#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttr s LYS 9 N 0.00 4.26 -0.48 1.43 2.36 -1.26 -4.98 119.74 121.07 1ttr s LYS 9 Ca 0.00 1.26 -0.18 0.00 -2.55 0.00 0.00 55.97 54.50 1ttr s LYS 9 Cb 0.00 -3.63 0.05 0.00 -1.05 0.00 0.00 37.83 33.20 1ttr s LYS 9 CO 0.00 -0.57 0.55 0.00 1.55 0.00 0.00 175.35 176.88 1ttr h PRO 11 N 8.89 0.00 -3.25 0.00 0.11 -1.87 -3.43 132.00 132.46 1ttr h PRO 11 Ca -0.27 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.54 1ttr h PRO 11 Cb 1.10 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.86 1ttr h PRO 11 CO 0.91 0.15 -0.66 -1.17 -0.21 0.00 0.00 178.00 177.02 1ttr s LEU 12 N -7.46 0.39 0.06 2.35 2.96 -1.26 0.05 118.68 115.78 1ttr s LEU 12 Ca -0.03 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 1ttr s LEU 12 Cb 0.13 0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.96 1ttr s LEU 12 CO 0.61 -0.20 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.98 1ttr s MET 13 N 1.74 0.82 -0.03 1.98 -2.45 0.20 -4.42 119.30 117.14 1ttr s MET 13 Ca -0.02 -0.91 0.07 0.00 -1.25 0.00 0.00 55.69 53.57 1ttr s MET 13 Cb -0.12 -0.82 -0.01 0.00 1.25 0.00 0.00 34.83 35.13 1ttr s MET 13 CO -0.05 0.18 -0.24 0.08 1.05 0.00 0.00 175.02 176.05 1ttr s VAL 14 N -1.21 1.91 -0.06 10.11 1.01 -0.98 -0.61 120.40 130.57 1ttr s VAL 14 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1ttr s VAL 14 Cb -0.10 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1ttr s VAL 14 CO 0.02 0.54 -0.06 -0.75 0.00 0.00 0.00 175.10 174.85 1ttr s LYS 15 N -0.39 1.10 -0.11 2.72 2.47 -0.30 -1.56 119.74 123.67 1ttr s LYS 15 Ca 0.04 -0.16 0.03 0.00 -1.56 0.00 0.00 55.97 54.32 1ttr s LYS 15 Cb -0.11 -1.11 0.01 0.00 -1.46 0.00 0.00 37.83 35.16 1ttr s LYS 15 CO 0.01 -0.12 -0.21 0.08 0.16 0.00 0.00 175.35 175.26 1ttr s VAL 16 N 1.16 1.89 0.19 4.02 1.01 0.07 -0.99 120.40 127.76 1ttr s VAL 16 Ca -0.07 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.12 1ttr s VAL 16 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1ttr s VAL 16 CO -0.01 0.52 -0.23 -0.76 0.00 0.00 0.00 175.10 174.62 1ttr s LEU 17 N 0.56 2.44 -0.26 3.92 1.43 0.15 -0.53 118.68 126.39 1ttr s LEU 17 Ca -0.14 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1ttr s LEU 17 Cb -0.17 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1ttr s LEU 17 CO 0.05 0.10 -0.00 -0.62 0.23 0.00 0.00 176.35 176.10 1ttr s ASP 18 N -2.70 4.63 0.12 2.29 -1.08 0.57 -1.46 116.67 119.04 1ttr s ASP 18 Ca 0.20 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 51.83 1ttr s ASP 18 Cb -0.08 -1.77 0.85 0.00 -1.46 0.00 0.00 42.92 40.47 1ttr s ASP 18 CO 0.10 -0.12 1.73 0.00 0.52 0.00 0.00 175.17 177.40 1ttr n ALA 19 N 4.78 2.47 0.07 3.66 0.00 -0.38 -1.13 120.51 129.98 1ttr n ALA 19 Ca -0.16 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1ttr n ALA 19 Cb 0.48 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 1ttr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttr h VAL 20 N 0.00 1.18 -0.01 0.00 2.07 -1.95 -3.39 116.25 114.16 1ttr h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1ttr