.00 39.48 38.34 2x23 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2x23 n ASP 110 N -2.18 1.72 -4.64 4.37 9.92 -0.47 -4.83 116.55 120.43 2x23 n ASP 110 Ca 0.03 -1.36 -0.43 0.00 -0.53 0.00 0.00 54.79 52.50 2x23 n ASP 110 Cb 0.25 0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 2x23 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x23 s ALA 111 N -2.34 3.49 0.67 2.24 0.00 -1.20 -5.01 121.76 119.61 2x23 s ALA 111 Ca 0.25 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 2x23 s ALA 111 Cb 0.19 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2x23 s ALA 111 CO 0.47 -1.52 1.15 -1.25 0.00 0.00 0.00 175.76 174.62 2x23 s PRO 112 N 3.84 2.64 0.44 0.00 0.04 -1.26 -4.88 135.00 135.82 2x23 s PRO 112 Ca 0.53 1.58 0.14 0.00 0.04 0.00 0.00 61.00 63.29 2x23 s PRO 112 Cb -0.17 -1.91 0.96 0.00 0.04 0.00 0.00 34.50 33.42 2x23 s PRO 112 CO 0.18 -1.41 1.98 -0.92 0.04 0.00 0.00 177.00 176.87 2x23 h TYR 113 N 0.11 0.04 -0.97 0.56 3.20 -1.99 -2.17 116.97 115.76 2x23 h TYR 113 Ca -0.48 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.49 2x23 h TYR 113 Cb 1.27 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 2x23 h TYR 113 CO 0.51 0.21 0.62 0.00 -1.64 0.00 0.00 178.16 177.86 2x23 h ALA 114 N 1.79 1.54 -0.03 1.82 0.00 -1.99 0.50 119.26 122.88 2x23 h ALA 114 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2x23 h ALA 114 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2x23 h ALA 114 CO 0.02 0.26 -0.14 -0.44 0.00 0.00 0.00 179.25 178.96 2x23 h ASP 115 N 1.00 0.18 -0.57 0.00 3.32 -1.79 -2.59 116.42 115.98 2x23 h ASP 115 Ca 0.45 -0.64 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2x23 h ASP 115 Cb 0.39 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2x23 h ASP 115 CO -0.21 0.79 0.35 0.58 -1.72 0.00 0.00 179.24 179.02 2x23 h VAL 116 N -0.42 1.17 -0.79 -1.35 2.07 -0.93 -2.12 116.25 113.89 2x23 h VAL 116 Ca -0.01 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.18 2x23 h VAL 116 Cb 0.78 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2x23 h VAL 116 CO 0.03 0.17 0.49 -1.28 0.02 0.00 0.00 177.57 177.00 2x23 h SER 117 N 0.77 0.78 -0.60 0.57 0.87 -0.06 0.32 113.55 116.20 2x23 h SER 117 Ca 0.20 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2x23 h SER 117 Cb -0.02 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2x23 h SER 117 CO -0.04 0.52 0.27 0.50 -0.53 0.00 0.00 176.83 177.56 2x23 h LYS 118 N 0.92 0.87 -0.40 2.24 3.64 -1.13 0.73 116.57 123.44 2x23 h LYS 118 Ca 0.33 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2x23 h LYS 118 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2x23 h LYS 118 CO -0.14 0.72 0.12 0.78 -2.27 0.00 0.00 179.45 178.65 2x23 h GLY 119 N 0.82 0.68 1.60 5.01 0.00 -0.68 -1.68 103.07 108.81 2x23 h GLY 119 Ca 0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2x23 h GLY 119 CO -0.02 0.38 -0.33 -2.22 0.00 0.00 0.00 176.54 174.35 2x23 h ILE 120 N 0.50 1.28 0.41 2.60 2.04 -0.78 -0.91 117.51 122.65 2x23 h ILE 120 Ca 0.13 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2x23 h ILE 120 Cb 0.28 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2x23 h ILE 120 CO -0.00 0.44 -0.36 -0.74 0.00 0.00 0.00 178.15 177.49 2x23 h HIS 121 N 0.39 -0.97 -0.59 1.37 2.76 -0.50 -0.74 115.15 116.88 2x23 h HIS 121 Ca 0.05 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 2x23 h HIS 121 Cb 0.77 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 2x23 h HIS 121 CO 0.02 -0.51 -0.01 0.82 -1.30 0.00 0.00 177.93 176.95 2x23 h ILE 122 N -0.78 1.26 0.00 6.26 2.04 -1.26 -1.48 117.51 123.56 2x23 h ILE 122 Ca -0.03 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 2x23 h ILE 122 Cb 0.68 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2x23 h ILE 122 CO -0.03 0.42 -1.76 -1.20 0.00 0.00 0.00 178.15 175.57 2x23 n SER 123 N -4.18 0.23 0.06 1.72 7.64 -0.35 -4.41 113.62 114.32 2x23 n SER 123 Ca 0.03 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2x23 n SER 123 Cb 0.35 1.55 0.00 0.00 -1.01 0.00 0.00 64.21 65.10 2x23 n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x23 n ALA 124 N -2.26 3.00 -0.28 -0.43 0.00 -0.37 -4.80 120.51 115.37 2x23 n ALA 124 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2x23 n ALA 124 Cb 0.59 0.17 0.24 0.00 0.00 0.00 0.00 19.45 20.45 2x23 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2x23 h TYR 125 N 0.00 1.02 0.00 0.00 5.03 -1.31 -1.29 116.97 120.42 2x23 h TYR 125 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2x23 h TYR 125 Cb 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 37.94 2x23 h TYR 125 CO 0.00 0.56 0.04 0.66 -1.32 0.00 0.00 178.16 178.10 2x23 h SER 126 N 1.03 0.00 -0.45 -2.11 4.64 -1.47 -0.73 113.55 114.46 2x23 h SER 126 Ca 0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 2x23 h SER 126 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2x23 h SER 126 CO -0.12 0.00 0.08 0.22 -0.87 0.00 0.00 176.83 176.13 2x23 h TYR 127 N 0.00 0.78 -0.39 4.77 3.20 -1.53 -1.04 116.97 122.77 2x23 h TYR 127 Ca 0.00 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.66 2x23 h TYR 127 Cb 0.08 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2x23 h TYR 127 CO 0.00 0.74 -0.17 0.00 -1.64 0.00 0.00 178.16 177.09 2x23 h ALA 128 N 0.95 0.55 -0.37 1.82 0.00 -1.29 -2.67 119.26 118.25 2x23 h ALA 128 Ca 0.14 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2x23 h ALA 128 Cb 0.38 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2x23 h ALA 128 CO 0.01 0.48 -0.05 0.77 0.00 0.00 0.00 179.25 180.46 2x23 h SER 129 N 0.61 -0.25 -0.42 0.00 0.02 -1.18 0.25 