#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twu s ARG 4 N 0.00 2.58 0.62 -1.58 3.52 -1.26 -3.11 118.95 119.72 1twu s ARG 4 Ca 0.00 -1.47 -0.08 0.00 -0.13 0.00 0.00 55.73 54.04 1twu s ARG 4 Cb 0.00 -3.77 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1twu s ARG 4 CO 0.00 -0.96 0.97 -0.06 -0.81 0.00 0.00 175.30 174.44 1twu s PHE 5 N 1.41 3.38 0.17 5.12 0.40 -0.63 -5.00 117.98 122.83 1twu s PHE 5 Ca 0.03 0.91 -0.11 0.00 -0.60 0.00 0.00 56.93 57.16 1twu s PHE 5 Cb -0.23 -2.78 0.05 0.00 0.51 0.00 0.00 43.02 40.57 1twu s PHE 5 CO 0.02 -0.84 1.64 0.77 0.70 0.00 0.00 175.22 177.51 1twu h SER 6 N -0.30 0.92 0.79 1.36 0.02 -2.04 -3.19 113.55 111.11 1twu h SER 6 Ca -0.45 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1twu h SER 6 Cb 1.24 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1twu h SER 6 CO 0.62 0.97 -0.66 -1.20 -1.14 0.00 0.00 176.83 175.42 1twu n SER 7 N -4.31 0.67 -3.64 3.07 7.64 -1.26 -5.01 113.62 110.78 1twu n SER 7 Ca 0.02 0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.95 1twu n SER 7 Cb 0.29 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1twu n SER 7 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1twu s PHE 8 N -3.16 -0.09 -0.34 1.43 -0.12 -1.21 -5.12 117.98 109.37 1twu s PHE 8 Ca 0.06 -0.06 -0.13 0.00 -0.05 0.00 0.00 56.93 56.76 1twu s PHE 8 Cb 0.14 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 43.08 1twu s PHE 8 CO 0.73 -0.42 0.24 -1.14 -0.05 0.00 0.00 175.22 174.58 1twu s GLN 9 N -2.68 3.51 -0.20 1.99 2.00 -1.26 -1.61 119.66 121.41 1twu s GLN 9 Ca 0.13 -0.63 -0.14 0.00 -2.00 0.00 0.00 55.36 52.71 1twu s GLN 9 Cb 0.02 -3.80 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 1twu s GLN 9 CO -0.03 -0.44 0.33 0.00 -0.50 0.00 0.00 175.29 174.65 1twu s ALA 10 N 1.73 3.57 0.06 1.58 0.00 -1.18 -4.96 121.76 122.57 1twu s ALA 10 Ca 0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1twu s ALA 10 Cb -0.17 -2.51 -0.30 0.00 0.00 0.00 0.00 23.12 20.13 1twu s ALA 10 CO 0.11 -0.18 1.10 0.00 0.00 0.00 0.00 175.76 176.79 1twu h ALA 11 N 7.22 0.02 -2.86 0.00 0.00 -1.97 -3.45 119.26 118.23 1twu h ALA 11 Ca -0.38 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 53.64 1twu h ALA 11 Cb 1.16 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1twu h ALA 11 CO 0.72 0.87 -0.01 -1.14 0.00 0.00 0.00 179.25 179.69 1twu s GLN 12 N -2.67 1.44 -0.02 0.00 0.74 -1.26 -4.83 119.66 113.06 1twu s GLN 12 Ca -0.06 -0.98 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1twu s GLN 12 Cb 0.06 0.51 0.02 0.00 1.10 0.00 0.00 33.01 34.70 1twu s GLN 12 CO 0.91 -0.61 0.00 0.42 -0.55 0.00 0.00 175.29 175.46 1twu s ILE 13 N -3.91 0.11 -0.03 -2.34 1.01 0.96 -5.02 121.20 111.98 1twu s ILE 13 Ca 0.13 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1twu s ILE 13 Cb -0.01 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 1twu s ILE 13 CO 0.01 0.10 -0.14 -0.60 0.00 0.00 0.00 174.94 174.31 1twu s ARG 14 N 0.75 1.42 -0.32 2.79 3.52 -1.26 -1.89 118.95 123.96 1twu s ARG 14 Ca -0.07 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1twu s ARG 14 Cb -0.10 -1.27 0.02 0.00 -1.56 0.00 0.00 34.95 32.03 1twu s ARG 14 CO -0.02 0.21 0.12 0.42 -0.81 0.00 0.00 175.30 175.22 1twu s ILE 15 N 0.04 4.11 -0.15 4.11 -1.09 -0.80 -5.01 121.20 122.41 1twu s ILE 15 Ca -0.02 -0.80 -0.03 0.00 -2.23 0.00 0.00 60.65 57.58 1twu s ILE 15 Cb -0.10 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1twu s ILE 15 CO 0.01 -0.04 -0.07 0.00 -1.23 0.00 0.00 174.94 173.61 1twu s ALA 16 N 1.50 2.88 0.02 9.38 0.00 -1.26 -0.90 121.76 133.38 1twu s ALA 16 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1twu s ALA 16 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1twu s ALA 16 CO 0.04 0.21 -0.12 1.03 0.00 0.00 0.00 175.76 176.91 1twu s ARG 17 N 0.39 0.86 0.46 0.00 0.52 -0.40 -4.98 118.95 115.81 1twu s ARG 17 Ca -0.06 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.45 1twu s ARG 17 Cb -0.15 -0.83 -0.06 0.00 0.52 0.00 0.00 34.95 34.43 1twu s ARG 17 CO 0.04 0.21 0.83 -1.25 0.02 0.00 0.00 175.30 175.15 1twu s PRO 18 N -0.82 3.72 0.07 3.54 0.04 -1.26 -2.02 135.00 138.27 1twu s PRO 18 Ca 0.02 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 1twu s PRO 18 Cb -0.06 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1twu s PRO 18 CO 0.01 -0.17 0.39 -0.08 0.04 0.00 0.00 177.00 177.19 1twu s THR 19 N -2.59 0.07 -1.40 1.26 -1.32 0.85 -4.10 115.64 108.40 1twu s THR 19 Ca 0.52 -0.54 0.12 0.00 -1.21 0.00 0.00 61.69 60.58 1twu s THR 19 Cb -0.10 -1.03 0.13 0.00 -1.51 0.00 0.00 72.50 69.98 1twu s THR 19 CO 0.37 -0.30 0.93 0.61 -2.21 0.00 0.00 174.62 174.03 1twu n GLY 20 N 0.26 0.16 2.33 6.08 0.00 -1.23 -4.18 