h VAL 20 Cb 0.65 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1ttr h VAL 20 CO 0.00 0.77 -0.63 0.54 0.02 0.00 0.00 177.57 178.27 1ttr n ARG 21 N -3.84 1.16 -3.08 1.57 1.74 -1.24 -5.00 116.66 107.96 1ttr n ARG 21 Ca -0.20 -0.49 -0.13 0.00 -0.77 0.00 0.00 57.85 56.26 1ttr n ARG 21 Cb 0.98 -1.38 0.04 0.00 -1.02 0.00 0.00 32.46 31.08 1ttr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttr n GLY 22 N 1.37 0.11 3.43 -0.13 0.00 -0.28 -5.03 105.19 104.66 1ttr n GLY 22 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1ttr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ttr s SER 23 N -3.23 0.13 0.61 1.61 1.04 -1.10 -5.00 113.70 107.77 1ttr s SER 23 Ca 0.30 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 1ttr s SER 23 Cb -0.13 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1ttr s SER 23 CO 0.41 -1.04 1.20 -2.84 0.98 0.00 0.00 173.24 171.94 1ttr s PRO 24 N -3.96 2.86 -0.52 4.02 0.02 -1.26 -0.31 135.00 135.84 1ttr s PRO 24 Ca 0.30 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 62.91 1ttr s PRO 24 Cb 0.02 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1ttr s PRO 24 CO 0.12 -1.28 0.66 0.00 -0.33 0.00 0.00 177.00 176.16 1ttr s ALA 25 N -1.70 3.38 0.00 -1.55 0.00 0.31 -4.56 121.76 117.63 1ttr s ALA 25 Ca 0.76 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1ttr s ALA 25 Cb -0.29 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1ttr s ALA 25 CO 0.35 -2.09 0.47 0.42 0.00 0.00 0.00 175.76 174.91 1ttr s ILE 26 N 2.72 4.97 -1.20 0.00 1.01 -1.26 -4.28 121.20 123.16 1ttr s ILE 26 Ca 0.15 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1ttr s ILE 26 Cb -0.20 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1ttr s ILE 26 CO 0.11 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.18 1ttr n ASN 27 N 2.08 -4.22 -4.73 3.58 4.13 -0.02 -4.92 115.26 111.16 1ttr n ASN 27 Ca -0.12 0.11 -0.40 0.00 1.68 0.00 0.00 54.58 55.84 1ttr n ASN 27 Cb 0.52 -3.21 -0.05 0.00 -1.54 0.00 0.00 39.78 35.50 1ttr n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ttr s VAL 28 N -2.58 4.75 0.23 2.41 1.01 -1.26 -4.70 120.40 120.25 1ttr s VAL 28 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1ttr s VAL 28 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1ttr s VAL 28 CO 0.00 0.31 1.02 0.00 0.00 0.00 0.00 175.10 176.43 1ttr s ALA 29 N 0.23 3.36 -0.05 5.51 0.00 -1.26 -1.54 121.76 128.02 1ttr s ALA 29 Ca 0.42 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.13 1ttr s ALA 29 Cb -0.21 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ttr s ALA 29 CO 0.25 0.00 -0.07 0.08 0.00 0.00 0.00 175.76 176.01 1ttr s VAL 30 N -0.90 0.74 -0.09 0.00 1.01 -0.30 -0.78 120.40 120.09 1ttr s VAL 30 Ca 0.44 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1ttr s VAL 30 Cb -0.28 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1ttr s VAL 30 CO 0.35 0.26 -0.24 -1.00 0.00 0.00 0.00 175.10 174.48 1ttr s HIS 31 N 0.73 2.51 -0.10 5.22 3.76 0.04 -1.96 115.29 125.50 1ttr s HIS 31 Ca -0.12 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 