113.55 112.58 2x23 h SER 129 Ca 0.09 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2x23 h SER 129 Cb 0.72 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2x23 h SER 129 CO 0.05 -0.08 -0.09 0.24 -1.14 0.00 0.00 176.83 175.81 2x23 h MET 130 N 0.05 0.86 -0.63 3.45 2.07 -1.21 -1.46 114.93 118.07 2x23 h MET 130 Ca 0.18 -0.29 -0.08 0.00 -2.07 0.00 0.00 59.70 57.44 2x23 h MET 130 Cb 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 2x23 h MET 130 CO -0.35 0.92 0.09 0.00 1.07 0.00 0.00 176.91 178.64 2x23 h ALA 131 N 1.11 0.84 -0.31 6.32 0.00 -1.06 -0.89 119.26 125.27 2x23 h ALA 131 Ca 0.13 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2x23 h ALA 131 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2x23 h ALA 131 CO 0.04 0.61 0.06 -0.22 0.00 0.00 0.00 179.25 179.73 2x23 h LYS 132 N 0.96 0.16 -0.31 0.00 3.64 -0.15 -0.80 116.57 120.07 2x23 h LYS 132 Ca 0.19 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 2x23 h LYS 132 Cb 0.45 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2x23 h LYS 132 CO 0.02 0.11 -0.28 0.00 -2.27 0.00 0.00 179.45 177.02 2x23 h ALA 133 N 1.23 0.93 0.00 5.00 0.00 -1.02 -3.37 119.26 122.03 2x23 h ALA 133 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2x23 h ALA 133 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2x23 h ALA 133 CO -0.19 0.61 -1.90 1.28 0.00 0.00 0.00 179.25 179.05 2x23 n LEU 134 N -4.09 0.00 -0.28 0.00 4.77 -0.36 -4.41 117.00 112.62 2x23 n LEU 134 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2x23 n LEU 134 Cb 0.45 0.15 0.19 0.00 -2.33 0.00 0.00 43.42 41.89 2x23 n LEU 134 CO 0.44 0.15 1.10 -0.07 -1.33 0.00 0.00 177.39 177.69 2x23 h LEU 135 N 0.00 0.54 -2.24 2.23 3.38 -1.31 0.13 115.31 118.04 2x23 h LEU 135 Ca -0.17 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2x23 h LEU 135 Cb 1.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2x23 h LEU 135 CO 0.01 0.26 0.14 -0.65 0.09 0.00 0.00 178.44 178.30 2x23 h PRO 136 N 0.65 0.00 -0.40 1.13 0.11 -1.78 -1.65 132.00 130.06 2x23 h PRO 136 Ca 0.43 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.26 2x23 h PRO 136 Cb 0.54 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.45 2x23 h PRO 136 CO -0.32 0.00 -0.46 0.44 -0.21 0.00 0.00 178.00 177.44 2x23 n ILE 137 N -2.80 2.47 -4.93 4.15 -5.35 0.02 -5.03 119.36 107.89 2x23 n ILE 137 Ca -0.02 -3.50 -0.32 0.00 -0.27 0.00 0.00 62.75 58.64 2x23 n ILE 137 Cb 0.20 -0.64 -0.14 0.00 -1.74 0.00 0.00 39.64 37.32 2x23 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2x23 s MET 138 N -3.41 2.31 0.39 6.28 -1.94 -0.62 -0.15 119.30 122.16 2x23 s MET 138 Ca 0.46 -0.82 -0.23 0.00 -1.71 0.00 0.00 55.69 53.39 2x23 s MET 138 Cb 0.40 -2.26 -0.10 0.00 2.01 0.00 0.00 34.83 34.88 2x23 s MET 138 CO -0.01 0.59 0.96 -0.80 -0.01 0.00 0.00 175.02 175.75 2x23 s ASN 139 N -0.87 7.02 0.55 3.03 0.02 0.15 -4.90 114.94 119.95 2x23 s ASN 139 Ca 0.12 1.79 -0.19 0.00 -1.02 0.00 0.00 52.86 53.55 2x23 s ASN 139 Cb -0.10 -2.56 -0.07 0.00 0.02 0.00 0.00 41.25 38.53 2x23 s ASN 139 CO 0.01 -0.30 0.81 -2.65 0.02 0.00 0.00 177.10 175.00 2x23 n PRO 140 N -0.19 0.83 -0.66 -0.60 -0.02 -1.25 -1.76 135.00 131.35 2x23 n PRO 140 Ca 0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2x23 n PRO 140 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2x23 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x23 n GLY 141 N 1.45 1.40 3.55 -1.23 0.00 -0.09 -5.00 105.19 105.27 2x23 n GLY 141 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2x23 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x23 s GLY 142 N -1.92 1.54 -0.17 -0.02 0.00 -0.72 -4.85 107.32 101.18 2x23 s GLY 142 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 2x23 s GLY 142 CO 0.00 0.21 0.38 -0.45 0.00 0.00 0.00 173.10 173.24 2x23 s SER 143 N -3.33 -0.37 -0.14 1.64 0.15 -0.22 -1.28 113.70 110.14 2x23 s SER 143 Ca 0.68 0.85 -0.02 0.00 0.70 0.00 0.00 55.95 58.16 2x23 s SER 143 Cb -0.17 0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2x23 s SER 143 CO 0.59 -0.20 -0.08 -0.63 1.20 0.00 0.00 173.24 174.11 2x23 s ILE 144 N 1.71 3.48 -0.05 6.45 1.01 0.57 -0.91 121.20 133.46 2x23 s ILE 144 Ca -0.07 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2x23 s ILE 144 Cb -0.10 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.89 2x23 s ILE 144 CO -0.12 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.53 2x23 s VAL 145 N 0.28 1.01 0.33 2.92 1.01 0.19 -1.23 120.40 124.91 2x23 s VAL 145 Ca -0.06 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.56 2x23 s VAL 145 Cb -0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 2x23 s VAL 145 CO 0.04 0.32 -0.09 -0.83 0.00 0.00 0.00 175.10 174.54 2x23 s GLY 146 N 0.41 2.11 -0.15 4.51 0.00 -0.40 -0.76 107.32 113.04 2x23 s GLY 146 Ca -0.08 -2.03 -0.07 0.00 0.00 0.00 0.00 44.72 42.54 2x23 s GLY 146 CO 0.02 -1.99 0.09 1.06 0.00 0.00 0.00 173.10 172.27 2x23 s MET 147 N -3.61 3.73 0.25 2.90 -1.94 -0.97 -0.46 119.30 119.20 2x23 s MET 147 Ca 0.32 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 54.11 2x23 s MET 147 Cb 0.01 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.61 2x23 s MET 147 CO 0.17 0.48 -0.11 0.34 -0.01 0.00 0.00 175.02 175.89 2x23 s ASP 148 N -0.19 2.81 -0.07 3.03 2.15 0.47 -4.91 116.67 119.96 2x23 s ASP 148 Ca 0.09 -1.11 -0.01 0.00 0.43 0.00 0.00 52.55 51.95 2x23 s ASP 148 Cb -0.12 -0.18 0.03 0.00 -0.30 0.00 0.00 42.92 42.35 2x23 s ASP 148 CO 0.01 -0.23 -0.01 0.12 -0.17 0.00 0.00 175.17 174.89 2x23 s PHE 149 N -2.93 0.75 -0.43 -5.34 2.19 -1.26 -2.07 117.98 108.88 2x23 s PHE 149 Ca 0.27 -0.22 -0.38 0.00 0.33 0.00 0.00 56.93 56.93 2x23 s PHE 149 Cb 0.01 -0.84 -0.14 0.00 -1.31 0.00 0.00 43.02 40.74 2x23 s PHE 149 CO 0.10 -0.34 2.20 -3.47 1.83 0.00 0.00 175.22 175.54 2x23 n ASP 150 N 5.10 1.56 -1.53 6.13 2.03 -1.26 -4.85 116.55 123.74 2x23 n ASP 150 Ca -0.08 0.47 0.08 0.00 0.52 0.00 0.00 54.79 55.78 2x23 n ASP 150 Cb 0.50 -1.13 0.35 0.00 -0.72 0.00 0.00 41.12 40.12 2x23 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2x23 n PRO 151 N 7.99 4.09 0.27 -0.67 -0.04 -1.26 -4.64 135.00 140.75 2x23 n PRO 151 Ca 0.47 -2.99 0.18 0.00 -0.04 0.00 0.00 63.50 61.12 2x23 n PRO 151 Cb 0.13 -2.05 0.84 0.00 -0.04 0.00 0.00 33.50 32.38 2x23 n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2x23 h SER 152 N 3.37 0.00 -4.56 3.54 4.64 -1.94 -3.42 113.55 115.18 2x23 h SER 152 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2x23 h SER 152 Cb 1.69 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.57 2x23 h SER 152 CO 0.35 0.00 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.42 2x23 s ARG 153 N -3.78 0.74 0.65 4.77 0.52 -1.26 -5.15 118.95 115.44 2x23 s ARG 153 Ca -0.01 -0.90 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 2x23 s ARG 153 Cb 0.10 -0.68 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 2x23 s ARG 153 CO 0.45 0.15 1.05 0.00 0.02 0.00 0.00 175.30 176.96 2x23 s ALA 154 N -1.30 3.02 0.18 2.13 0.00 -1.26 -5.08 121.76 119.45 2x23 s ALA 154 Ca -0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.45 2x23 s ALA 154 Cb -0.10 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 20.06 2x23 s ALA 154 CO 0.02 -0.90 0.58 0.00 0.00 0.00 0.00 175.76 175.46 2x23 s MET 155 N -5.24 1.35 0.65 0.00 0.23 -1.26 -5.14 119.30 109.89 2x23 s MET 155 Ca 0.56 -0.66 -0.17 0.00 -1.03 0.00 0.00 55.69 54.39 2x23 s MET 155 Cb -0.11 0.56 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2x23 s MET 155 CO 0.52 -0.59 1.09 -2.30 -2.03 0.00 0.00 175.02 171.71 2x23 n PRO 156 N -0.36 0.85 0.00 3.16 -0.02 -1.26 -4.13 135.00 133.23 2x23 n PRO 156 Ca -0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2x23 n PRO 156 Cb 0.63 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2x23 n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x23 n ALA 157 N -2.04 0.00 0.15 3.55 0.00 -1.26 -4.57 120.51 116.35 2x23 n ALA 157 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2x23 n ALA 157 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 2x23 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2x23 h TYR 158 N 0.00 0.00 0.00 0.00 3.20 -1.88 0.18 116.97 118.47 2x23 h TYR 158 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x23 h TYR 158 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x23 h TYR 158 CO 0.00 0.51 0.00 0.09 -1.64 0.00 0.00 178.16 177.12 2x23 n ASN 159 N -3.40 0.00 0.22 -2.11 4.13 -1.26 -0.96 115.26 111.88 2x23 n ASN 159 Ca 0.01 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.41 2x23 n ASN 159 Cb 0.65 0.00 0.54 0.00 -1.54 0.00 0.00 39.78 39.44 2x23 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2x23 h TRP 160 N 0.00 0.00 -0.18 3.10 4.06 -1.61 -2.22 115.95 119.10 2x23 h TRP 160 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 2x23 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2x23 h TRP 160 CO 0.00 0.00 -0.20 1.98 -3.56 0.00 0.00 178.44 176.66 2x23 h MET 161 N 0.00 0.31 -0.74 0.49 4.05 -1.20 -1.70 114.93 116.15 2x23 h MET 161 Ca 0.00 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2x23 h MET 161 Cb 0.56 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 2x23 h MET 161 CO 0.00 0.50 0.45 1.15 0.23 0.00 0.00 176.91 179.25 2x23 h THR 162 N 0.28 1.06 -0.57 -0.77 2.02 -1.28 0.12 112.91 113.78 2x23 h THR 162 Ca 0.05 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 2x23 h THR 162 Cb 0.52 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2x23 h THR 162 CO 0.03 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.67 2x23 h VAL 163 N 0.86 1.26 -0.69 3.16 2.07 -1.49 -0.53 116.25 120.89 2x23 h VAL 163 Ca 0.31 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2x23 h VAL 163 Cb 0.08 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2x23 h VAL 163 CO -0.14 0.40 0.28 0.00 0.02 0.00 0.00 177.57 178.13 2x23 h ALA 164 N 0.97 0.89 -0.51 1.67 0.00 -0.82 -1.43 119.26 120.03 2x23 h ALA 164 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2x23 h ALA 164 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2x23 h ALA 164 CO 0.03 0.51 0.17 0.87 0.00 0.00 0.00 179.25 180.83 2x23 h LYS 165 N 0.98 0.79 -0.75 0.00 1.79 -0.46 0.77 116.57 119.69 2x23 h LYS 165 Ca 0.23 -0.16 0.10 0.00 -2.18 0.00 0.00 60.65 58.64 2x23 h LYS 165 Cb 0.21 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.66 2x23 h LYS 165 CO -0.02 0.73 0.38 0.77 -1.08 0.00 0.00 179.45 180.22 2x23 h SER 166 N 0.70 0.49 -0.37 0.86 0.02 -0.88 -0.06 113.55 114.30 2x23 h SER 166 Ca 0.17 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2x23 h SER 166 Cb 0.26 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2x23 h SER 166 CO -0.01 0.26 0.21 0.00 -1.14 0.00 0.00 176.83 176.15 2x23 h ALA 167 N 1.46 0.47 -0.76 3.77 0.00 -1.08 -2.66 119.26 120.47 2x23 h ALA 167 Ca 0.38 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2x23 h ALA 167 Cb 0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2x23 h ALA 167 CO -0.29 -0.01 0.45 1.25 0.00 0.00 0.00 179.25 180.65 2x23 h LEU 168 N 0.47 0.69 -0.98 0.00 5.85 0.20 0.17 115.31 121.71 2x23 h LEU 168 Ca 0.13 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2x23 h LEU 168 Cb 0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2x23 