#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5ttr h PRO 11 N 0.00 1.16 -4.93 0.00 0.13 -1.89 -3.41 132.00 123.06 5ttr h PRO 11 Ca 0.00 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 64.33 5ttr h PRO 11 Cb 0.00 -0.23 -0.27 0.00 0.13 0.00 0.00 31.00 30.63 5ttr h PRO 11 CO 0.00 0.85 -0.68 -1.17 -0.23 0.00 0.00 178.00 176.76 5ttr s LEU 12 N -9.94 3.27 -0.10 1.56 0.20 -1.26 0.10 118.68 112.51 5ttr s LEU 12 Ca -0.13 -0.51 0.04 0.00 0.69 0.00 0.00 54.13 54.22 5ttr s LEU 12 Cb 0.16 -1.79 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 5ttr s LEU 12 CO 0.81 -0.08 -0.24 -0.04 -0.29 0.00 0.00 176.35 176.52 5ttr s MET 13 N 1.48 3.00 -0.14 1.98 -1.94 0.45 -4.62 119.30 119.51 5ttr s MET 13 Ca 0.04 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 5ttr s MET 13 Cb -0.15 -2.27 -0.00 0.00 2.01 0.00 0.00 34.83 34.41 5ttr s MET 13 CO -0.01 0.18 -0.17 0.08 -0.01 0.00 0.00 175.02 175.10 5ttr s VAL 14 N 0.33 2.58 -0.16 -6.03 1.01 -1.26 0.00 120.40 116.89 5ttr s VAL 14 Ca -0.18 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 60.99 5ttr s VAL 14 Cb -0.18 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 5ttr s VAL 14 CO 0.09 0.52 -0.15 -0.75 0.00 0.00 0.00 175.10 174.81 5ttr s LYS 15 N 0.69 3.21 -0.19 2.72 2.20 0.12 -4.08 119.74 124.41 5ttr s LYS 15 Ca -0.08 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 5ttr s LYS 15 Cb -0.16 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 5ttr s LYS 15 CO 0.02 0.01 0.05 0.08 -0.36 0.00 0.00 175.35 175.15 5ttr s VAL 16 N 0.82 4.56 0.08 4.02 1.01 -0.23 -1.96 120.40 128.71 5ttr s VAL 16 Ca -0.05 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.90 5ttr s VAL 16 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 5ttr s VAL 16 CO -0.00 0.44 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 5ttr s LEU 17 N 0.62 2.25 -0.35 3.92 1.43 -0.10 -1.87 118.68 124.58 5ttr s LEU 17 Ca 0.02 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 5ttr s LEU 17 Cb -0.13 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 5ttr s LEU 17 CO 0.02 0.12 0.31 -0.62 0.23 0.00 0.00 176.35 176.41 5ttr s ASP 18 N -1.66 6.12 0.33 2.29 2.15 0.85 -0.21 116.67 126.54 5ttr s ASP 18 Ca 0.08 -0.42 0.18 0.00 0.43 0.00 0.00 52.55 52.82 5ttr s ASP 18 Cb -0.10 -2.17 0.24 0.00 -0.30 0.00 0.00 42.92 40.60 5ttr s ASP 18 CO 0.04 -0.33 1.53 0.00 -0.17 0.00 0.00 175.17 176.24 5ttr h ALA 19 N 8.51 0.78 0.00 3.66 0.00 -1.67 -1.78 119.26 128.77 5ttr h ALA 19 Ca -0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 5ttr h ALA 19 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 5ttr h ALA 19 CO 0.68 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 180.64 5ttr h VAL 20 N 0.00 1.67 0.00 0.00 2.07 -1.94 -3.38 116.25 114.66 5ttr h VAL 20 Ca -0.00 -2.02 -0.17 0.00 0.82 0.00 0.00 66.70 65.33 5ttr h VAL 20 Cb 1.22 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 5ttr h VAL 20 CO 0.05 0.53 -1.28 -0.09 0.02 0.00 0.00 177.57 176.80 5ttr h ARG 21 N -0.81 0.00 -1.50 1.57 2.43 -1.95 -3.49 114.38 110.63 5ttr h ARG 21 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 5ttr h ARG 21 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 5ttr h ARG 21 CO 0.01 0.36 0.00 0.41 -1.51 0.00 0.00 179.97 179.24 5ttr n GLY 22 N 1.38 0.70 3.80 2.80 0.00 -0.68 -5.06 105.19 108.12 5ttr n GLY 22 Ca -0.08 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 5ttr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 5ttr s SER 23 N -2.99 0.02 0.49 1.61 1.04 -1.13 -5.00 113.70 107.75 5ttr s SER 23 Ca 0.00 -1.14 -0.23 0.00 0.48 0.00 0.00 55.95 55.06 5ttr s SER 23 Cb 0.00 0.85 -0.06 0.00 0.10 0.00 0.00 66.02 66.90 5ttr s SER 23 CO 0.00 -1.68 1.29 -2.84 0.98 0.00 0.00 173.24 170.99 5ttr s PRO 24 N -2.36 3.48 -0.49 4.02 0.02 -1.26 -0.11 135.00 138.30 5ttr s PRO 24 Ca 0.16 2.08 -0.22 0.00 0.02 0.00 0.00 61.00 63.03 5ttr s PRO 24 Cb -0.05 -2.39 0.04 0.00 0.02 0.00 0.00 34.50 32.11 5ttr s PRO 24 CO 0.12 -0.87 0.79 0.00 -0.33 0.00 0.00 177.00 176.71 5ttr s ALA 25 N -1.37 3.27 0.17 -1.55 0.00 -0.78 -4.63 