105.19 108.61 1twu n GLY 20 Ca -0.18 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1twu n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twu n GLN 21 N 0.65 0.59 0.27 1.61 10.64 -1.26 -4.92 117.38 124.96 1twu n GLN 21 Ca 0.08 -2.98 0.11 0.00 -1.83 0.00 0.00 57.00 52.38 1twu n GLN 21 Cb 0.31 -1.36 0.73 0.00 -0.86 0.00 0.00 30.24 29.07 1twu n GLN 21 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1twu h LEU 22 N 4.42 0.00 -0.27 2.61 5.85 -1.94 -2.20 115.31 123.77 1twu h LEU 22 Ca 0.09 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 1twu h LEU 22 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1twu h LEU 22 CO 0.40 0.08 -0.69 0.44 -0.34 0.00 0.00 178.44 178.34 1twu h ASP 23 N 0.00 0.84 -0.64 1.25 3.32 -1.99 -1.48 116.42 117.72 1twu h ASP 23 Ca -0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 1twu h ASP 23 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1twu h ASP 23 CO 0.01 1.30 0.07 -0.33 -1.72 0.00 0.00 179.24 178.57 1twu h GLU 24 N 0.52 1.08 -0.64 3.56 4.39 -1.85 -1.79 114.58 119.84 1twu h GLU 24 Ca -0.03 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1twu h GLU 24 Cb 1.30 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1twu h GLU 24 CO 0.14 1.02 0.36 0.82 -1.16 0.00 0.00 179.01 180.19 1twu h ILE 25 N 0.99 1.20 -0.68 3.13 1.08 -1.35 -2.10 117.51 119.79 1twu h ILE 25 Ca 0.19 -0.50 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1twu h ILE 25 Cb 0.48 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1twu h ILE 25 CO 0.02 0.22 0.24 0.40 -0.69 0.00 0.00 178.15 178.34 1twu h ILE 26 N 0.88 1.25 -0.64 -0.67 2.04 -0.96 -1.03 117.51 118.38 1twu h ILE 26 Ca 0.23 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1twu h ILE 26 Cb 0.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1twu h ILE 26 CO -0.04 0.32 0.36 -0.09 0.00 0.00 0.00 178.15 178.70 1twu h ARG 27 N 0.98 0.89 0.19 2.37 2.43 -1.04 0.28 114.38 120.47 1twu h ARG 27 Ca 0.22 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1twu h ARG 27 Cb 0.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1twu h ARG 27 CO -0.01 0.67 -0.09 0.35 -1.51 0.00 0.00 179.97 179.37 1twu h PHE 28 N 0.87 -0.23 0.01 2.20 3.57 -1.14 0.17 116.94 122.40 1twu h PHE 28 Ca 0.23 -0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.45 1twu h PHE 28 Cb 0.03 0.08 0.02 0.00 2.79 0.00 0.00 35.95 38.87 1twu h PHE 28 CO -0.01 0.11 -1.06 1.88 -2.23 0.00 0.00 178.31 176.99 1twu h TYR 29 N -0.59 1.01 0.01 0.41 0.05 -1.17 0.79 116.97 117.47 1twu h TYR 29 Ca -0.03 -0.56 -0.21 0.00 0.05 0.00 0.00 58.73 57.98 1twu h TYR 29 Cb 0.44 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.04 1twu h TYR 29 CO 0.03 1.40 -1.16 1.49 -1.05 0.00 0.00 178.16 178.87 1twu h GLU 30 N 0.37 0.01 0.12 4.88 4.81 -0.58 -1.10 114.58 123.09 1twu h GLU 30 Ca -0.13 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.80 1twu h GLU 30 Cb 1.72 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.12 1twu h GLU 30 CO 0.21 1.01 -1.21 0.93 -0.73 0.00 0.00 179.01 179.22 1twu h GLU 31 N -0.96 0.41 0.02 1.92 5.08 -1.27 -2.45 114.58 117.33 1twu h GLU 31 Ca -0.32 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 57.45 1twu h GLU 31 Cb 1.30 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1twu h GLU 31 CO -0.18 1.25 -0.01 0.78 -1.00 0.00 0.00 179.01 179.86 1twu h GLY 32 N 1.07 -0.03 2.00 -3.84 0.00 0.58 -3.38 103.07 99.47 1twu h GLY 32 Ca -0.15 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1twu h GLY 32 CO 0.21 -0.01 -0.12 1.41 0.00 0.00 0.00 176.54 178.04 1twu h LEU 33 N -0.34 0.00 -1.18 3.11 3.38 -0.87 -3.46 115.31 115.95 1twu h LEU 33 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1twu h LEU 33 Cb 0.02 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.88 1twu h LEU 33 CO 0.00 0.12 -0.51 0.00 0.09 0.00 0.00 178.44 178.14 1twu s LEU 35 N -5.41 4.35 0.09 0.00 1.43 -0.48 -5.00 118.68 113.66 1twu s LEU 35 Ca 0.28 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1twu s LEU 35 Cb -0.12 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 1twu s LEU 35 CO 0.53 -0.01 1.03 -0.75 0.23 0.00 0.00 176.35 177.37 1twu s LYS 36 N -2.00 4.60 -0.43 1.70 2.20 -1.26 -4.52 119.74 120.03 1twu s LYS 36 Ca 0.46 1.54 -0.29 0.00 -0.36 0.00 0.00 55.97 57.32 1twu s LYS 36 Cb -0.18 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1twu s LYS 36 CO 0.22 0.05 1.27 0.50 -0.36 0.00 0.00 175.35 177.04 1twu s ARG 37 N 0.34 3.68 0.00 4.03 3.52 -1.26 -0.47 118.95 128.79 1twu s ARG 37 Ca 0.50 0.78 0.21 0.00 -0.13 0.00 0.00 55.73 57.09 1twu s ARG 37 Cb -0.25 -3.95 0.37 0.00 -1.56 0.00 0.00 34.95 29.56 1twu s ARG 37 CO 0.30 -1.44 1.33 0.44 -0.81 0.00 0.00 175.30 175.12 