h LEU 168 CO -0.02 0.44 0.27 -0.33 -0.34 0.00 0.00 178.44 178.46 2x23 h GLU 169 N 0.82 1.00 -0.21 1.25 5.08 -0.92 0.88 114.58 122.48 2x23 h GLU 169 Ca 0.33 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2x23 h GLU 169 Cb 0.18 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2x23 h GLU 169 CO -0.18 0.82 -0.30 1.03 -1.00 0.00 0.00 179.01 179.38 2x23 h SER 170 N 0.98 0.63 -0.51 1.42 0.87 -0.89 -3.01 113.55 113.05 2x23 h SER 170 Ca 0.23 -0.51 0.07 0.00 -1.23 0.00 0.00 61.79 60.34 2x23 h SER 170 Cb 0.19 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 2x23 h SER 170 CO -0.02 1.02 0.19 0.58 -0.53 0.00 0.00 176.83 178.08 2x23 h VAL 171 N 0.26 0.84 -0.99 2.23 2.07 -0.31 -2.24 116.25 118.11 2x23 h VAL 171 Ca 0.02 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2x23 h VAL 171 Cb 0.88 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 2x23 h VAL 171 CO 0.07 0.07 0.62 -1.13 0.02 0.00 0.00 177.57 177.22 2x23 h ASN 172 N 0.38 0.88 -0.47 0.57 -1.24 -0.78 0.24 115.58 115.17 2x23 h ASN 172 Ca 0.25 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 2x23 h ASN 172 Cb 0.25 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2x23 h ASN 172 CO -0.24 0.45 0.11 0.03 -1.29 0.00 0.00 177.43 176.49 2x23 h ARG 173 N 0.94 0.81 0.05 6.67 3.08 -1.27 0.18 114.38 124.83 2x23 h ARG 173 Ca 0.50 -0.17 -0.24 0.00 0.07 0.00 0.00 59.98 60.14 2x23 h ARG 173 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2x23 h ARG 173 CO -0.27 0.75 -1.04 0.74 -1.07 0.00 0.00 179.97 179.08 2x23 h PHE 174 N 0.78 0.54 -0.98 3.04 -1.00 -1.11 -3.16 116.94 115.06 2x23 h PHE 174 Ca 0.17 -0.33 0.03 0.00 2.81 0.00 0.00 57.97 60.65 2x23 h PHE 174 Cb 0.31 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 39.77 2x23 h PHE 174 CO 0.02 1.18 0.65 0.28 -1.61 0.00 0.00 178.31 178.82 2x23 h VAL 175 N 0.17 1.20 -0.98 -0.55 2.07 -0.05 -1.85 116.25 116.26 2x23 h VAL 175 Ca -0.10 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.07 2x23 h VAL 175 Cb 1.70 -0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2x23 h VAL 175 CO 0.17 0.23 0.63 0.00 0.02 0.00 0.00 177.57 178.63 2x23 h ALA 176 N 1.41 1.46 -0.58 1.67 0.00 -0.64 0.19 119.26 122.78 2x23 h ALA 176 Ca 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2x23 h ALA 176 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2x23 h ALA 176 CO -0.11 0.37 0.22 0.00 0.00 0.00 0.00 179.25 179.74 2x23 h ARG 177 N 1.10 0.87 -0.11 0.00 3.08 -1.32 -0.78 114.38 117.22 2x23 h ARG 177 Ca 0.44 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 2x23 h ARG 177 Cb 0.25 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2x23 h ARG 177 CO -0.19 0.75 -0.09 0.93 -1.07 0.00 0.00 179.97 180.31 2x23 h GLU 178 N 0.80 0.26 -0.48 0.04 4.39 -0.95 -3.23 114.58 115.40 2x23 h GLU 178 Ca 0.19 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2x23 h GLU 178 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2x23 h GLU 178 CO -0.01 0.65 0.27 0.00 -1.16 0.00 0.00 179.01 178.75 2x23 h ALA 179 N 0.60 1.56 -0.01 3.43 0.00 -0.60 -2.24 119.26 122.01 2x23 h ALA 179 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2x23 h ALA 179 Cb 0.59 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2x23 h ALA 179 CO 0.02 0.37 0.00 0.78 0.00 0.00 0.00 179.25 180.43 2x23 h GLY 180 N 0.74 0.00 2.00 0.00 0.00 -1.13 0.49 103.07 105.17 2x23 h GLY 180 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2x23 h GLY 180 CO -0.03 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 176.99 2x23 h LYS 181 N 0.00 0.00 -0.02 4.80 1.57 -1.50 -1.58 116.57 119.83 2x23 h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2x23 h LYS 181 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2x23 h LYS 181 CO -0.00 0.02 -0.01 0.66 -0.57 0.00 0.00 179.45 179.55 2x23 n TYR 182 N -3.22 0.00 -1.81 -1.35 4.02 0.09 -4.96 117.16 109.93 2x23 n TYR 182 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.83 2x23 n TYR 182 Cb 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.48 2x23 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x23 n GLY 183 N 1.12 0.34 3.56 2.72 0.00 -0.59 -3.84 105.19 108.50 2x23 n GLY 183 Ca 0.11 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2x23 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x23 s VAL 184 N -2.20 3.49 0.26 1.61 1.01 -0.73 -0.91 120.40 122.93 2x23 s VAL 184 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2x23 s VAL 184 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2x23 s VAL 184 CO 0.00 0.48 0.50 -0.13 0.00 0.00 0.00 175.10 175.94 2x23 s ARG 185 N -1.14 3.59 -0.06 2.72 0.52 -0.41 -3.31 118.95 120.86 2x23 s ARG 185 Ca 0.15 -0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.22 2x23 s ARG 185 Cb -0.11 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.67 2x23 s ARG 185 CO 0.04 0.28 0.00 0.45 0.02 0.00 0.00 175.30 176.10 2x23 s SER 186 N -3.18 1.43 0.16 0.23 0.15 -1.26 -0.32 113.70 110.91 2x23 s SER 186 Ca 0.42 -0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 2x23 s SER 186 Cb -0.11 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 2x23 s SER 186 CO 0.30 -0.18 0.24 0.20 1.20 0.00 0.00 173.24 174.99 2x23 s ASN 187 N 1.86 0.10 0.08 5.45 0.01 -0.37 -0.03 114.94 122.05 2x23 s ASN 187 Ca 0.03 -0.95 0.07 0.00 -0.71 0.00 0.00 52.86 51.31 2x23 s ASN 187 Cb -0.12 0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.91 2x23 s ASN 187 CO -0.04 -0.86 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.78 2x23 s LEU 188 N -2.99 2.81 -0.24 0.60 1.43 -0.04 -1.27 118.68 118.98 2x23 s LEU 188 Ca 0.19 