53.79 1ttr s HIS 31 Cb -0.14 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1ttr s HIS 31 CO 0.01 -0.39 -0.04 0.08 -0.85 0.00 0.00 174.74 173.56 1ttr s VAL 32 N 0.27 3.96 0.15 -0.90 1.01 0.88 -0.37 120.40 125.40 1ttr s VAL 32 Ca -0.17 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1ttr s VAL 32 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ttr s VAL 32 CO 0.08 0.57 -0.16 -0.36 0.00 0.00 0.00 175.10 175.23 1ttr s PHE 33 N -0.45 1.62 -0.11 5.22 0.40 0.37 -0.85 117.98 124.18 1ttr s PHE 33 Ca 0.07 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1ttr s PHE 33 Cb -0.12 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 1ttr s PHE 33 CO 0.02 0.25 -0.20 0.50 0.70 0.00 0.00 175.22 176.49 1ttr s ARG 34 N -2.82 3.18 -0.14 0.44 3.52 -0.35 -0.79 118.95 121.98 1ttr s ARG 34 Ca 0.13 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1ttr s ARG 34 Cb -0.05 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1ttr s ARG 34 CO 0.05 0.18 1.53 0.21 -0.81 0.00 0.00 175.30 176.47 1ttr s LYS 35 N 0.37 4.07 0.68 5.12 2.20 -0.17 -1.51 119.74 130.51 1ttr s LYS 35 Ca -0.15 1.87 -0.05 0.00 -0.36 0.00 0.00 55.97 57.28 1ttr s LYS 35 Cb -0.17 -3.94 0.06 0.00 -1.51 0.00 0.00 37.83 32.26 1ttr s LYS 35 CO 0.07 -0.96 0.97 0.00 -0.36 0.00 0.00 175.35 175.08 1ttr s ALA 36 N 4.27 3.28 0.22 3.13 0.00 0.21 -4.76 121.76 128.12 1ttr s ALA 36 Ca 0.68 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 1ttr s ALA 36 Cb -0.27 -2.51 0.24 0.00 0.00 0.00 0.00 23.12 20.58 1ttr s ALA 36 CO 0.25 -1.21 1.59 0.00 0.00 0.00 0.00 175.76 176.39 1ttr h ALA 37 N -0.49 0.27 0.00 0.00 0.00 -1.94 0.28 119.26 117.38 1ttr h ALA 37 Ca -0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ttr h ALA 37 Cb 1.31 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1ttr h ALA 37 CO 0.59 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 1ttr n ASP 38 N -5.48 0.00 -1.12 0.00 5.68 -1.26 -4.77 116.55 109.60 1ttr n ASP 38 Ca 0.08 -0.29 -0.10 0.00 -0.50 0.00 0.00 54.79 53.98 1ttr n ASP 38 Cb 0.38 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.36 1ttr n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ttr n ASP 39 N -0.92 -3.42 -4.66 -1.12 2.03 0.97 -5.02 116.55 104.41 1ttr n ASP 39 Ca 0.05 0.01 -0.25 0.00 0.52 0.00 0.00 54.79 55.12 1ttr n ASP 39 Cb 0.02 -2.63 -0.08 0.00 -0.72 0.00 0.00 41.12 37.72 1ttr n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ttr s THR 40 N -2.49 2.60 -0.27 5.18 -4.23 -1.22 -4.86 115.64 110.34 1ttr s THR 40 Ca 0.00 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 1ttr s THR 40 Cb 0.00 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1ttr s THR 40 CO 0.00 -0.16 0.41 0.26 -0.54 0.00 0.00 174.62 174.59 1ttr s TRP 41 N -2.53 3.25 -0.17 3.99 0.52 -1.26 0.67 118.94 123.41 1ttr s TRP 41 Ca 0.36 0.44 -0.10 0.00 0.02 0.00 0.00 56.10 56.82 1ttr s TRP 41 Cb 0.01 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 1ttr s TRP 41 CO 0.20 -0.26 0.16 -1.21 0.02 0.00 0.00 176.95 175.86 1ttr s GLU 42 N 2.14 4.03 0.28 4.98 