1twu n ILE 38 N 6.89 0.51 0.00 4.11 -5.35 -0.21 -4.96 119.36 120.35 1twu n ILE 38 Ca 0.14 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1twu n ILE 38 Cb 0.48 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1twu n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1twu n GLY 39 N 1.30 0.80 3.55 3.28 0.00 -1.21 -4.95 105.19 107.97 1twu n GLY 39 Ca 0.17 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1twu n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1twu s GLU 40 N -2.00 0.66 -0.23 1.61 -1.05 -1.26 -0.57 118.70 115.86 1twu s GLU 40 Ca 0.00 -0.26 -0.20 0.00 -0.15 0.00 0.00 54.97 54.36 1twu s GLU 40 Cb 0.00 0.29 0.06 0.00 -0.44 0.00 0.00 34.13 34.04 1twu s GLU 40 CO 0.00 -0.29 0.60 -0.59 0.95 0.00 0.00 175.26 175.93 1twu s PHE 41 N -2.87 -0.68 -0.07 4.83 -0.12 -0.62 -4.97 117.98 113.48 1twu s PHE 41 Ca 0.07 1.63 0.03 0.00 -0.05 0.00 0.00 56.93 58.62 1twu s PHE 41 Cb -0.01 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 1twu s PHE 41 CO -0.07 -0.33 -0.16 0.45 -0.05 0.00 0.00 175.22 175.06 1twu s SER 42 N 0.42 3.86 -0.96 1.98 0.15 -1.26 -1.37 113.70 116.51 1twu s SER 42 Ca -0.01 -0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 1twu s SER 42 Cb -0.04 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1twu s SER 42 CO -0.01 0.29 0.68 0.00 1.20 0.00 0.00 173.24 175.40 1twu n GLN 43 N 2.69 -1.18 -4.02 5.44 6.02 -0.90 -4.97 117.38 120.46 1twu n GLN 43 Ca -0.17 0.67 -0.32 0.00 -0.01 0.00 0.00 57.00 57.16 1twu n GLN 43 Cb 0.52 -3.32 -0.15 0.00 1.02 0.00 0.00 30.24 28.31 1twu n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1twu s HIS 44 N -3.21 3.42 -1.51 1.08 2.46 0.40 -4.61 115.29 113.33 1twu s HIS 44 Ca 0.21 -2.46 -0.02 0.00 0.47 0.00 0.00 55.06 53.26 1twu s HIS 44 Cb -0.09 -2.30 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 1twu s HIS 44 CO 0.88 -0.89 0.32 0.09 -2.47 0.00 0.00 174.74 172.66 1twu n ASN 45 N 4.41 -5.62 0.00 9.88 3.02 -1.26 -1.65 115.26 124.04 1twu n ASN 45 Ca -0.08 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1twu n ASN 45 Cb 0.42 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 1twu n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1twu n GLY 46 N -1.27 0.75 3.63 7.41 0.00 -1.26 -4.98 105.19 109.47 1twu n GLY 46 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1twu n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1twu s TYR 47 N -2.88 2.78 0.06 1.61 2.02 -0.66 0.28 117.35 120.57 1twu s TYR 47 Ca 0.00 -0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1twu s TYR 47 Cb 0.00 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1twu s TYR 47 CO 0.00 0.50 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.79 1twu s ASP 48 N -2.75 2.09 0.20 2.29 1.11 -0.69 -0.45 116.67 118.47 1twu s ASP 48 Ca 0.26 -0.55 -0.23 0.00 0.18 0.00 0.00 52.55 52.20 1twu s ASP 48 Cb -0.10 -0.13 0.05 0.00 1.07 0.00 0.00 42.92 43.81 1twu s ASP 48 CO 0.17 0.06 0.76 -0.83 1.18 0.00 0.00 175.17 176.51 1twu s GLY 49 N -1.42 -0.27 -0.04 0.21 0.00 -0.47 -1.15 107.32 104.19 1twu s GLY 49 Ca 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 1twu s GLY 49 CO 0.02 0.02 0.19 0.54 0.00 0.00 0.00 173.10 173.87 1twu s VAL 50 N -3.68 0.04 -0.09 1.40 0.11 -0.59 -1.59 120.40 116.00 1twu s VAL 50 Ca 0.09 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1twu s VAL 50 Cb -0.04 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1twu s VAL 50 CO 0.00 -0.17 -0.19 -0.04 -3.33 0.00 0.00 175.10 171.37 1twu s MET 51 N -0.61 2.92 -0.10 1.54 -1.94 0.27 -1.36 119.30 120.02 1twu s MET 51 Ca -0.07 -0.79 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1twu s MET 51 Cb -0.04 -2.38 -0.01 0.00 2.01 0.00 0.00 34.83 34.41 1twu s MET 51 CO 0.01 0.32 -0.19 -0.06 -0.01 0.00 0.00 175.02 175.09 1twu s PHE 52 N 0.02 2.65 0.57 -0.03 0.08 -0.00 -1.04 117.98 120.23 1twu s PHE 52 Ca -0.07 -0.77 -0.19 0.00 0.12 0.00 0.00 56.93 56.02 1twu s PHE 52 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1twu s PHE 52 CO 0.05 -0.26 1.17 0.20 -0.10 0.00 0.00 175.22 176.28 1twu s GLY 53 N 0.18 2.68 -0.41 4.36 0.00 0.38 -0.84 107.32 113.68 1twu s GLY 53 Ca -0.11 0.92 0.11 0.00 0.00 0.00 0.00 44.72 45.64 1twu s GLY 53 CO 0.06 1.30 0.80 -0.10 0.00 0.00 0.00 173.10 175.16 1twu n LEU 54 N -1.49 1.68 0.03 0.66 7.94 -0.26 -4.44 117.00 121.12 1twu n LEU 54 Ca 0.13 -5.01 0.12 0.00 -1.11 0.00 0.00 56.01 50.14 1twu n LEU 54 Cb 0.50 0.42 0.22 0.00 0.53 0.00 0.00 43.42 45.09 1twu n LEU 54 CO 0.44 2.23 0.41 -0.81 -1.11 0.00 0.00 177.39 178.54 1twu n PRO 55 N 0.13 0.14 0.00 1.96 -0.04 -1.26 -4.70 135.00 131.22 1twu n PRO 55 Ca 0.25 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1twu n PRO 55 Cb 0.63 