121.76 116.87 5ttr s ALA 25 Ca 0.66 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 5ttr s ALA 25 Cb -0.36 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 5ttr s ALA 25 CO 0.44 -2.06 0.81 0.42 0.00 0.00 0.00 175.76 175.36 5ttr s ILE 26 N 3.33 4.33 -1.46 0.00 1.01 -1.26 -4.30 121.20 122.85 5ttr s ILE 26 Ca 0.27 1.77 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 5ttr s ILE 26 Cb -0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.17 5ttr s ILE 26 CO 0.19 0.51 0.41 -3.20 0.00 0.00 0.00 174.94 172.86 5ttr n ASN 27 N 1.63 -5.65 -4.80 3.58 5.15 -0.06 -4.90 115.26 110.21 5ttr n ASN 27 Ca -0.05 -0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.35 5ttr n ASN 27 Cb 0.48 -4.53 -0.06 0.00 -0.53 0.00 0.00 39.78 35.14 5ttr n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 5ttr s VAL 28 N -3.08 4.94 -0.02 3.44 1.01 -1.26 -4.75 120.40 120.69 5ttr s VAL 28 Ca 0.20 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 5ttr s VAL 28 Cb -0.09 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 5ttr s VAL 28 CO 0.25 0.52 0.59 0.00 0.00 0.00 0.00 175.10 176.46 5ttr s ALA 29 N -0.74 3.48 -0.07 5.51 0.00 -1.26 -0.48 121.76 128.20 5ttr s ALA 29 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.24 5ttr s ALA 29 Cb -0.18 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.22 5ttr s ALA 29 CO 0.15 0.13 -0.06 0.54 0.00 0.00 0.00 175.76 176.53 5ttr s VAL 30 N -0.05 0.71 -0.20 0.00 0.11 0.46 -1.87 120.40 119.57 5ttr s VAL 30 Ca 0.31 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 5ttr s VAL 30 Cb -0.18 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 5ttr s VAL 30 CO 0.17 0.28 0.04 -1.00 -3.33 0.00 0.00 175.10 171.26 5ttr s HIS 31 N 1.24 3.12 -0.14 1.54 3.76 -0.60 -0.67 115.29 123.55 5ttr s HIS 31 Ca -0.05 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 5ttr s HIS 31 Cb -0.14 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 5ttr s HIS 31 CO -0.02 -0.10 -0.01 0.08 -0.85 0.00 0.00 174.74 173.85 5ttr s VAL 32 N 0.85 4.19 0.27 -0.90 1.01 -0.71 -0.09 120.40 125.01 5ttr s VAL 32 Ca 0.02 -0.26 0.12 0.00 0.00 0.00 0.00 61.98 61.86 5ttr s VAL 32 Cb -0.14 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 5ttr s VAL 32 CO 0.02 0.51 -0.18 -0.36 0.00 0.00 0.00 175.10 175.10 5ttr s PHE 33 N 0.06 2.34 -0.02 5.22 0.40 -0.96 -0.49 117.98 124.54 5ttr s PHE 33 Ca 0.02 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 5ttr s PHE 33 Cb -0.13 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 5ttr s PHE 33 CO 0.02 0.70 -0.16 0.50 0.70 0.00 0.00 175.22 176.98 5ttr s ARG 34 N -3.47 1.42 -0.02 0.44 3.52 0.21 -2.27 118.95 118.77 5ttr s ARG 34 Ca 0.30 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 5ttr s ARG 34 Cb -0.05 -1.32 -0.05 0.00 -1.56 0.00 0.00 34.95 31.96 5ttr s ARG 34 CO 0.15 0.30 1.49 0.15 -0.81 0.00 0.00 175.30 176.58 5ttr s LYS 35 N -0.22 4.24 0.24 5.12 3.01 0.20 0.58 119.74 132.90 5ttr s LYS 35 Ca 0.03 2.04 0.03 0.00 -1.01 0.00 0.00 55.97 57.06 5ttr s LYS 35 Cb -0.08 -3.71 -0.03 0.00 -1.01 0.00 0.00 37.83 33.00 5ttr s LYS 35 CO 0.00 -0.68 0.39 0.00 0.51 0.00 0.00 175.35 175.56 5ttr s ALA 36 N 2.99 3.88 0.00 5.17 0.00 0.47 -4.69 121.76 129.59 5ttr s ALA 36 Ca 0.67 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.52 5ttr s ALA 36 Cb -0.32 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 20.97 5ttr s ALA 36 CO 0.27 0.26 0.00 0.00 0.00 0.00 0.00 175.76 176.28 5ttr n ALA 37 N -1.28 0.00 -0.48 0.00 0.00 -1.26 -0.49 120.51 117.00 5ttr n ALA 37 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 5ttr n ALA 37 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 5ttr n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 5ttr n ASP 38 N -0.52 3.95 0.00 0.00 5.75 -1.26 -4.81 116.55 119.65 5ttr n ASP 38 Ca 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 5ttr n ASP 38 Cb 0.00 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.19 5ttr n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 5ttr n ASP 39 N 1.92 -1.43 -4.86 -1.12 9.92 0.36 -4.93 116.55 