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2x23 s LEU 188 Cb 0.04 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2x23 s LEU 188 CO 0.01 0.21 0.03 -0.69 0.23 0.00 0.00 176.35 176.13 2x23 s VAL 189 N -1.09 3.94 -0.52 -1.59 1.01 0.39 -0.86 120.40 121.68 2x23 s VAL 189 Ca 0.18 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2x23 s VAL 189 Cb -0.11 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.48 2x23 s VAL 189 CO 0.10 0.36 0.74 0.00 0.00 0.00 0.00 175.10 176.29 2x23 s ALA 190 N 1.56 3.30 0.27 5.51 0.00 -0.01 -0.40 121.76 131.99 2x23 s ALA 190 Ca 0.06 -1.51 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 2x23 s ALA 190 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 2x23 s ALA 190 CO 0.01 -2.12 0.55 0.00 0.00 0.00 0.00 175.76 174.19 2x23 s ALA 191 N 3.12 3.62 1.03 0.00 0.00 -0.88 -0.80 121.76 127.85 2x23 s ALA 191 Ca 0.21 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2x23 s ALA 191 Cb -0.16 -2.33 0.23 0.00 0.00 0.00 0.00 23.12 20.86 2x23 s ALA 191 CO 0.15 0.33 1.28 0.20 0.00 0.00 0.00 175.76 177.72 2x23 s GLY 192 N -2.94 1.74 0.24 0.00 0.00 -0.87 -4.68 107.32 100.81 2x23 s GLY 192 Ca 0.45 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 2x23 s GLY 192 CO 0.28 -0.36 1.41 2.56 0.00 0.00 0.00 173.10 176.98 2x23 s PRO 193 N -5.80 4.30 -0.01 2.90 0.04 -1.26 -5.01 135.00 130.15 2x23 s PRO 193 Ca 0.74 2.24 0.03 0.00 0.04 0.00 0.00 61.00 64.05 2x23 s PRO 193 Cb -0.05 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 2x23 s PRO 193 CO 0.54 -0.38 -0.10 0.42 0.04 0.00 0.00 177.00 177.52 2x23 s ILE 194 N 0.01 0.78 -1.15 0.56 -1.09 -1.26 -4.30 121.20 114.75 2x23 s ILE 194 Ca 0.59 -0.40 -0.22 0.00 -2.23 0.00 0.00 60.65 58.39 2x23 s ILE 194 Cb -0.41 -0.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.80 2x23 s ILE 194 CO 0.42 0.23 1.79 -0.13 -1.23 0.00 0.00 174.94 176.02 2x23 s ARG 195 N -0.11 3.19 0.50 2.79 0.52 -0.36 -4.68 118.95 120.80 2x23 s ARG 195 Ca 0.02 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.00 2x23 s ARG 195 Cb -0.05 -5.33 0.01 0.00 0.52 0.00 0.00 34.95 30.10 2x23 s ARG 195 CO -0.00 -3.01 0.35 0.95 0.02 0.00 0.00 175.30 173.61 2x23 s THR 196 N 7.59 1.89 0.19 0.02 -4.23 -1.26 -4.90 115.64 114.94 2x23 s THR 196 Ca 0.60 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 2x23 s THR 196 Cb -0.00 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.54 2x23 s THR 196 CO 0.05 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.22 2x23 h LEU 197 N 0.92 0.64 -0.85 4.79 5.85 -1.91 -1.69 115.31 123.06 2x23 h LEU 197 Ca -0.39 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2x23 h LEU 197 Cb 1.29 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2x23 h LEU 197 CO 0.60 0.45 0.51 0.00 -0.34 0.00 0.00 178.44 179.65 2x23 h ALA 198 N 1.26 1.08 -0.02 1.25 0.00 -1.96 0.99 119.26 121.85 2x23 h ALA 198 Ca 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2x23 h ALA 198 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2x23 h ALA 198 CO -0.09 0.54 -0.11 1.98 0.00 0.00 0.00 179.25 181.57 2x23 h MET 199 N 1.16 -0.17 0.11 0.00 1.85 -1.72 -1.05 114.93 115.11 2x23 h MET 199 Ca 0.30 0.01 -0.28 0.00 -0.61 0.00 0.00 59.70 59.13 2x23 h MET 199 Cb -0.04 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2x23 h MET 199 CO -0.06 -0.11 -1.31 0.66 -0.40 0.00 0.00 176.91 175.69 2x23 h SER 200 N -0.18 0.36 0.12 1.39 4.64 -1.11 0.35 113.55 119.13 2x23 h SER 200 Ca 0.05 -0.42 -0.36 0.00 -0.47 0.00 0.00 61.79 60.58 2x23 h SER 200 Cb 0.24 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2x23 h SER 200 CO -0.13 1.34 -2.00 0.00 -0.87 0.00 0.00 176.83 175.17 2x23 n ALA 201 N -2.55 0.89 -0.07 5.18 0.00 0.32 -2.11 120.51 122.17 2x23 n ALA 201 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.70 2x23 n ALA 201 Cb 1.02 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 2x23 n ALA 201 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2x23 h ILE 202 N 0.06 0.03 0.37 0.00 2.04 -1.36 -3.13 117.51 115.51 2x23 h ILE 202 Ca -0.43 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 2x23 h ILE 202 Cb 2.02 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2x23 h ILE 202 CO 0.08 0.01 -0.18 0.58 0.00 0.00 0.00 178.15 178.64 2x23 h VAL 203 N -1.00 0.40 -0.79 1.67 2.07 -1.18 -2.64 116.25 114.78 2x23 h VAL 203 Ca -0.01 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.93 2x23 h VAL 203 Cb 0.48 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2x23 h VAL 203 CO -0.01 0.09 0.43 1.23 0.02 0.00 0.00 177.57 179.33 2x23 h GLY 204 N -0.99 1.22 1.97 2.17 0.00 -0.31 -1.75 103.07 105.38 2x23 h GLY 204 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2x23 h GLY 204 CO 0.08 0.09 0.01 -1.33 0.00 0.00 0.00 176.54 175.40 2x23 h GLY 205 N 0.71 0.01 0.90 4.60 0.00 -1.37 -2.67 103.07 105.27 2x23 h GLY 205 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2x23 h GLY 205 CO -0.26 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.68 2x23 n ALA 206 N -2.54 3.57 1.11 3.60 0.00 -0.69 -4.03 120.51 121.53 2x23 n ALA 206 Ca -0.03 -0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.19 2x23 n ALA 206 Cb 0.10 -1.09 0.56 0.00 0.00 0.00 0.00 19.45 19.02 2x23 n ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x23 n LEU 207 N -1.60 0.18 0.00 0.00 7.99 -1.00 -1.22 117.00 121.34 2x23 n LEU 207 Ca 0.05 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2x23 n LEU 207 Cb 0.35 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2x23 n LEU 207 CO 0.36 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2x23 n GLY 208 N 1.44 2.98 0.15 -0.72 0.00 -1.25 -4.43 105.19 103.36 2x23 n GLY 208 Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 2x23 n GLY 208 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x23 h GLU 209 N 0.00 -0.27 -0.84 1.61 5.08 -1.95 -3.22 114.58 114.99 2x23 h GLU 209 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x23 h GLU 209 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2x23 h GLU 209 CO 0.00 -0.01 0.00 0.39 -1.00 0.00 0.00 179.01 178.39 2x23 n GLU 210 N -4.95 1.75 -0.31 2.33 -0.58 -1.26 -4.41 120.64 113.20 2x23 n GLU 210 Ca -0.06 -0.63 0.14 0.00 -0.42 0.00 0.00 57.16 56.20 2x23 n GLU 210 Cb 0.19 -1.60 0.32 0.00 -0.57 0.00 0.00 31.44 29.78 2x23 n GLU 210 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2x23 h ALA 211 N 2.49 1.43 0.22 0.62 0.00 -1.77 0.35 119.26 122.61 2x23 h ALA 211 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2x23 h ALA 211 Cb 0.74 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2x23 h ALA 211 CO 0.09 -0.43 -0.11 0.78 0.00 0.00 0.00 179.25 179.58 2x23 h GLY 212 N 0.30 -0.32 1.35 0.00 0.00 -1.87 -1.39 103.07 101.14 2x23 h GLY 212 Ca 0.58 0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.89 2x23 h GLY 212 CO -0.60 -0.11 -0.32 0.00 0.00 0.00 0.00 176.54 175.51 2x23 h ALA 213 N 0.31 0.80 0.00 3.60 0.00 -1.77 -2.84 119.26 119.35 2x23 h ALA 213 Ca -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2x23 h ALA 213 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2x23 h ALA 213 CO 0.05 0.65 -0.21 1.96 0.00 0.00 0.00 179.25 181.69 2x23 h GLN 214 N 0.62 0.00 0.01 0.00 1.08 -0.28 0.15 115.11 116.69 2x23 h GLN 214 Ca 0.07 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.07 2x23 h GLN 214 Cb 0.85 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2x23 h GLN 214 CO 0.07 0.21 -0.90 0.82 -0.95 0.00 0.00 178.83 178.09 2x23 h ILE 215 N 0.00 1.51 -0.48 2.54 2.04 -1.26 -2.59 117.51 119.28 2x23 h ILE 215 Ca -0.00 -2.70 -0.10 0.00 1.00 0.00 0.00 64.86 63.07 2x23 h ILE 215 Cb 0.87 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 2x23 h ILE 215 CO 0.03 0.78 -0.09 -0.61 0.00 0.00 0.00 178.15 178.27 2x23 h GLN 216 N 0.09 0.86 -0.26 2.37 5.75 -1.13 -0.47 115.11 122.33 2x23 h GLN 216 Ca -0.04 -0.28 0.04 0.00 -0.15 0.00 0.00 58.65 58.21 2x23 h GLN 216 Cb 1.54 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.98 2x23 h GLN 216 CO 0.14 0.91 0.04 1.25 -2.65 0.00 0.00 178.83 178.52 2x23 h LEU 217 N 0.78 -0.02 -0.36 -2.39 5.85 -1.01 -0.33 115.31 117.83 2x23 h LEU 217 Ca 0.13 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2x23 h LEU 217 Cb 0.59 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2x23 h LEU 217 CO 0.04 0.03 0.15 0.25 -0.34 0.00 0.00 178.44 178.56 2x23 h LEU 218 N 0.13 0.19 0.03 2.25 5.85 -1.01 0.95 115.31 123.71 2x23 h LEU 218 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2x23 h LEU 218 Cb 0.13 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2x23 h LEU 218 CO -0.17 0.15 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.96 2x23 h GLU 219 N 0.32 -0.08 -0.18 1.25 4.81 -0.92 0.22 114.58 120.00 2x23 h GLU 219 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2x23 h GLU 219 Cb 0.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2x23 h GLU 219 CO -0.14 -0.05 0.12 0.93 -0.73 0.00 0.00 179.01 179.14 2x23 h GLU 220 N -0.08 0.24 -0.66 1.92 5.08 -0.73 -0.84 114.58 119.50 2x23 h GLU 220 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2x23 h GLU 220 Cb 0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2x23 h GLU 220 CO -0.02 0.17 0.21 0.78 -1.00 0.00 0.00 179.01 179.16 2x23 h GLY 221 N 0.23 1.08 0.80 -3.84 0.00 -0.75 -0.64 103.07 99.94 2x23 h GLY 221 Ca 0.07 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2x23 h GLY 221 CO -0.01 0.57 -0.12 -0.25 0.00 0.00 0.00 176.54 176.73 2x23 h TRP 222 N 0.97 0.49 -0.07 5.60 2.91 -0.71 -1.90 115.95 123.24 2x23 h TRP 222 Ca 0.22 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2x23 h TRP 222 Cb 0.26 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.80 2x23 h TRP 222 CO 0.02 0.74 -0.19 0.22 -1.03 0.00 0.00 178.44 178.20 2x23 h ASP 223 N 0.10 0.10 -0.27 2.65 3.58 -0.96 -1.26 116.42 120.37 2x23 h ASP 223 Ca 0.04 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 2x23 h ASP 223 Cb 0.62 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2x23 h ASP 223 CO 0.03 0.30 -0.30 1.56 -2.88 0.00 0.00 179.24 177.95 2x23 h GLN 224 N 0.10 0.67 -0.18 0.28 4.20 -0.95 -3.31 115.11 115.92 2x23 h GLN 224 Ca 0.02 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.19 2x23 h GLN 224 Cb 0.40 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2x23 h GLN 224 CO 0.03 0.98 -0.58 -0.09 -0.67 0.00 0.00 178.83 178.50 2x23 h ARG 225 N 0.40 0.58 -6.24 1.46 2.43 -1.12 -3.43 114.38 108.46 2x23 h ARG 225 Ca 0.04 -0.38 -0.56 0.00 -0.81 0.00 0.00 59.98 58.26 2x23 h ARG 225 Cb 0.88 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2x23 h ARG 225 CO 0.07 1.00 1.22 0.00 -1.51 0.00 0.00 179.97 180.75 2x23 s ALA 226 N -3.95 3.24 0.52 2.80 0.00 -0.50 -4.51 121.76 119.36 2x23 s ALA 226 Ca -0.08 0.71 0.22 0.00 0.00 0.00 0.00 51.96 52.82 2x23 s ALA 226 Cb 0.11 -3.89 1.34 0.00 0.00 0.00 0.00 23.12 20.68 2x23 s ALA 226 CO 0.85 -2.02 2.04 -1.35 0.00 0.00 0.00 175.76 175.28 2x23 h PRO 227 N 11.48 0.02 -0.46 0.00 0.11 -1.77 -1.04 132.00 140.35 2x23 h PRO 227 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2x23 h PRO 227 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x23 h PRO 227 CO 0.98 0.01 0.00 0.44 -0.21 0.00 0.00 178.00 179.22 2x23 n ILE 228 N -4.43 1.76 -0.20 