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1twu n PRO 55 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1twu n HIS 56 N -1.78 0.00 0.04 0.54 8.25 -1.26 -4.62 115.22 116.39 1twu n HIS 56 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1twu n HIS 56 Cb 0.38 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 1twu n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1twu h ALA 57 N 0.34 0.53 -0.79 -1.41 0.00 -1.95 -3.35 119.26 112.62 1twu h ALA 57 Ca 0.00 -1.04 0.17 0.00 0.00 0.00 0.00 54.91 54.05 1twu h ALA 57 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 1twu h ALA 57 CO 0.00 1.28 0.26 -0.44 0.00 0.00 0.00 179.25 180.35 1twu h ASP 58 N 0.00 0.15 -3.29 0.00 3.32 -1.90 -3.35 116.42 111.36 1twu h ASP 58 Ca -0.10 0.14 -0.52 0.00 0.02 0.00 0.00 57.03 56.57 1twu h ASP 58 Cb 1.80 0.16 -0.38 0.00 0.22 0.00 0.00 39.33 41.13 1twu h ASP 58 CO 0.10 0.00 -0.78 -0.31 -1.72 0.00 0.00 179.24 176.53 1twu s TYR 59 N -5.99 1.35 0.22 4.55 1.51 -1.26 -0.02 117.35 117.71 1twu s TYR 59 Ca -0.12 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 1twu s TYR 59 Cb 0.22 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1twu s TYR 59 CO 0.76 -0.55 0.25 -3.38 -1.11 0.00 0.00 175.55 171.52 1twu s HIS 60 N 1.75 0.91 0.11 2.71 -3.43 -0.79 -1.10 115.29 115.45 1twu s HIS 60 Ca 0.01 -1.17 0.05 0.00 -0.80 0.00 0.00 55.06 53.16 1twu s HIS 60 Cb -0.15 -0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.65 1twu s HIS 60 CO -0.07 -0.77 0.01 -0.51 -2.00 0.00 0.00 174.74 171.39 1twu s LEU 61 N -3.12 3.44 -0.02 5.38 1.43 -0.02 -1.91 118.68 123.87 1twu s LEU 61 Ca 0.33 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1twu s LEU 61 Cb 0.04 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1twu s LEU 61 CO 0.11 0.15 -0.05 -0.70 0.23 0.00 0.00 176.35 176.10 1twu s GLU 62 N -2.50 0.54 -0.07 1.70 2.12 -0.08 -0.82 118.70 119.58 1twu s GLU 62 Ca 0.26 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.48 1twu s GLU 62 Cb -0.11 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1twu s GLU 62 CO 0.19 0.04 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.70 1twu s PHE 63 N 0.26 1.99 0.08 5.30 0.08 -0.47 -1.28 117.98 123.94 1twu s PHE 63 Ca -0.03 -0.73 0.07 0.00 0.12 0.00 0.00 56.93 56.36 1twu s PHE 63 Cb -0.07 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1twu s PHE 63 CO -0.00 -0.31 -0.19 0.95 -0.10 0.00 0.00 175.22 175.57 1twu s THR 64 N 0.37 1.53 -0.04 0.64 -4.23 -0.86 -1.54 115.64 111.52 1twu s THR 64 Ca -0.13 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1twu s THR 64 Cb -0.16 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1twu s THR 64 CO 0.05 -0.04 -0.04 -1.58 -0.54 0.00 0.00 174.62 172.47 1twu s GLN 65 N -1.68 0.78 0.04 3.99 0.74 -0.30 -0.11 119.66 123.13 1twu s GLN 65 Ca 0.05 -0.11 -0.20 0.00 0.05 0.00 0.00 55.36 55.14 1twu s GLN 65 Cb -0.10 -0.78 -0.06 0.00 1.10 0.00 0.00 33.01 33.17 1twu s GLN 65 CO 0.03 -0.06 0.59 -0.47 -0.55 0.00 0.00 175.29 174.83 1twu s TYR 66 N 0.81 3.76 0.28 1.67 5.04 -1.26 -1.70 117.35 125.94 1twu s TYR 66 Ca -0.11 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 1twu s TYR 66 Cb -0.14 -2.56 0.54 0.00 0.35 0.00 0.00 41.96 40.16 1twu s TYR 66 CO 0.00 0.48 1.82 1.05 -1.34 0.00 0.00 175.55 177.57 1twu h GLU 67 N 5.01 0.90 -1.83 4.97 4.11 -0.55 -2.10 114.58 125.09 1twu h GLU 67 Ca -0.48 -0.05 -0.34 0.00 0.07 0.00 0.00 59.36 58.56 1twu h GLU 67 Cb 1.21 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 1twu h GLU 67 CO 0.66 0.60 0.24 0.41 0.07 0.00 0.00 179.01 180.99 1twu n GLY 68 N -1.34 3.87 0.48 1.06 0.00 -1.26 -4.92 105.19 103.08 1twu n GLY 68 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1twu n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twu n GLY 69 N 1.01 -3.66 3.10 -0.02 0.00 -0.79 -5.09 105.19 99.76 1twu n GLY 69 Ca 0.37 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1twu n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1twu s SER 70 N -1.69 0.05 0.20 1.61 0.15 -1.25 -4.62 113.70 108.15 1twu s SER 70 Ca 0.00 -0.26 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1twu s SER 70 Cb 0.00 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1twu s SER 70 CO 0.00 -0.39 -0.22 0.42 1.20 0.00 0.00 173.24 174.25 1twu s THR 71 N -1.54 2.29 0.57 6.45 -4.23 -1.26 -3.48 115.64 114.44 1twu s THR 71 Ca -0.14 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 58.24 1twu s THR 71 Cb -0.07 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1twu s THR 71 CO 0.01 -0.20 0.87 0.00 -0.54 0.00 0.00 174.62 174.76 1twu s ALA 72 N -1.89 3.35 0.71 3.99 0.00 -1.26 -3.95 121.76 122.72 1twu s ALA 72 Ca 0.22 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1twu