116.40 5ttr n ASP 39 Ca 0.09 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.01 5ttr n ASP 39 Cb 0.46 -2.68 -0.05 0.00 -0.64 0.00 0.00 41.12 38.20 5ttr n ASP 39 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 5ttr s THR 40 N -1.06 5.04 -0.22 -3.53 2.01 -1.19 -4.82 115.64 111.87 5ttr s THR 40 Ca 0.00 0.53 -0.21 0.00 0.31 0.00 0.00 61.69 62.32 5ttr s THR 40 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 5ttr s THR 40 CO 0.00 0.26 0.64 0.26 -0.69 0.00 0.00 174.62 175.09 5ttr s TRP 41 N -1.43 3.33 -0.20 4.92 0.52 -1.26 0.18 118.94 125.00 5ttr s TRP 41 Ca 0.35 0.89 -0.08 0.00 0.02 0.00 0.00 56.10 57.27 5ttr s TRP 41 Cb -0.14 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 5ttr s TRP 41 CO 0.19 -0.25 0.09 -1.21 0.02 0.00 0.00 176.95 175.78 5ttr s GLU 42 N 2.21 4.00 0.14 4.98 8.01 0.20 -4.78 118.70 133.45 5ttr s GLU 42 Ca 0.28 -0.32 -0.34 0.00 0.01 0.00 0.00 54.97 54.59 5ttr s GLU 42 Cb -0.16 -3.31 -0.14 0.00 -4.31 0.00 0.00 34.13 26.22 5ttr s GLU 42 CO 0.09 0.21 1.58 -0.35 0.01 0.00 0.00 175.26 176.80 5ttr n PRO 43 N 3.76 2.05 -0.01 0.39 -0.04 -1.26 0.66 135.00 140.55 5ttr n PRO 43 Ca -0.16 0.74 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 5ttr n PRO 43 Cb 0.52 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 5ttr n PRO 43 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 5ttr n PHE 44 N 3.55 0.00 -3.93 0.54 -0.00 0.36 -4.80 117.46 113.18 5ttr n PHE 44 Ca 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.52 5ttr n PHE 44 Cb 0.28 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.48 39.64 5ttr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 5ttr s ALA 45 N -2.05 -0.26 -0.26 3.13 0.00 -0.39 -4.97 121.76 116.95 5ttr s ALA 45 Ca -0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 5ttr s ALA 45 Cb 0.01 0.90 0.13 0.00 0.00 0.00 0.00 23.12 24.16 5ttr s ALA 45 CO 0.07 -0.91 1.08 -1.12 0.00 0.00 0.00 175.76 174.87 5ttr s SER 46 N -3.10 -0.38 0.26 0.00 0.01 -1.26 -1.75 113.70 107.49 5ttr s SER 46 Ca 0.21 0.66 -0.15 0.00 1.31 0.00 0.00 55.95 57.97 5ttr s SER 46 Cb -0.03 0.64 0.06 0.00 0.21 0.00 0.00 66.02 66.90 5ttr s SER 46 CO 0.13 -0.17 0.76 0.61 0.41 0.00 0.00 173.24 174.98 5ttr n GLY 47 N 1.78 0.94 2.86 3.44 0.00 0.16 -4.95 105.19 109.42 5ttr n GLY 47 Ca -0.11 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 5ttr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5ttr s LYS 48 N -2.06 0.32 0.73 1.61 1.02 -1.25 -0.40 119.74 119.70 5ttr s LYS 48 Ca 0.16 -0.01 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 5ttr s LYS 48 Cb -0.03 -0.42 0.04 0.00 -0.52 0.00 0.00 37.83 36.90 5ttr s LYS 48 CO 0.08 -0.05 1.15 0.95 -0.92 0.00 0.00 175.35 176.55 5ttr s THR 49 N 0.59 2.75 0.26 2.17 -4.23 0.37 -4.48 115.64 113.07 5ttr s THR 49 Ca -0.06 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.75 5ttr s THR 49 Cb -0.09 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 71.00 5ttr s THR 49 CO -0.01 -0.23 0.35 -1.20 -0.54 0.00 0.00 174.62 172.99 5ttr n SER 50 N -2.86 0.15 0.24 3.99 7.64 -0.98 -0.88 113.62 120.92 5ttr n SER 50 Ca 0.12 -1.20 0.12 0.00 1.01 0.00 0.00 58.87 58.91 5ttr n SER 50 Cb 0.51 -0.26 0.58 0.00 -1.01 0.00 0.00 64.21 64.04 5ttr n SER 50 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 5ttr h GLU 51 N 0.00 0.00 -0.03 1.43 4.81 -1.91 -2.44 114.58 116.44 5ttr h GLU 51 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 5ttr h GLU 51 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 5ttr h GLU 51 CO 0.09 0.17 0.00 -1.13 -0.73 0.00 0.00 179.01 177.42 5ttr n SER 52 N -3.46 0.60 0.00 1.04 3.41 -1.26 -4.64 113.62 109.30 5ttr n SER 52 Ca -0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 5ttr n SER 52 Cb 0.35 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 5ttr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5ttr n GLY 53 N 1.01 1.31 3.61 5.00 0.00 -0.92 -4.82 105.19 110.38 5ttr n GLY 53 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 5ttr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5ttr s GLU 54 N -0.13 3.34 -0.00 1.61 2.02 -1.26 -1.07 118.70 123.21 5ttr s GLU 54 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 5ttr s GLU 54 Cb 0.00 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 5ttr s GLU 54 CO 0.00 0.49 1.30 -2.14 0.02 0.00 0.00 175.26 174.94 5ttr s PRO 55 N -0.31 4.33 0.10 0.39 0.02 -1.26 -2.31 135.00 135.97 5ttr s PRO 55 Ca 0.06 1.85 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 5ttr s PRO 55 Cb -0.12 -3.51 -0.07 0.00 0.02 0.00 0.00 34.50 30.82 5ttr s PRO 55 CO 0.02 -0.48 0.60 -1.58 -0.33 0.00 0.00 177.00 175.23 5ttr s HIS 56 N 2.05 3.79 -0.64 6.54 2.46 -1.26 -4.55 115.29 123.68 5ttr s HIS 56 Ca 0.60 1.30 -0.08 0.00 0.47 0.00 0.00 55.06 57.35 5ttr s HIS 56 Cb -0.29 -2.52 0.01 0.00 -0.13 0.00 0.00 32.58 29.65 5ttr s HIS 56 CO 0.26 0.55 0.65 0.41 -2.47 0.00 0.00 174.74 174.14 5ttr n GLY 57 N 1.55 -1.13 0.17 1.59 0.00 -1.26 -4.98 105.19 101.12 5ttr n GLY 57 Ca -0.09 0.78 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 5ttr n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5ttr h LEU 58 N 0.90 -0.28 -8.83 0.99 5.85 -1.82 -3.48 115.31 108.64 5ttr h LEU 58 Ca -0.17 -0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.19 5ttr h LEU 58 Cb 1.11 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.07 5ttr h LEU 58 CO 0.28 0.19 -0.62 -0.89 -0.34 0.00 0.00 178.44 177.06 5ttr s THR 59 N -2.72 0.53 -0.18 1.05 2.01 -1.26 -4.70 115.64 110.37 5ttr s THR 59 Ca -0.06 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 59.86 5ttr s THR 59 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 5ttr s THR 59 CO 0.18 -0.07 0.13 -0.89 -0.69 0.00 0.00 174.62 173.28 5ttr s THR 60 N -3.77 5.38 0.34 -0.82 2.01 -1.26 -4.63 115.64 112.89 5ttr s THR 60 Ca 0.36 0.18 0.26 0.00 0.31 0.00 0.00 61.69 62.79 5ttr s THR 60 Cb 0.08 -3.42 0.26 0.00 0.01 0.00 0.00 72.50 69.42 5ttr s THR 60 CO 0.12 0.49 1.75 -0.08 -0.69 0.00 0.00 174.62 176.21 5ttr h GLU 61 N 6.23 0.00 0.00 4.92 4.81 -1.99 0.32 114.58 128.87 5ttr h GLU 61 Ca -0.44 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.59 5ttr h GLU 61 Cb 1.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 5ttr h GLU 61 CO 0.71 0.00 -1.21 0.93 -0.73 0.00 0.00 179.01 178.71 5ttr h GLU 62 N 0.00 0.00 0.00 1.92 4.39 -2.03 -3.33 114.58 115.52 5ttr h GLU 62 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 5ttr h GLU 62 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 5ttr h GLU 62 CO 0.00 0.57 -1.60 -1.91 -1.16 0.00 0.00 179.01 174.91 5ttr n GLU 63 N -3.11 0.45 -2.64 2.33 2.13 0.92 -4.65 120.64 116.06 5ttr n GLU 63 Ca -0.07 -0.12 -0.43 0.00 0.66 0.00 0.00 57.16 57.20 5ttr n GLU 63 Cb 0.90 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.10 5ttr n GLU 63 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 5ttr s PHE 64 N -3.29 2.81 0.79 4.31 5.36 -0.01 -4.93 117.98 123.02 5ttr s PHE 64 Ca -0.02 -1.43 -0.06 0.00 -0.96 0.00 0.00 56.93 54.46 5ttr s PHE 64 Cb 0.14 -4.66 0.14 0.00 -0.34 0.00 0.00 43.02 38.31 5ttr s PHE 64 CO 0.88 -1.78 1.10 0.54 -1.46 0.00 0.00 175.22 174.50 5ttr s VAL 65 N 4.05 2.12 0.47 3.12 0.11 -1.26 -4.96 120.40 124.05 5ttr s VAL 65 Ca 0.49 -0.36 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 5ttr s VAL 65 Cb 0.01 -2.76 -0.07 0.00 -1.53 0.00 0.00 36.38 32.03 5ttr s VAL 65 CO 0.00 0.00 1.16 -1.83 -3.33 0.00 0.00 175.10 171.10 5ttr s GLU 66 N -5.39 3.70 0.00 1.54 1.03 -1.26 -4.78 118.70 113.54 5ttr s GLU 66 Ca 0.68 1.74 0.00 0.00 0.03 0.00 0.00 54.97 57.42 5ttr s GLU 66 Cb -0.06 -2.34 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 5ttr s GLU 66 CO 0.47 -0.59 0.00 0.41 -1.33 0.00 0.00 175.26 174.22 5ttr n GLY 67 N 0.39 0.21 3.46 -3.83 0.00 -0.78 -4.96 105.19 99.68 5ttr n GLY 67 Ca 0.08 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 5ttr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5ttr s ILE 68 N -2.00 5.21 0.29 -0.61 1.01 -1.26 0.17 121.20 124.01 5ttr s ILE 68 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.04 5ttr s ILE 68 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 5ttr s ILE 68 CO 