4.15 -5.35 -1.23 -5.08 119.36 108.98 2x23 n ILE 228 Ca 0.06 -1.34 0.03 0.00 -0.27 0.00 0.00 62.75 61.23 2x23 n ILE 228 Cb 0.45 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.45 2x23 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x23 n GLY 229 N 0.51 -1.77 3.33 3.28 0.00 -0.39 -5.02 105.19 105.13 2x23 n GLY 229 Ca 0.21 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 2x23 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2x23 s TRP 230 N -1.77 -0.59 -0.29 1.61 -0.11 -1.26 -4.55 118.94 111.97 2x23 s TRP 230 Ca 0.00 1.32 0.02 0.00 1.22 0.00 0.00 56.10 58.66 2x23 s TRP 230 Cb 0.00 0.25 0.07 0.00 -1.50 0.00 0.00 33.47 32.29 2x23 s TRP 230 CO 0.00 -0.31 -0.04 1.21 -4.62 0.00 0.00 176.95 173.19 2x23 s ASN 231 N 0.94 4.65 0.48 5.86 3.84 -1.26 -4.58 114.94 124.87 2x23 s ASN 231 Ca -0.06 -1.57 0.32 0.00 0.21 0.00 0.00 52.86 51.77 2x23 s ASN 231 Cb -0.06 -1.62 1.57 0.00 -0.55 0.00 0.00 41.25 40.59 2x23 s ASN 231 CO -0.08 -0.26 1.98 0.24 -2.79 0.00 0.00 177.10 176.18 2x23 h MET 232 N 7.80 0.00 -0.03 0.43 2.86 -1.94 -2.52 114.93 121.52 2x23 h MET 232 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2x23 h MET 232 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2x23 h MET 232 CO 0.50 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.10 2x23 n LYS 233 N -2.73 1.47 -3.85 1.72 5.02 -1.26 -1.22 118.16 117.31 2x23 n LYS 233 Ca -0.01 -0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 55.30 2x23 n LYS 233 Cb 0.16 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 2x23 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x23 s ASP 234 N -1.91 4.31 0.00 4.39 2.15 -0.95 -4.95 116.67 119.71 2x23 s ASP 234 Ca 0.39 -1.92 0.29 0.00 0.43 0.00 0.00 52.55 51.74 2x23 s ASP 234 Cb 0.20 -1.19 1.32 0.00 -0.30 0.00 0.00 42.92 42.95 2x23 s ASP 234 CO 0.33 -0.39 1.96 0.00 -0.17 0.00 0.00 175.17 176.89 2x23 n ALA 235 N 4.51 2.45 -0.18 3.66 0.00 -1.26 -4.33 120.51 125.35 2x23 n ALA 235 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 2x23 n ALA 235 Cb 0.41 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.45 2x23 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2x23 h THR 236 N 0.02 1.04 -0.57 0.00 2.02 -1.95 -1.24 112.91 112.24 2x23 h THR 236 Ca 0.00 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.06 2x23 h THR 236 Cb 0.41 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2x23 h THR 236 CO 0.00 0.11 0.38 -0.65 0.37 0.00 0.00 175.52 175.74 2x23 h PRO 237 N 0.62 0.39 -0.01 6.66 0.11 -1.99 0.23 132.00 138.01 2x23 h PRO 237 Ca 0.22 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 2x23 h PRO 237 Cb 0.04 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.08 2x23 h PRO 237 CO -0.10 0.26 -0.85 0.28 -0.21 0.00 0.00 178.00 177.38 2x23 h VAL 238 N 0.41 1.34 -0.67 3.15 2.07 -1.63 -2.50 116.25 118.41 2x23 h VAL 238 Ca 0.26 -2.16 -0.06 0.00 0.82 0.00 0.00 66.70 65.56 2x23 h VAL 238 Cb 0.49 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2x23 h VAL 238 CO -0.07 0.65 0.18 0.00 0.02 0.00 0.00 177.57 178.36 2x23 h ALA 239 N 0.38 1.05 -0.49 1.67 0.00 -0.34 -1.50 119.26 120.03 2x23 h ALA 239 Ca -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x23 h ALA 239 Cb 1.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2x23 h ALA 239 CO 0.17 0.63 0.27 0.87 0.00 0.00 0.00 179.25 181.19 2x23 h LYS 240 N 1.01 0.68 -0.68 0.00 1.57 -0.57 -1.55 116.57 117.04 2x23 h LYS 240 Ca 0.22 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2x23 h LYS 240 Cb 0.32 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2x23 h LYS 240 CO -0.00 0.53 0.42 1.15 -0.57 0.00 0.00 179.45 180.98 2x23 h THR 241 N 0.65 1.09 -0.75 -0.16 2.02 -0.96 0.13 112.91 114.93 2x23 h THR 241 Ca 0.17 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2x23 h THR 241 Cb 0.05 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 2x23 h THR 241 CO -0.03 0.15 0.30 0.58 0.37 0.00 0.00 175.52 176.90 2x23 h VAL 242 N 0.82 1.25 -0.29 3.16 2.07 -1.04 -2.44 116.25 119.78 2x23 h VAL 242 Ca 0.27 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2x23 h VAL 242 Cb 0.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2x23 h VAL 242 CO -0.11 0.32 -0.07 0.00 0.02 0.00 0.00 177.57 177.73 2x23 h ALA 244 N 1.48 0.87 -0.12 0.00 0.00 -0.56 -0.81 119.26 120.13 2x23 h ALA 244 Ca 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2x23 h ALA 244 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2x23 h ALA 244 CO 0.02 0.03 -0.48 -0.07 0.00 0.00 0.00 179.25 178.76 2x23 h LEU 245 N 0.67 0.32 -0.67 0.00 3.38 -0.94 -2.55 115.31 115.51 2x23 h LEU 245 Ca 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x23 h LEU 245 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2x23 h LEU 245 CO -0.18 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.03 2x23 h LEU 246 N 0.24 0.00-10.84 1.67 3.38 -0.89 -3.46 115.31 105.41 2x23 h LEU 246 Ca 0.01 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.54 2x23 h LEU 246 Cb 0.93 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.84 2x23 h LEU 246 CO 0.08 0.00 0.39 -0.94 0.09 0.00 0.00 178.44 178.06 2x23 s SER 247 N -5.13 3.09 0.00 -0.43 1.04 -0.34 -4.81 113.70 107.12 2x23 s SER 247 Ca 0.05 0.12 0.22 0.00 0.48 0.00 0.00 55.95 56.82 2x23 s SER 247 Cb 0.09 -0.14 1.19 0.00 0.10 0.00 0.00 66.02 67.26 2x23 s SER 247 CO 0.53 -2.74 1.78 0.47 0.98 0.00 0.00 173.24 174.27 2x23 n ASP 248 N -3.71 0.42 -0.66 7.02 8.00 -1.26 -4.19 116.55 122.17 2x23 n ASP 248 Ca 0.16 -1.40 0.13 0.00 0.71 0.00 0.00 54.79 54.39 2x23 n ASP 248 Cb 0.59 -0.02 0.37 0.00 -0.02 0.00 0.00 41.12 