s ALA 72 Cb -0.07 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.51 1twu s ALA 72 CO 0.10 -0.75 1.07 -2.30 0.00 0.00 0.00 175.76 173.88 1twu n PRO 73 N -2.52 0.62 -2.05 0.00 -0.02 -1.26 -4.86 135.00 124.91 1twu n PRO 73 Ca 0.04 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1twu n PRO 73 Cb 0.58 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1twu n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1twu s VAL 74 N -1.74 3.61 0.27 -1.45 1.01 -1.26 -4.92 120.40 115.92 1twu s VAL 74 Ca 0.76 0.79 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 1twu s VAL 74 Cb -0.35 -3.51 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1twu s VAL 74 CO 0.48 -0.06 1.54 -2.65 0.00 0.00 0.00 175.10 174.41 1twu n PRO 75 N 6.82 2.48 -4.70 2.72 -0.02 -1.26 -5.01 135.00 136.03 1twu n PRO 75 Ca 0.16 0.88 -0.27 0.00 -2.02 0.00 0.00 63.50 62.26 1twu n PRO 75 Cb 0.43 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1twu n PRO 75 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1twu s HIS 76 N 0.05 1.82 -0.30 6.00 2.46 -1.26 -5.02 115.29 119.04 1twu s HIS 76 Ca 0.66 -0.74 0.21 0.00 0.47 0.00 0.00 55.06 55.67 1twu s HIS 76 Cb -0.55 -1.30 1.08 0.00 -0.13 0.00 0.00 32.58 31.69 1twu s HIS 76 CO 0.48 -0.35 1.65 -0.35 -2.47 0.00 0.00 174.74 173.70 1twu n PRO 77 N 3.84 0.15 -0.12 2.88 -0.04 -1.26 -1.68 135.00 138.77 1twu n PRO 77 Ca -0.21 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 1twu n PRO 77 Cb 0.52 -1.92 0.16 0.00 -0.04 0.00 0.00 33.50 32.22 1twu n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1twu n ASP 78 N -2.23 3.06 -4.44 3.54 8.00 -1.26 -4.48 116.55 118.75 1twu n ASP 78 Ca -0.00 -1.90 -0.44 0.00 0.71 0.00 0.00 54.79 53.16 1twu n ASP 78 Cb 0.09 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1twu n ASP 78 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1twu s SER 79 N -1.41 6.21 0.32 -2.24 0.15 -0.67 -5.04 113.70 111.02 1twu s SER 79 Ca 0.31 -0.94 0.10 0.00 0.70 0.00 0.00 55.95 56.12 1twu s SER 79 Cb 0.19 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 62.17 1twu s SER 79 CO 0.26 -0.83 -0.11 -0.76 1.20 0.00 0.00 173.24 173.01 1twu s LEU 80 N 2.44 2.75 -0.24 3.45 1.02 -1.26 -3.09 118.68 123.75 1twu s LEU 80 Ca 0.13 -1.08 -0.01 0.00 0.02 0.00 0.00 54.13 53.19 1twu s LEU 80 Cb -0.20 -1.13 0.07 0.00 0.02 0.00 0.00 46.19 44.96 1twu s LEU 80 CO 0.11 -0.12 0.03 -0.22 0.02 0.00 0.00 176.35 176.18 1twu s LEU 81 N -3.60 1.91 -0.21 1.79 2.96 -0.49 -4.98 118.68 116.06 1twu s LEU 81 Ca 0.32 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 1twu s LEU 81 Cb -0.01 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1twu s LEU 81 CO 0.17 -0.32 0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 1twu s VAL 82 N 1.65 4.91 -0.28 1.68 1.01 -1.26 -0.95 120.40 127.16 1twu s VAL 82 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1twu s VAL 82 Cb -0.18 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1twu s VAL 82 CO -0.13 0.40 0.08 -0.36 0.00 0.00 0.00 175.10 175.09 1twu s PHE 83 N 0.82 3.12 -0.60 5.22 0.08 0.13 -4.98 117.98 121.76 1twu s PHE 83 Ca 0.05 -0.73 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 1twu s PHE 83 Cb -0.13 -2.26 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1twu s PHE 83 CO 0.02 -0.49 0.95 0.71 -0.10 0.00 0.00 175.22 176.32 1twu s TYR 84 N 1.55 2.73 -0.65 0.36 2.02 -1.26 -1.03 117.35 121.08 1twu s TYR 84 Ca 0.04 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1twu s TYR 84 Cb -0.16 -4.16 0.17 0.00 -0.40 0.00 0.00 41.96 37.40 1twu s TYR 84 CO 0.03 -1.49 0.47 0.08 -1.57 0.00 0.00 175.55 173.07 1twu s VAL 85 N 4.01 3.85 0.53 0.71 1.01 0.42 -4.85 120.40 126.09 1twu s VAL 85 Ca 0.26 -2.98 0.24 0.00 0.00 0.00 0.00 61.98 59.51 1twu s VAL 85 Cb -0.14 -3.49 0.37 0.00 0.00 0.00 0.00 36.38 33.11 1twu s VAL 85 CO 0.15 -0.90 2.03 1.55 0.00 0.00 0.00 175.10 177.93 1twu h PRO 86 N 7.02 0.00 -5.91 2.72 0.13 -1.70 -3.36 132.00 130.89 1twu h PRO 86 Ca -0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.54 1twu h PRO 86 Cb 0.95 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.97 1twu h PRO 86 CO 0.71 0.00 0.82 1.21 -0.23 0.00 0.00 178.00 180.52 1twu s ASN 87 N -6.34 6.18 0.55 1.44 3.84 -1.26 -4.73 114.94 114.62 1twu s ASN 87 Ca -0.05 -0.74 0.28 0.00 0.21 0.00 0.00 52.86 52.56 1twu s ASN 87 Cb 0.19 -2.49 1.45 0.00 -0.55 0.00 0.00 41.25 39.85 1twu s ASN 87 CO 0.71 -1.64 1.96 0.00 -2.79 0.00 0.00 177.10 175.33 1twu h ALA 88 N 9.80 2.49 -0.27 1.71 0.00 -1.98 -1.29 119.26 129.72 1twu h ALA 88 Ca -0.27 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1twu h ALA 88 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1twu h ALA 88 CO 1.24 -0.77 -0.34 0.28 0.00 0.00 0.00 179.25 179.66 1twu h VAL 89 N 0.00 1.30 -0.46 0.00 2.07 -1.94 -1.08 116.25 116.15 1twu h VAL 89 Ca 0.28 -1.