0.00 -0.36 0.48 -0.31 0.00 0.00 0.00 174.94 174.75 5ttr s TYR 69 N 1.80 3.49 -0.14 3.97 2.02 0.15 -0.63 117.35 128.00 5ttr s TYR 69 Ca 0.07 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 5ttr s TYR 69 Cb -0.19 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 5ttr s TYR 69 CO 0.11 0.23 0.02 0.21 -1.57 0.00 0.00 175.55 174.55 5ttr s LYS 70 N -3.98 0.67 -0.21 -0.62 2.20 -0.96 -1.85 119.74 114.98 5ttr s LYS 70 Ca 0.39 -0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.74 5ttr s LYS 70 Cb -0.10 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 5ttr s LYS 70 CO 0.33 -0.48 0.09 0.14 -0.36 0.00 0.00 175.35 175.07 5ttr s VAL 71 N 1.91 4.84 -0.16 4.02 -7.23 0.11 -2.26 120.40 121.64 5ttr s VAL 71 Ca 0.02 -0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 5ttr s VAL 71 Cb -0.15 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.57 5ttr s VAL 71 CO -0.07 0.40 -0.13 -1.83 -0.31 0.00 0.00 175.10 173.16 5ttr s GLU 72 N 0.81 3.28 -0.20 4.82 -1.05 0.87 -0.79 118.70 126.43 5ttr s GLU 72 Ca 0.05 -0.72 -0.08 0.00 -0.15 0.00 0.00 54.97 54.07 5ttr s GLU 72 Cb -0.13 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 5ttr s GLU 72 CO 0.02 0.03 0.09 0.42 0.95 0.00 0.00 175.26 176.77 5ttr s ILE 73 N 0.81 4.88 -1.04 1.83 1.09 0.76 -1.55 121.20 127.97 5ttr s ILE 73 Ca -0.05 0.01 -0.19 0.00 -1.10 0.00 0.00 60.65 59.32 5ttr s ILE 73 Cb -0.15 -3.23 0.11 0.00 -1.06 0.00 0.00 42.46 38.13 5ttr s ILE 73 CO 0.00 0.42 1.33 -0.62 -0.10 0.00 0.00 174.94 175.98 5ttr s ASP 74 N 0.66 6.70 -0.05 3.58 -1.08 -0.78 -1.48 116.67 124.22 5ttr s ASP 74 Ca 0.05 -2.12 -0.22 0.00 -0.52 0.00 0.00 52.55 49.73 5ttr s ASP 74 Cb -0.13 -2.46 -0.17 0.00 -1.46 0.00 0.00 42.92 38.70 5ttr s ASP 74 CO 0.01 -1.12 0.94 0.71 0.52 0.00 0.00 175.17 176.23 5ttr h THR 75 N 5.82 1.00 -0.86 1.71 1.35 -1.89 -3.27 112.91 116.76 5ttr h THR 75 Ca 0.23 -1.19 0.18 0.00 -0.55 0.00 0.00 66.41 65.07 5ttr h THR 75 Cb 0.98 1.67 -0.11 0.00 -1.73 0.00 0.00 68.15 68.95 5ttr h THR 75 CO 1.25 0.25 0.41 0.50 -0.25 0.00 0.00 175.52 177.68 5ttr h LYS 76 N -0.80 0.51 -0.57 4.72 3.64 -1.69 0.68 116.57 123.05 5ttr h LYS 76 Ca -0.02 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 5ttr h LYS 76 Cb 0.55 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 5ttr h LYS 76 CO 0.03 0.33 -0.00 0.77 -2.27 0.00 0.00 179.45 178.31 5ttr h SER 77 N 0.52 0.97 -0.42 4.20 0.02 -1.87 0.19 113.55 117.15 5ttr h SER 77 Ca 0.50 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 5ttr h SER 77 Cb 0.81 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 5ttr h SER 77 CO -0.43 1.02 0.08 0.22 -1.14 0.00 0.00 176.83 176.58 5ttr h TYR 78 N 0.91 0.74 0.06 3.45 3.20 0.28 -1.86 116.97 123.74 5ttr h TYR 78 Ca 0.16 -0.10 -0.24 0.00 3.14 0.00 0.00 58.73 61.70 5ttr h TYR 78 Cb 0.54 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 5ttr h TYR 78 CO 0.03 0.71 -1.08 -1.49 -1.64 0.00 0.00 178.16 174.69 5ttr h TRP 79 N 0.55 0.30 -0.39 -3.82 4.06 -1.29 -3.31 115.95 112.06 5ttr h TRP 79 Ca 0.13 -0.21 -0.12 0.00 2.06 0.00 0.00 58.89 60.75 5ttr h TRP 79 Cb 0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 5ttr h TRP 79 CO 0.02 1.13 -0.25 0.87 -3.56 0.00 0.00 178.44 176.65 5ttr h LYS 80 N 0.06 0.80 0.00 0.49 1.57 -0.60 -1.78 116.57 117.11 5ttr h LYS 80 Ca -0.08 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 5ttr h LYS 80 Cb 1.80 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.08 5ttr h LYS 80 CO 0.17 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 180.01 5ttr n ALA 81 N -2.51 1.81 0.23 3.86 0.00 -0.71 -1.82 120.51 121.36 5ttr n ALA 81 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.42 5ttr n ALA 81 Cb 0.46 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.76 5ttr n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 5ttr n LEU 82 N -1.25 2.10 0.00 0.00 4.32 -1.03 -4.96 117.00 116.18 5ttr n LEU 82 Ca 0.07 -1.31 0.00 0.00 -0.02 0.00 0.00 56.01 54.75 5ttr n LEU 82 Cb 0.10 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 5ttr n LEU 82 CO 0.10 