0.41 -0.57 -4.91 118.70 125.07 1ttr s GLU 42 Ca 0.17 -0.14 -0.29 0.00 -0.41 0.00 0.00 54.97 54.30 1ttr s GLU 42 Cb -0.16 -3.37 -0.14 0.00 -1.78 0.00 0.00 34.13 28.69 1ttr s GLU 42 CO 0.10 0.41 1.19 -2.30 -0.49 0.00 0.00 175.26 174.17 1ttr n PRO 43 N 3.15 1.71 0.00 0.39 -0.02 -1.26 -1.22 135.00 137.75 1ttr n PRO 43 Ca -0.16 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1ttr n PRO 43 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1ttr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ttr n PHE 44 N 0.75 0.00 -3.47 6.00 7.35 -0.03 -4.74 117.46 123.31 1ttr n PHE 44 Ca 0.09 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 1ttr n PHE 44 Cb 0.32 0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1ttr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ttr s ALA 45 N -1.97 -1.54 0.14 3.13 0.00 -1.05 -5.00 121.76 115.48 1ttr s ALA 45 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 1ttr s ALA 45 Cb 0.00 0.88 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1ttr s ALA 45 CO 0.00 -0.80 0.81 -1.54 0.00 0.00 0.00 175.76 174.24 1ttr s SER 46 N -2.77 -0.32 0.00 0.00 1.04 -1.26 -0.08 113.70 110.30 1ttr s SER 46 Ca 0.02 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ttr s SER 46 Cb -0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ttr s SER 46 CO -0.11 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1ttr n GLY 47 N -0.39 -1.27 3.15 7.32 0.00 -0.83 -5.02 105.19 108.16 1ttr n GLY 47 Ca -0.09 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1ttr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttr s LYS 48 N -0.52 1.83 0.55 1.61 1.02 -1.26 -1.14 119.74 121.81 1ttr s LYS 48 Ca 0.00 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.15 1ttr s LYS 48 Cb 0.00 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1ttr s LYS 48 CO 0.00 0.26 1.28 0.95 -0.92 0.00 0.00 175.35 176.92 1ttr s THR 49 N 0.00 2.43 0.12 2.17 -4.23 -0.59 -4.81 115.64 110.74 1ttr s THR 49 Ca -0.03 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1ttr s THR 49 Cb -0.11 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.61 1ttr s THR 49 CO 0.02 -0.02 0.17 -1.54 -0.54 0.00 0.00 174.62 172.71 1ttr n SER 50 N -1.10 0.00 0.28 3.99 3.41 0.20 -0.84 113.62 119.56 1ttr n SER 50 Ca 0.11 -1.06 0.19 0.00 -0.26 0.00 0.00 58.87 57.85 1ttr n SER 50 Cb 0.47 -0.13 0.89 0.00 -0.26 0.00 0.00 64.21 65.19 1ttr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ttr h GLU 51 N 0.00 0.00 -0.72 4.33 5.08 -1.94 -0.37 114.58 120.96 1ttr h GLU 51 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ttr h GLU 51 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ttr h GLU 51 CO 0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 1ttr n SER 52 N -2.91 4.04 -0.84 1.42 3.41 -1.26 -4.82 113.62 112.67 1ttr n SER 52 Ca -0.01 -2.08 -0.09 0.00 -0.26 0.00 0.00 58.87 56.42 1ttr n SER 52 Cb 0.16 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1ttr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ttr n GLY 53 N 1.56 0.72 3.53 5.00 0.00 -0.15 -4.80 105.19 