42.04 2x23 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2x23 n TRP 249 N -0.55 0.01 -2.90 1.24 7.02 -1.26 -3.87 117.44 117.12 2x23 n TRP 249 Ca 0.17 -0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.42 2x23 n TRP 249 Cb 0.14 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.01 2x23 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2x23 n LEU 250 N 0.61 3.06 0.00 -0.99 4.77 -1.26 -4.93 117.00 118.26 2x23 n LEU 250 Ca 0.17 -5.16 0.13 0.00 -0.03 0.00 0.00 56.01 51.13 2x23 n LEU 250 Cb 0.45 -0.04 0.72 0.00 -2.33 0.00 0.00 43.42 42.22 2x23 n LEU 250 CO 0.16 2.22 0.97 -0.81 -1.33 0.00 0.00 177.39 178.60 2x23 n PRO 251 N -0.11 0.51 -0.05 3.23 -0.04 -1.25 -3.49 135.00 133.80 2x23 n PRO 251 Ca 0.28 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2x23 n PRO 251 Cb 0.57 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2x23 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x23 n ALA 252 N -1.21 2.17 -3.90 0.55 0.00 -1.26 -4.97 120.51 111.90 2x23 n ALA 252 Ca 0.15 -2.11 -0.34 0.00 0.00 0.00 0.00 53.44 51.15 2x23 n ALA 252 Cb 0.18 -0.26 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 2x23 n ALA 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2x23 s THR 253 N -2.27 2.54 0.08 0.00 2.01 -1.23 -5.10 115.64 111.67 2x23 s THR 253 Ca 0.22 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 2x23 s THR 253 Cb 0.19 -2.11 0.05 0.00 0.01 0.00 0.00 72.50 70.64 2x23 s THR 253 CO 0.02 0.49 0.51 0.28 -0.69 0.00 0.00 174.62 175.23 2x23 s THR 254 N 1.36 0.03 -1.59 -0.82 -1.32 -1.26 -4.64 115.64 107.40 2x23 s THR 254 Ca 0.05 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2x23 s THR 254 Cb -0.14 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2x23 s THR 254 CO -0.09 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2x23 n GLY 255 N 0.15 0.83 2.71 6.08 0.00 0.96 -4.95 105.19 110.97 2x23 n GLY 255 Ca -0.18 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 2x23 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x23 n ASP 256 N -0.82 2.19 -3.75 1.61 -0.08 -1.23 -4.51 116.55 109.96 2x23 n ASP 256 Ca -0.18 -2.70 -0.17 0.00 -1.51 0.00 0.00 54.79 50.23 2x23 n ASP 256 Cb 0.58 0.52 -0.17 0.00 2.34 0.00 0.00 41.12 44.39 2x23 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2x23 s ILE 257 N -2.56 -0.00 -0.16 5.18 1.01 -1.26 -0.86 121.20 122.54 2x23 s ILE 257 Ca 0.07 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 2x23 s ILE 257 Cb 0.00 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 2x23 s ILE 257 CO 0.05 0.13 -0.00 -0.63 0.00 0.00 0.00 174.94 174.49 2x23 s ILE 258 N 1.39 4.19 -0.41 2.92 -1.09 -0.04 -4.97 121.20 123.19 2x23 s ILE 258 Ca -0.05 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 2x23 s ILE 258 Cb -0.13 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.91 2x23 s ILE 258 CO -0.03 0.48 0.47 -0.31 -1.23 0.00 0.00 174.94 174.33 2x23 s TYR 259 N 0.37 3.16 -0.92 3.97 1.51 -1.26 -0.83 117.35 123.35 2x23 s TYR 259 Ca -0.02 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2x23 s TYR 259 Cb -0.14 -2.96 0.29 0.00 -0.11 0.00 0.00 41.96 39.05 2x23 s TYR 259 CO 0.02 -0.69 1.21 0.00 -1.11 0.00 0.00 175.55 174.98 2x23 n ALA 260 N 5.71 4.78 -1.48 3.71 0.00 0.02 -4.70 120.51 128.56 2x23 n ALA 260 Ca -0.06 -4.80 0.02 0.00 0.00 0.00 0.00 53.44 48.60 2x23 n ALA 260 Cb 0.48 -1.81 0.03 0.00 0.00 0.00 0.00 19.45 18.15 2x23 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x23 n ASP 261 N 1.13 0.72 0.00 0.00 5.75 -1.26 -2.06 116.55 120.83 2x23 n ASP 261 Ca 0.28 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2x23 n ASP 261 Cb 0.36 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2x23 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x23 n GLY 262 N -0.39 0.36 1.36 6.12 0.00 -1.26 -2.39 105.19 108.99 2x23 n GLY 262 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2x23 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x23 n GLY 263 N -1.48 0.64 0.36 -0.02 0.00 -1.26 -2.74 105.19 100.69 2x23 n GLY 263 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.91 2x23 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x23 h ALA 264 N 0.00 1.52 0.00 4.61 0.00 -1.70 -1.95 119.26 121.73 2x23 h ALA 264 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x23 h ALA 264 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2x23 h ALA 264 CO 0.00 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.26 2x23 n HIS 265 N -4.45 0.00 1.19 0.00 1.44 -1.26 -2.34 115.22 109.79 2x23 n HIS 265 Ca 0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 2x23 n HIS 265 Cb 0.13 -0.46 0.26 0.00 0.12 0.00 0.00 29.99 30.04 2x23 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2x23 n THR 266 N -1.46 0.00 -4.95 0.61 -2.24 -0.73 -4.90 114.28 100.60 2x23 n THR 266 Ca 0.04 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 2x23 n THR 266 Cb 0.16 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 2x23 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2x23 s GLN 267 N -2.37 1.86 -0.09 -0.78 -1.52 -0.99 -5.04 119.66 110.73 2x23 s GLN 267 Ca 0.25 -0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 52.80 2x23 s GLN 267 Cb 0.19 -1.66 -0.28 0.00 -0.22 0.00 0.00 33.01 31.04 2x23 s GLN 267 CO 0.49 0.33 0.62 1.25 -0.25 0.00 0.00 175.29 177.72 2x23 h LEU 268 N 6.03 0.40 0.00 2.90 5.85 -1.91 -3.49 115.31 125.10 2x23 h LEU 268 Ca -0.34 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.51 2x23 h LEU 268 Cb 1.16 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2x23 h LEU 268 CO 0.48 1.58 0.00 -0.11 -0.34 0.00 0.00 178.44 180.05