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 5ttr n GLY 83 N 0.48 1.10 3.86 -0.72 0.00 -0.76 -5.07 105.19 104.08 5ttr n GLY 83 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 5ttr n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 5ttr s ILE 84 N -2.13 5.29 -0.42 -0.61 1.10 -0.70 -4.98 121.20 118.75 5ttr s ILE 84 Ca 0.00 0.49 -0.09 0.00 -0.51 0.00 0.00 60.65 60.54 5ttr s ILE 84 Cb 0.00 -3.54 0.08 0.00 0.15 0.00 0.00 42.46 39.15 5ttr s ILE 84 CO 0.00 0.60 0.27 -0.55 -2.11 0.00 0.00 174.94 173.15 5ttr s SER 85 N -1.04 5.66 0.69 4.50 0.15 -1.26 -2.42 113.70 119.98 5ttr s SER 85 Ca 0.19 -1.53 -0.11 0.00 0.70 0.00 0.00 55.95 55.20 5ttr s SER 85 Cb -0.14 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 5ttr s SER 85 CO 0.08 -0.55 1.06 -2.16 1.20 0.00 0.00 173.24 172.87 5ttr s PRO 86 N 1.43 2.99 -0.09 5.44 0.04 -1.26 -5.00 135.00 138.55 5ttr s PRO 86 Ca 0.03 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 5ttr s PRO 86 Cb -0.23 -2.01 -0.27 0.00 0.04 0.00 0.00 34.50 32.03 5ttr s PRO 86 CO 0.02 -1.03 0.87 0.35 0.04 0.00 0.00 177.00 177.25 5ttr h PHE 87 N -0.66 0.24 -3.18 0.56 3.57 -1.84 -3.46 116.94 112.16 5ttr h PHE 87 Ca -0.44 -0.16 -0.58 0.00 3.53 0.00 0.00 57.97 60.31 5ttr h PHE 87 Cb 1.22 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 5ttr h PHE 87 CO 0.60 1.09 -0.19 -1.01 -2.23 0.00 0.00 178.31 176.57 5ttr s HIS 88 N -2.48 3.60 0.25 0.41 0.09 -1.26 -4.97 115.29 110.92 5ttr s HIS 88 Ca -0.16 0.89 -0.02 0.00 -0.00 0.00 0.00 55.06 55.76 5ttr s HIS 88 Cb -0.01 -2.24 0.29 0.00 -0.00 0.00 0.00 32.58 30.63 5ttr s HIS 88 CO 0.75 0.49 1.70 0.93 -0.00 0.00 0.00 174.74 178.62 5ttr h GLU 89 N 3.70 0.73 0.00 1.40 4.39 -1.98 -3.34 114.58 119.49 5ttr h GLU 89 Ca -0.49 -0.24 0.35 0.00 0.34 0.00 0.00 59.36 59.32 5ttr h GLU 89 Cb 1.19 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 5ttr h GLU 89 CO 0.66 0.83 0.92 -2.39 -1.16 0.00 0.00 179.01 177.86 5ttr n HIS 90 N -4.16 -0.34 -4.84 4.33 1.44 -1.26 -3.73 115.22 106.65 5ttr n HIS 90 Ca 0.01 -0.70 -0.33 0.00 -2.01 0.00 0.00 57.72 54.70 5ttr n HIS 90 Cb 0.37 0.31 -0.13 0.00 0.12 0.00 0.00 29.99 30.66 5ttr n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 5ttr s ALA 91 N -2.01 2.67 -0.00 1.59 0.00 -0.55 -4.92 121.76 118.55 5ttr s ALA 91 Ca 0.30 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.35 5ttr s ALA 91 Cb -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 5ttr s ALA 91 CO -0.01 0.47 -0.11 -2.00 0.00 0.00 0.00 175.76 174.11 5ttr s GLU 92 N -0.43 0.90 -0.25 0.00 2.12 -1.26 -0.17 118.70 119.61 5ttr s GLU 92 Ca 0.05 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 54.96 5ttr s GLU 92 Cb -0.12 -0.87 0.05 0.00 0.26 0.00 0.00 34.13 33.45 5ttr s GLU 92 CO 0.02 0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.93 5ttr s VAL 93 N -0.36 2.16 -0.26 3.70 1.01 0.03 -4.93 120.40 121.75 5ttr s VAL 93 Ca 0.04 -1.54 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 5ttr s VAL 93 Cb -0.05 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 5ttr s VAL 93 CO -0.00 0.05 0.12 -0.69 0.00 0.00 0.00 175.10 174.58 5ttr s VAL 94 N 1.13 4.72 0.12 2.92 1.01 -1.26 0.10 120.40 129.14 5ttr s VAL 94 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 5ttr s VAL 94 Cb -0.19 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.98 5ttr s VAL 94 CO -0.06 0.30 0.33 0.72 0.00 0.00 0.00 175.10 176.38 5ttr s PHE 95 N 1.67 -0.02 -0.23 5.22 -0.71 -0.77 -4.99 117.98 118.15 5ttr s PHE 95 Ca 0.07 -0.34 -0.17 0.00 -1.04 0.00 0.00 56.93 55.44 5ttr s PHE 95 Cb -0.15 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 5ttr s PHE 95 CO 0.07 -0.66 0.48 0.99 -1.34 0.00 0.00 175.22 174.75 5ttr s THR 96 N -3.84 5.12 0.00 -4.49 2.01 -1.26 0.32 115.64 113.49 5ttr s THR 96 Ca 0.05 0.83 0.04 0.00 0.31 0.00 0.00 61.69 62.92 5ttr s THR 96 Cb 0.03 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 5ttr s THR 96 CO -0.10 0.16 -0.09 0.00 -0.69 0.00 0.00 174.62 173.89 5ttr s ALA 97 N 1.87 2.91 -2.08 7.40 0.00 0.45 -4.64 121.76 127.66 5ttr s ALA 97 Ca 