111.05 1ttr n GLY 53 Ca 0.25 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1ttr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ttr s GLU 54 N -3.37 1.91 -0.14 1.61 2.02 -1.26 -0.75 118.70 118.73 1ttr s GLU 54 Ca 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.55 1ttr s GLU 54 Cb 0.00 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.24 1ttr s GLU 54 CO 0.00 0.41 0.08 -1.17 0.02 0.00 0.00 175.26 174.60 1ttr s LEU 55 N -2.96 0.30 0.44 1.80 2.96 -0.60 -0.63 118.68 119.99 1ttr s LEU 55 Ca 0.25 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1ttr s LEU 55 Cb -0.08 -0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 1ttr s LEU 55 CO 0.14 -0.33 0.09 -1.00 -1.32 0.00 0.00 176.35 173.94 1ttr s HIS 56 N 2.14 2.37 -1.46 5.38 3.76 -1.26 -2.31 115.29 123.91 1ttr s HIS 56 Ca 0.03 -0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 54.18 1ttr s HIS 56 Cb -0.15 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1ttr s HIS 56 CO -0.08 0.26 0.60 0.41 -0.85 0.00 0.00 174.74 175.08 1ttr n GLY 57 N -1.16 -0.44 0.15 -2.22 0.00 -1.26 -4.91 105.19 95.34 1ttr n GLY 57 Ca -0.06 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ttr n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ttr h LEU 58 N -1.36 0.45 0.00 0.99 3.38 -1.87 -3.48 115.31 113.42 1ttr h LEU 58 Ca -0.50 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 56.95 1ttr h LEU 58 Cb 1.34 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1ttr h LEU 58 CO 0.53 1.14 0.06 1.07 0.09 0.00 0.00 178.44 181.34 1ttr n THR 59 N -3.73 0.00 -4.52 0.22 5.66 -1.26 -4.74 114.28 105.91 1ttr n THR 59 Ca -0.06 -1.42 -0.25 0.00 -3.05 0.00 0.00 64.05 59.28 1ttr n THR 59 Cb 0.81 1.06 -0.10 0.00 -1.55 0.00 0.00 70.33 70.54 1ttr n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ttr s THR 60 N -2.47 2.11 0.36 1.09 -4.23 -1.26 -4.61 115.64 106.63 1ttr s THR 60 Ca 0.23 -2.19 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1ttr s THR 60 Cb -0.03 -2.60 0.28 0.00 1.34 0.00 0.00 72.50 71.49 1ttr s THR 60 CO 0.17 -0.23 2.00 -0.33 -0.54 0.00 0.00 174.62 175.68 1ttr h GLU 61 N 2.08 0.77 -0.28 3.99 5.08 -1.93 -1.01 114.58 123.29 1ttr h GLU 61 Ca -0.41 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1ttr h GLU 61 Cb 1.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1ttr h GLU 61 CO 0.69 0.51 -0.29 1.49 -1.00 0.00 0.00 179.01 180.41 1ttr h GLU 62 N 0.79 0.57 0.00 2.33 4.22 -1.98 -3.22 114.58 117.30 1ttr h GLU 62 Ca 0.26 -0.24 -0.16 0.00 0.08 0.00 0.00 59.36 59.29 1ttr h GLU 62 Cb 0.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ttr h GLU 62 CO -0.07 0.80 -1.20 1.49 -2.18 0.00 0.00 179.01 177.86 1ttr h GLU 63 N 0.49 0.00 -5.80 1.92 4.81 -1.89 -3.41 114.58 110.70 1ttr h GLU 63 Ca 0.06 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.61 1ttr h GLU 63 Cb 0.76 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 1ttr h GLU 63 CO 0.06 0.38 2.15 0.12 -0.73 0.00 0.00 179.01 180.99 1ttr s PHE 64 N -2.91 2.82 0.60 0.92 5.36 -0.41 -4.96 117.98 119.40 1ttr s PHE 64 Ca -0.01 -1.65 -0.02 0.00 -0.96 0.00 0.00 56.93 54.29 1ttr s PHE 64 Cb 0.08 -4.73 0.04 0.00 -0.34 0.00 0.00 43.02 38.07 1ttr s PHE 64 CO 0.80 -1.79 0.85 0.14 -1.46 0.00 0.00 175.22 173.76 1ttr s VAL 65 N 4.08 2.64 0.43 3.12 -7.23 -1.26 -4.95 120.40 117.23 1ttr s VAL 65 Ca 0.53 -0.50 -0.25 0.00 -1.81 0.00 0.00 61.98 59.95 1ttr s VAL 65 Cb 0.04 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.84 1ttr s VAL 65 CO 0.07 -0.03 1.32 -0.62 -0.31 0.00 0.00 175.10 175.53 1ttr n GLU 66 N -2.53 2.03 -3.82 4.82 1.02 -1.26 -4.86 120.64 116.04 1ttr n GLU 66 Ca 0.08 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1ttr n GLU 66 Cb 0.60 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1ttr n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ttr n GLY 67 N 0.74 -2.04 3.59 0.62 0.00 -1.09 -4.96 105.19 102.04 1ttr n GLY 67 Ca 0.06 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1ttr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttr s ILE 68 N -2.46 4.92 0.10 -0.61 1.01 -1.26 0.06 121.20 122.97 1ttr s ILE 68 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1ttr s ILE 68 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1ttr s ILE 68 CO 0.00 0.36 -0.22 -0.31 0.00 0.00 0.00 174.94 174.77 1ttr s TYR 69 N 1.12 2.45 -0.11 3.97 1.51 0.28 -0.99 117.35 125.57 1ttr s TYR 69 Ca 0.06 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1ttr s TYR 69 Cb -0.14 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1ttr s TYR 69 CO 0.04 0.33 -0.20 0.21 -1.11 0.00 0.00 175.55 174.81 1ttr s LYS 70 N -1.92 2.73 -0.26 -0.62 2.20 0.03 -1.08 119.74 120.82 1ttr s LYS 70 Ca 0.16 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.95 1ttr s LYS 70 Cb -0.10 -2.16 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1ttr s LYS 70 CO 0.07 0.06 0.04 0.08 -0.36 0.00 0.00 175.35 175.24 1ttr s VAL 71 N 0.63 3.86 -0.18 4.02 1.01 0.64 -0.48 120.40 129.91 1ttr s VAL 71 Ca -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1ttr s VAL 71 Cb -0.16 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ttr s VAL 71 CO 0.03 0.24 -0.11 -0.70 0.00 0.00 0.00 175.10 174.57 1ttr s GLU 72 N 1.52 3.29 -0.24 2.72 2.12 0.51 0.01 118.70 128.62 1ttr s GLU 72 Ca 0.04 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 1ttr s GLU 72 Cb -0.16 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1ttr s GLU 72 CO 0.01 -0.06 0.07 0.42 -0.54 0.00 0.00 175.26 175.15 1ttr s ILE 73 N 1.06 4.31 -1.14 -3.70 1.01 0.53 -0.78 121.20 122.50 1ttr s ILE 73 Ca -0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.26 1ttr s ILE 73 Cb -0.15 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.35 1ttr s ILE 73 CO -0.02 0.35 1.66 -0.62 0.00 0.00 0.00 174.94 176.31 1ttr s ASP 74 N 1.53 6.36 0.16 3.58 2.15 0.04 -1.70 116.67 128.80 1ttr s ASP 74 Ca 0.06 -1.80 0.04 0.00 0.43 0.00 0.00 52.55 51.28 1ttr s ASP 74 Cb -0.15 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 1ttr s ASP 74 CO 0.03 -1.65 1.37 0.71 -0.17 0.00 0.00 175.17 175.46 1ttr h THR 75 N 6.28 1.54 -0.25 1.71 1.35 -1.88 -3.23 112.91 118.43 