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.15 1twu h VAL 89 Cb 1.20 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1twu h VAL 89 CO -0.00 0.48 -0.23 -0.33 0.02 0.00 0.00 177.57 177.51 1twu h GLU 90 N 0.45 0.96 0.19 1.57 5.08 -1.66 -1.58 114.58 119.58 1twu h GLU 90 Ca 0.04 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1twu h GLU 90 Cb 0.92 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1twu h GLU 90 CO 0.08 1.09 -0.20 1.25 -1.00 0.00 0.00 179.01 180.23 1twu h LEU 91 N 0.81 -0.55 -0.97 1.33 6.46 -1.28 -0.97 115.31 120.15 1twu h LEU 91 Ca 0.10 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 1twu h LEU 91 Cb 0.81 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.86 1twu h LEU 91 CO 0.07 -0.30 0.61 0.00 -0.62 0.00 0.00 178.44 178.20 1twu h ALA 92 N 0.31 1.39 -0.18 1.25 0.00 -1.11 -2.09 119.26 118.84 1twu h ALA 92 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1twu h ALA 92 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1twu h ALA 92 CO -0.06 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.55 1twu h ALA 93 N 1.48 0.23 -0.15 0.00 0.00 -0.77 -1.64 119.26 118.41 1twu h ALA 93 Ca 0.45 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1twu h ALA 93 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1twu h ALA 93 CO -0.22 -0.14 -0.06 0.97 0.00 0.00 0.00 179.25 179.81 1twu h ILE 94 N 0.10 1.30 -0.16 0.00 6.09 -0.92 -1.80 117.51 122.13 1twu h ILE 94 Ca 0.06 -1.07 -0.03 0.00 -1.37 0.00 0.00 64.86 62.45 1twu h ILE 94 Cb 0.24 1.70 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 1twu h ILE 94 CO -0.00 0.31 -0.04 0.71 -3.07 0.00 0.00 178.15 176.06 1twu h THR 95 N -0.02 1.13 -0.27 2.19 1.35 -1.44 -1.86 112.91 114.00 1twu h THR 95 Ca 0.04 -0.54 -0.18 0.00 -0.55 0.00 0.00 66.41 65.18 1twu h THR 95 Cb 0.51 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1twu h THR 95 CO 0.02 0.17 -0.53 -1.28 -0.25 0.00 0.00 175.52 173.65 1twu h SER 96 N 0.23 0.89 -0.60 5.36 0.87 -1.18 -2.37 113.55 116.75 1twu h SER 96 Ca 0.05 -0.47 -0.06 0.00 -1.23 0.00 0.00 61.79 60.08 1twu h SER 96 Cb 0.23 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1twu h SER 96 CO 0.01 1.25 0.14 0.50 -0.53 0.00 0.00 176.83 178.19 1twu h LYS 97 N 0.62 0.97 -0.60 2.24 3.64 -0.77 -1.73 116.57 120.94 1twu h LYS 97 Ca 0.02 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1twu h LYS 97 Cb 1.13 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1twu h LYS 97 CO 0.12 0.89 0.01 -0.07 -2.27 0.00 0.00 179.45 178.12 1twu h LEU 98 N 0.88 1.03 -0.69 5.20 3.38 -1.30 -1.36 115.31 122.45 1twu h LEU 98 Ca 0.19 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1twu h LEU 98 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1twu h LEU 98 CO 0.00 1.08 -0.36 0.11 0.09 0.00 0.00 178.44 179.37 1twu h LYS 99 N 0.95 0.61 0.00 1.13 1.57 -1.33 -1.06 116.57 118.44 1twu h LYS 99 Ca 0.17 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1twu h LYS 99 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1twu h LYS 99 CO 0.03 0.88 0.00 0.45 -0.57 0.00 0.00 179.45 180.24 1twu h HIS 100 N 0.51 0.00 0.00 -1.35 3.86 -1.12 -1.58 115.15 115.47 1twu h HIS 100 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1twu h HIS 100 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1twu h HIS 100 CO 0.04 0.00 -0.19 -1.33 0.86 0.00 0.00 177.93 177.30 1twu n MET 101 N -3.05 0.08 0.00 2.45 2.81 -0.53 -4.93 117.12 113.95 1twu n MET 101 Ca 0.02 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1twu n MET 101 Cb 0.37 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1twu n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1twu n GLY 102 N 1.45 0.96 3.76 3.03 0.00 -0.59 -5.08 105.19 108.71 1twu n GLY 102 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1twu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1twu s TYR 103 N -2.00 3.91 0.14 1.61 2.02 -0.44 -4.98 117.35 117.61 1twu s TYR 103 Ca 0.00 1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 58.14 1twu s TYR 103 Cb 0.00 -2.88 -0.07 0.00 -0.40 0.00 0.00 41.96 38.61 1twu s TYR 103 CO 0.00 0.43 0.99 -0.65 -1.57 0.00 0.00 175.55 174.75 1twu s GLN 104 N -0.90 4.69 -0.07 -0.62 -1.52 -1.26 -4.00 119.66 115.99 1twu s GLN 104 Ca 0.39 1.52 -0.16 0.00 -1.95 0.00 0.00 55.36 55.16 1twu s GLN 104 Cb -0.24 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 1twu s GLN 104 CO 0.28 0.22 0.43 -2.00 -0.25 0.00 0.00 175.29 173.97 1twu s GLU 105 N -0.24 4.15 0.31 2.91 2.12 -1.26 -1.85 118.70 124.84 1twu s GLU 105 Ca 0.47 