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.13 5ttr s ALA 97 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.92 5ttr s ALA 97 CO 0.09 0.60 0.00 0.09 0.00 0.00 0.00 175.76 176.54 5ttr n ASN 98 N 1.66 -5.23 -0.04 0.00 3.02 -1.26 -1.87 115.26 111.55 5ttr n ASN 98 Ca -0.16 0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 54.75 5ttr n ASN 98 Cb 0.52 -4.63 0.02 0.00 -0.61 0.00 0.00 39.78 35.09 5ttr n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 5ttr h ASP 99 N 0.00 0.77 -0.23 6.41 2.03 -1.90 -2.83 116.42 120.66 5ttr h ASP 99 Ca -0.41 -0.39 -0.01 0.00 -0.73 0.00 0.00 57.03 55.49 5ttr h ASP 99 Cb 1.29 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 5ttr h ASP 99 CO 0.59 1.14 0.02 -1.20 -1.03 0.00 0.00 179.24 178.75 5ttr n SER 100 N -3.99 2.87 0.00 4.15 7.64 -1.26 -4.96 113.62 118.08 5ttr n SER 100 Ca -0.03 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.47 5ttr n SER 100 Cb 0.59 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 5ttr n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5ttr n GLY 101 N 0.22 2.69 3.74 0.23 0.00 -1.07 -5.04 105.19 105.96 5ttr n GLY 101 Ca 0.12 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 5ttr n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 5ttr s PRO 102 N -2.62 4.36 0.23 1.61 0.02 -1.26 -4.38 135.00 132.96 5ttr s PRO 102 Ca 0.00 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.12 5ttr s PRO 102 Cb 0.00 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 5ttr s PRO 102 CO 0.00 -0.29 0.09 1.03 -0.33 0.00 0.00 177.00 177.49 5ttr s ARG 103 N -0.03 1.29 -0.26 5.54 0.52 -1.26 -4.27 118.95 120.47 5ttr s ARG 103 Ca 0.58 -1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.03 5ttr s ARG 103 Cb -0.37 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 5ttr s ARG 103 CO 0.38 -0.29 0.09 1.03 0.02 0.00 0.00 175.30 176.53 5ttr s ARG 104 N -4.05 3.59 -0.13 3.54 1.81 0.39 -4.86 118.95 119.24 5ttr s ARG 104 Ca 0.35 -0.53 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 5ttr s ARG 104 Cb 0.07 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.14 5ttr s ARG 104 CO 0.11 -0.24 0.06 0.71 -0.68 0.00 0.00 175.30 175.26 5ttr s TYR 105 N 1.62 3.30 -0.14 -0.53 2.02 0.29 -1.33 117.35 122.59 5ttr s TYR 105 Ca 0.06 0.23 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 5ttr s TYR 105 Cb -0.16 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.47 5ttr s TYR 105 CO 0.05 0.43 -0.17 0.99 -1.57 0.00 0.00 175.55 175.27 5ttr s THR 106 N -0.48 2.55 -0.17 -0.71 2.01 -0.85 -0.41 115.64 117.58 5ttr s THR 106 Ca 0.10 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 5ttr s THR 106 Cb -0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 5ttr s THR 106 CO 0.02 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.75 5ttr s ILE 107 N 0.61 3.15 -0.17 1.82 1.01 0.10 -1.77 121.20 125.95 5ttr s ILE 107 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 5ttr s ILE 107 Cb -0.16 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 5ttr s ILE 107 CO 0.03 0.49 -0.01 0.00 0.00 0.00 0.00 174.94 175.45 5ttr s ALA 108 N 0.82 3.09 -0.06 9.38 0.00 -0.79 0.16 121.76 134.36 5ttr s ALA 108 Ca -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.15 5ttr s ALA 108 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 5ttr s ALA 108 CO 0.01 0.13 -0.25 0.00 0.00 0.00 0.00 175.76 175.65 5ttr s ALA 109 N 0.49 2.15 -0.25 0.00 0.00 -0.83 -2.03 121.76 121.29 5ttr s ALA 109 Ca -0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 5ttr s ALA 109 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.30 5ttr s ALA 109 CO 0.02 0.39 -0.03 -1.17 0.00 0.00 0.00 175.76 174.97 5ttr s LEU 110 N -0.07 3.20 0.10 0.00 2.96 -0.68 -0.92 118.68 123.27 5ttr s LEU 110 Ca -0.06 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 5ttr s LEU 110 Cb -0.14 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 5ttr s LEU 110 CO 0.05 -0.10 0.30 -0.76 -1.32 0.00 0.00 176.35 174.51 5ttr s LEU 111 N 1.41 4.31 0.12 -0.68 1.43 0.70 -2.90 118.68 123.07 5ttr s LEU 111 Ca 0.02 