1ttr h THR 75 Ca 0.29 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1ttr h THR 75 Cb 0.95 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 1ttr h THR 75 CO 1.40 0.81 0.16 0.50 -0.25 0.00 0.00 175.52 178.14 1ttr h LYS 76 N 0.06 0.33 -0.12 4.72 3.64 -1.73 -1.74 116.57 121.72 1ttr h LYS 76 Ca -0.04 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1ttr h LYS 76 Cb 1.55 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1ttr h LYS 76 CO 0.13 0.23 -0.16 0.77 -2.27 0.00 0.00 179.45 178.15 1ttr h SER 77 N 0.33 0.19 -0.28 4.20 0.02 -1.87 -1.45 113.55 114.68 1ttr h SER 77 Ca 0.09 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1ttr h SER 77 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1ttr h SER 77 CO -0.02 0.36 0.03 0.22 -1.14 0.00 0.00 176.83 176.28 1ttr h TYR 78 N 0.19 0.51 -0.29 3.45 3.20 -1.44 -2.48 116.97 120.11 1ttr h TYR 78 Ca 0.04 -0.08 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 1ttr h TYR 78 Cb 0.39 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1ttr h TYR 78 CO 0.00 0.60 -0.53 -1.49 -1.64 0.00 0.00 178.16 175.11 1ttr h TRP 79 N 0.28 1.09 -0.40 -3.82 4.06 -1.13 -3.00 115.95 113.03 1ttr h TRP 79 Ca 0.08 -0.39 0.05 0.00 2.06 0.00 0.00 58.89 60.70 1ttr h TRP 79 Cb 0.38 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 1ttr h TRP 79 CO 0.03 1.21 0.27 0.87 -3.56 0.00 0.00 178.44 177.26 1ttr h LYS 80 N 0.65 0.32 0.00 0.49 1.57 -1.26 -0.50 116.57 117.84 1ttr h LYS 80 Ca 0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ttr h LYS 80 Cb 1.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1ttr h LYS 80 CO 0.12 0.21 -0.18 0.00 -0.57 0.00 0.00 179.45 179.03 1ttr h ALA 81 N 1.78 1.06 -0.01 3.86 0.00 -1.30 -0.60 119.26 124.05 1ttr h ALA 81 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ttr h ALA 81 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ttr h ALA 81 CO -0.04 0.23 -0.33 1.28 0.00 0.00 0.00 179.25 180.39 1ttr n LEU 82 N -3.40 1.15 -0.36 0.00 4.32 -0.33 -4.94 117.00 113.43 1ttr n LEU 82 Ca -0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 56.01 55.63 1ttr n LEU 82 Cb 0.38 -0.11 -0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1ttr n LEU 82 CO 0.32 0.22 -0.04 0.61 -1.22 0.00 0.00 177.39 177.28 1ttr n GLY 83 N 1.37 0.29 3.27 -0.72 0.00 -0.23 -5.04 105.19 104.13 1ttr n GLY 83 Ca 0.11 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1ttr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttr s ILE 84 N -2.16 2.50 -0.24 -0.61 1.01 -0.44 -5.00 121.20 116.25 1ttr s ILE 84 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 1ttr s ILE 84 Cb 0.00 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1ttr s ILE 84 CO 0.00 0.54 1.02 -0.55 0.00 0.00 0.00 174.94 175.94 1ttr s SER 85 N 0.54 7.04 0.44 3.58 0.15 -1.26 -3.45 113.70 120.73 1ttr s SER 85 Ca -0.11 1.28 0.03 0.00 0.70 0.00 0.00 55.95 57.85 1ttr s SER 85 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1ttr s SER 85 CO 0.04 -0.68 0.63 -2.16 1.20 0.00 0.00 173.24 172.28 1ttr s PRO 86 N 3.21 2.96 -0.16 5.44 0.04 -1.26 -4.89 135.00 140.34 1ttr s PRO 86 Ca 0.43 -0.73 -0.21 0.00 0.04 0.00 0.00 61.00 60.53 1ttr s PRO 86 Cb -0.15 -2.62 -0.23 0.00 0.04 0.00 0.00 34.50 31.54 1ttr s PRO 86 CO 0.07 -0.28 0.42 0.35 0.04 0.00 0.00 177.00 177.61 1ttr h PHE 87 N 0.47 0.14 -3.72 0.56 3.57 -1.48 -3.48 116.94 113.00 1ttr h PHE 87 Ca -0.45 -0.10 -0.49 0.00 3.53 0.00 0.00 57.97 60.46 1ttr h PHE 87 Cb 1.