0.40 0.09 0.00 0.36 0.00 0.00 54.97 56.28 1twu s GLU 105 Cb -0.25 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 1twu s GLU 105 CO 0.31 0.41 -0.09 0.14 -0.54 0.00 0.00 175.26 175.49 1twu s VAL 106 N -0.17 2.06 -0.33 3.70 -7.23 0.38 -4.98 120.40 113.83 1twu s VAL 106 Ca 0.24 -2.20 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 1twu s VAL 106 Cb -0.16 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.25 1twu s VAL 106 CO 0.11 -0.26 0.86 -0.70 -0.31 0.00 0.00 175.10 174.80 1twu s GLU 107 N -3.64 3.91 0.63 4.82 2.56 -1.26 -4.29 118.70 121.42 1twu s GLU 107 Ca 0.31 0.60 -0.18 0.00 0.00 0.00 0.00 54.97 55.70 1twu s GLU 107 Cb 0.02 -3.76 -0.03 0.00 2.00 0.00 0.00 34.13 32.36 1twu s GLU 107 CO 0.15 -0.81 1.11 -1.13 -0.56 0.00 0.00 175.26 174.02 1twu n SER 108 N 6.48 1.33 0.18 -1.70 3.41 -1.26 -4.92 113.62 117.14 1twu n SER 108 Ca 0.06 0.81 -0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1twu n SER 108 Cb 0.48 -1.46 -0.08 0.00 -0.26 0.00 0.00 64.21 62.88 1twu n SER 108 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1twu h GLU 109 N 0.48 -0.44 -6.24 4.33 4.39 -1.96 -3.40 114.58 111.75 1twu h GLU 109 Ca -0.50 0.03 -0.58 0.00 0.34 0.00 0.00 59.36 58.66 1twu h GLU 109 Cb 1.35 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 30.03 1twu h GLU 109 CO 0.52 -0.16 0.79 1.21 -1.16 0.00 0.00 179.01 180.21 1twu s ASN 110 N -4.96 6.90 0.23 1.42 3.84 -1.26 -4.88 114.94 116.23 1twu s ASN 110 Ca -0.15 1.01 0.13 0.00 0.21 0.00 0.00 52.86 54.06 1twu s ASN 110 Cb 0.03 -2.53 0.68 0.00 -0.55 0.00 0.00 41.25 38.88 1twu s ASN 110 CO 0.58 -0.85 1.32 -0.81 -2.79 0.00 0.00 177.10 174.55 1twu n PRO 111 N 6.78 0.08 0.23 0.43 -0.04 -1.26 -1.97 135.00 139.25 1twu n PRO 111 Ca 0.11 0.55 -0.15 0.00 -0.04 0.00 0.00 63.50 63.96 1twu n PRO 111 Cb 0.47 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1twu n PRO 111 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1twu h TYR 112 N 0.00 -0.47 0.00 0.54 3.20 -1.94 -1.75 116.97 116.55 1twu h TYR 112 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1twu h TYR 112 Cb 0.27 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1twu h TYR 112 CO 0.00 -0.29 0.00 0.91 -1.64 0.00 0.00 178.16 177.14 1twu n TRP 113 N -5.31 0.00 0.19 -3.82 7.02 -0.83 -0.94 117.44 113.75 1twu n TRP 113 Ca -0.11 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.47 1twu n TRP 113 Cb 0.22 -0.46 0.12 0.00 -2.42 0.00 0.00 31.31 28.77 1twu n TRP 113 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1twu h SER 114 N 0.00 0.00 -2.12 -0.99 0.87 -1.41 -2.96 113.55 106.94 1twu h SER 114 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1twu h SER 114 Cb 0.14 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.96 1twu h SER 114 CO 0.00 0.11 0.96 0.20 -0.53 0.00 0.00 176.83 177.57 1twu s ASN 115 N -6.16 6.43 -0.18 6.23 0.01 -0.11 -3.97 114.94 117.20 1twu s ASN 115 Ca 0.05 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.74 1twu s ASN 115 Cb 0.06 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1twu s ASN 115 CO 0.70 -1.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.54 1twu n GLY 116 N 5.81 0.39 2.99 0.66 0.00 -1.26 -4.91 105.19 108.87 1twu n GLY 116 Ca 0.17 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1twu n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1twu s GLY 117 N -2.94 0.27 -0.10 -0.02 0.00 -1.12 -0.85 107.32 102.57 1twu s GLY 117 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1twu s GLY 117 CO 0.00 -0.70 -0.17 0.14 0.00 0.00 0.00 173.10 172.37 1twu s VAL 118 N -1.57 1.55 -0.20 1.40 1.01 -0.35 -4.55 120.40 117.68 1twu s VAL 118 Ca -0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1twu s VAL 118 Cb -0.09 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1twu s VAL 118 CO -0.01 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 174.63 1twu s THR 119 N 0.77 3.80 -0.07 3.92 2.01 -1.26 -0.83 115.64 123.98 1twu s THR 119 Ca -0.11 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1twu s THR 119 Cb -0.16 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1twu s THR 119 CO 0.02 0.43 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.50 1twu s ILE 120 N 1.11 2.07 0.11 1.82 -1.09 0.19 -0.47 121.20 124.94 1twu s ILE 120 Ca 0.02 -1.05 -0.23 0.00 -2.23 0.00 0.00 60.65 57.16 1twu s ILE 120 Cb -0.14 -1.75 -0.07 0.00 -1.58 0.00 0.00 42.46 38.91 1twu s ILE 120 CO 0.01 0.57 0.68 -1.61 -1.23 0.00 0.00 174.94 173.36 1twu s GLU 121 N -0.07 4.40 0.84 2.79 2.02 -0.77 -0.64 118.70 127.27 1twu s GLU 121 Ca -0.06 0.96 -0.11 0.00 0.02 0.00 0.00 54.97 55.77 1twu s GLU 121 Cb -0.15 -3.26 0.14 0.00 0.10 0.00 0.00 34.13 30.96 1twu s GLU 121 CO 0.05 0.57 1.18 