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 5ttr s LEU 111 Cb -0.16 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.96 5ttr s LEU 111 CO -0.03 0.11 0.37 -0.44 0.23 0.00 0.00 176.35 176.60 5ttr s SER 112 N -2.45 -0.19 0.16 2.29 0.01 -1.00 -1.95 113.70 110.57 5ttr s SER 112 Ca 0.38 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 5ttr s SER 112 Cb -0.13 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 5ttr s SER 112 CO 0.26 -0.84 1.54 -0.65 0.41 0.00 0.00 173.24 173.97 5ttr h PRO 113 N 2.41 -0.11 -0.59 12.44 0.11 -1.99 -2.92 132.00 141.36 5ttr h PRO 113 Ca -0.34 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 5ttr h PRO 113 Cb 1.25 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 5ttr h PRO 113 CO 0.48 -0.07 0.00 0.66 -0.21 0.00 0.00 178.00 178.86 5ttr n TYR 114 N -5.31 1.24 -3.82 0.65 4.02 -1.26 -2.48 117.16 110.20 5ttr n TYR 114 Ca 0.01 -0.61 -0.10 0.00 -0.01 0.00 0.00 57.90 57.20 5ttr n TYR 114 Cb 0.30 -0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 5ttr n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 5ttr s SER 115 N -1.03 -0.10 -0.11 7.72 1.04 -1.10 -4.94 113.70 115.18 5ttr s SER 115 Ca 0.46 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 5ttr s SER 115 Cb 0.29 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.97 5ttr s SER 115 CO 0.23 -0.93 0.70 -0.72 0.98 0.00 0.00 173.24 173.50 5ttr s TYR 116 N -3.90 -0.68 0.02 5.02 -0.85 -1.26 -2.37 117.35 113.33 5ttr s TYR 116 Ca 0.11 1.31 0.08 0.00 -0.52 0.00 0.00 57.07 58.05 5ttr s TYR 116 Cb 0.02 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 5ttr s TYR 116 CO -0.04 -0.54 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.09 5ttr s SER 117 N -0.80 2.76 -0.00 -0.18 0.01 -1.14 -4.97 113.70 109.38 5ttr s SER 117 Ca -0.08 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.72 5ttr s SER 117 Cb -0.01 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 5ttr s SER 117 CO 0.07 0.23 -0.16 0.42 0.41 0.00 0.00 173.24 174.22 5ttr s THR 118 N -0.71 1.27 -0.01 1.44 -4.23 -1.26 -1.69 115.64 110.46 5ttr s THR 118 Ca 0.09 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 5ttr s THR 118 Cb -0.09 -1.08 0.01 0.00 1.34 0.00 0.00 72.50 72.68 5ttr s THR 118 CO 0.01 0.30 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.47 5ttr s THR 119 N -0.47 0.26 0.02 3.99 2.01 -0.86 -4.99 115.64 115.61 5ttr s THR 119 Ca 0.06 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.01 5ttr s THR 119 Cb -0.07 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 5ttr s THR 119 CO -0.00 0.11 -0.01 0.00 -0.69 0.00 0.00 174.62 174.02 5ttr s ALA 120 N 0.32 3.23 -0.22 7.40 0.00 -1.26 -1.88 121.76 129.35 5ttr s ALA 120 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.93 5ttr s ALA 120 Cb -0.06 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.86 5ttr s ALA 120 CO -0.01 0.65 -0.06 0.08 0.00 0.00 0.00 175.76 176.43 5ttr s VAL 121 N -1.12 1.51 -0.10 0.00 1.01 -0.73 -4.99 120.40 115.98 5ttr s VAL 121 Ca 0.20 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 5ttr s VAL 121 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 5ttr s VAL 121 CO 0.11 -0.04 0.08 -0.69 0.00 0.00 0.00 175.10 174.57 5ttr s VAL 122 N 1.42 5.00 -0.00 2.92 1.01 -1.26 -2.00 120.40 127.49 5ttr s VAL 122 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.93 5ttr s VAL 122 Cb -0.18 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 5ttr s VAL 122 CO -0.07 0.59 -0.01 -0.89 0.00 0.00 0.00 175.10 174.73 5ttr s THR 123 N -0.99 0.07 0.27 3.92 2.01 -0.44 -4.98 115.64 115.50 5ttr s THR 123 Ca 0.15 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 5ttr s THR 123 Cb -0.12 -0.07 -0.09 0.00 0.01 0.00 0.00 72.50 72.24 5ttr s THR 123 CO 0.04 0.02 0.76 0.21 -0.69 0.00 0.00 174.62 174.96 5ttr s ASN 124 N -0.03 7.01 0.00 3.53 2.47 -1.26 -0.46 114.94 126.19 5ttr s ASN 124 Ca 0.00 1.44 0.16 0.00 0.42 0.00 0.00 52.86 54.88 5ttr s ASN 124 Cb -0.00 -2.43 0.94 0.00 -1.45 0.00 0.00 41.25 38.30 5ttr s ASN 124 CO -0.00 -0.06 1.35 -2.65 -3.72 0.00 0.00 177.10 172.02