0.16 0.02 0.00 0.00 175.26 177.24 1twu s ASP 122 N -1.00 3.93 0.55 -0.19 -4.77 -0.45 -4.50 116.67 110.25 1twu s ASP 122 Ca 0.33 0.32 0.37 0.00 -3.30 0.00 0.00 52.55 50.27 1twu s ASP 122 Cb -0.21 -0.63 1.54 0.00 -1.09 0.00 0.00 42.92 42.53 1twu s ASP 122 CO 0.23 -2.20 1.77 -0.65 0.70 0.00 0.00 175.17 175.01 1twu h PRO 123 N -1.15 0.00 -0.38 2.11 0.11 -1.91 -1.06 132.00 129.73 1twu h PRO 123 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1twu h PRO 123 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1twu h PRO 123 CO 0.49 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.03 1twu n ASP 124 N -4.09 4.28 0.00 -2.05 8.00 -1.26 -4.96 116.55 116.47 1twu n ASP 124 Ca 0.26 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.93 1twu n ASP 124 Cb 1.29 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1twu n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1twu n GLY 125 N 0.02 0.64 3.74 0.44 0.00 -0.40 -4.61 105.19 105.01 1twu n GLY 125 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1twu n GLY 125 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1twu s TRP 126 N -2.18 3.53 -0.49 1.61 -0.00 -1.26 -4.63 118.94 115.52 1twu s TRP 126 Ca 0.00 1.57 -0.26 0.00 -0.00 0.00 0.00 56.10 57.41 1twu s TRP 126 Cb 0.00 -3.33 0.03 0.00 -0.00 0.00 0.00 33.47 30.17 1twu s TRP 126 CO 0.00 -0.79 0.97 1.03 -0.00 0.00 0.00 176.95 178.17 1twu s ARG 127 N -0.63 3.52 -0.39 5.86 1.81 -1.18 -1.34 118.95 126.61 1twu s ARG 127 Ca 0.49 0.15 -0.16 0.00 -1.72 0.00 0.00 55.73 54.49 1twu s ARG 127 Cb -0.31 -3.95 0.01 0.00 -0.45 0.00 0.00 34.95 30.25 1twu s ARG 127 CO 0.37 -1.32 0.41 0.42 -0.68 0.00 0.00 175.30 174.50 1twu s ILE 128 N 3.96 5.12 -0.11 1.52 -1.09 0.19 -1.40 121.20 129.39 1twu s ILE 128 Ca 0.38 -0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.58 1twu s ILE 128 Cb -0.10 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1twu s ILE 128 CO 0.26 -0.28 0.04 -0.69 -1.23 0.00 0.00 174.94 173.03 1twu s VAL 129 N 2.09 4.62 -0.31 2.92 1.01 -0.13 -0.64 120.40 129.96 1twu s VAL 129 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1twu s VAL 129 Cb -0.17 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.31 1twu s VAL 129 CO 0.13 0.59 -0.00 -0.36 0.00 0.00 0.00 175.10 175.45 1twu s PHE 130 N -0.74 3.50 -0.20 5.22 0.08 -0.01 0.18 117.98 126.01 1twu s PHE 130 Ca 0.12 -2.57 -0.09 0.00 0.12 0.00 0.00 56.93 54.51 1twu s PHE 130 Cb -0.12 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 1twu s PHE 130 CO 0.02 -0.91 0.10 1.41 -0.10 0.00 0.00 175.22 175.75 1twu s MET 131 N 1.04 4.06 -1.35 0.44 -2.45 -0.19 -1.22 119.30 119.64 1twu s MET 131 Ca 0.01 -0.29 -0.16 0.00 -1.25 0.00 0.00 55.69 54.00 1twu s MET 131 Cb -0.20 -3.34 0.02 0.00 1.25 0.00 0.00 34.83 32.56 1twu s MET 131 CO -0.06 0.24 2.08 -1.71 1.05 0.00 0.00 175.02 176.63 1twu n ASN 132 N 3.67 3.95 -1.57 1.11 4.05 -0.03 -0.43 115.26 126.01 1twu n ASN 132 Ca -0.16 -2.84 -0.03 0.00 0.45 0.00 0.00 54.58 52.01 1twu n ASN 132 Cb 0.52 -1.63 0.01 0.00 1.23 0.00 0.00 39.78 39.91 1twu n ASN 132 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1twu n SER 133 N 7.01 -0.71 -0.64 1.20 3.41 -1.26 -4.84 113.62 117.79 1twu n SER 133 Ca 0.51 -1.48 0.08 0.00 -0.26 0.00 0.00 58.87 57.71 1twu n SER 133 Cb 0.41 1.18 0.07 0.00 -0.26 0.00 0.00 64.21 65.61 1twu n SER 133 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1twu n LYS 134 N -0.17 1.21 0.00 4.33 5.02 -1.26 -2.67 118.16 124.63 1twu n LYS 134 Ca -0.03 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 1twu n LYS 134 Cb 0.19 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1twu n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1twu n GLY 135 N 0.90 -0.06 3.76 0.72 0.00 -1.26 -4.94 105.19 104.31 1twu n GLY 135 Ca 0.09 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1twu n GLY 135 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1twu s ILE 136 N 0.00 4.49 0.16 -0.61 -4.36 -1.26 -5.02 121.20 114.59 1twu s ILE 136 Ca 0.00 -0.69 -0.07 0.00 -0.26 0.00 0.00 60.65 59.64 1twu s ILE 136 Cb 0.00 -3.12 -0.09 0.00 1.25 0.00 0.00 42.46 40.50 1twu s ILE 136 CO 0.00 0.20 1.43 0.77 0.24 0.00 0.00 174.94 177.58 1twu h SER 137 N 3.60 0.75 0.00 4.36 4.64 -2.07 -3.47 113.55 121.36 1twu h SER 137 Ca -0.47 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1twu h SER 137 Cb 1.17 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1twu h SER 137 CO 0.64 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 178.39 1twu n GLY 138 N 0.42 1.23 0.90 -0.77 0.00 -1.26 -5.30 105.19 100.40 1twu n GLY 138 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1twu n GLY 138 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90