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1ttr h PHE 87 CO 0.43 1.43 0.19 -1.01 -2.23 0.00 0.00 178.31 177.11 1ttr s HIS 88 N -2.37 3.60 0.14 0.41 3.76 -1.26 -4.98 115.29 114.59 1ttr s HIS 88 Ca -0.24 1.50 -0.11 0.00 -0.15 0.00 0.00 55.06 56.05 1ttr s HIS 88 Cb 0.04 -2.71 -0.02 0.00 1.11 0.00 0.00 32.58 30.99 1ttr s HIS 88 CO 0.66 0.23 1.51 0.93 -0.85 0.00 0.00 174.74 177.22 1ttr h GLU 89 N 3.08 0.94 -2.10 1.40 4.39 -1.98 -3.37 114.58 116.93 1ttr h GLU 89 Ca -0.48 -0.44 0.22 0.00 0.34 0.00 0.00 59.36 59.00 1ttr h GLU 89 Cb 1.19 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 1ttr h GLU 89 CO 0.65 1.10 0.58 -3.38 -1.16 0.00 0.00 179.01 176.80 1ttr s HIS 90 N -4.55 -0.11 -0.15 4.33 -3.43 -1.26 -3.78 115.29 106.34 1ttr s HIS 90 Ca -0.11 -0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 53.97 1ttr s HIS 90 Cb 0.11 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 1ttr s HIS 90 CO 0.87 -0.67 0.01 0.00 -2.00 0.00 0.00 174.74 172.95 1ttr s ALA 91 N -3.05 3.23 -0.02 -1.38 0.00 -0.69 -4.90 121.76 114.95 1ttr s ALA 91 Ca 0.12 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1ttr s ALA 91 Cb 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1ttr s ALA 91 CO 0.00 0.30 -0.20 -1.21 0.00 0.00 0.00 175.76 174.65 1ttr s GLU 92 N 0.03 1.73 -0.15 0.00 2.02 -1.26 -0.35 118.70 120.72 1ttr s GLU 92 Ca 0.03 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1ttr s GLU 92 Cb -0.13 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.50 1ttr s GLU 92 CO 0.02 0.41 -0.15 0.08 0.02 0.00 0.00 175.26 175.63 1ttr s VAL 93 N -0.38 1.65 -0.15 2.63 1.01 0.10 -4.96 120.40 120.31 1ttr s VAL 93 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ttr s VAL 93 Cb -0.09 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ttr s VAL 93 CO -0.00 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.68 1ttr s VAL 94 N 1.40 2.20 0.19 2.92 1.01 -1.26 -0.26 120.40 126.60 1ttr s VAL 94 Ca 0.04 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1ttr s VAL 94 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1ttr s VAL 94 CO -0.10 0.54 0.38 0.72 0.00 0.00 0.00 175.10 176.64 1ttr s PHE 95 N 0.85 0.31 -0.14 5.22 -0.71 -0.24 -5.00 117.98 118.26 1ttr s PHE 95 Ca -0.06 -0.67 -0.05 0.00 -1.04 0.00 0.00 56.93 55.11 1ttr s PHE 95 Cb -0.15 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1ttr s PHE 95 CO -0.02 -0.83 0.04 0.99 -1.34 0.00 0.00 175.22 174.06 1ttr s THR 96 N -3.97 4.60 -0.17 -4.49 2.01 -1.26 -0.56 115.64 111.80 1ttr s THR 96 Ca 0.18 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1ttr s THR 96 Cb 0.01 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1ttr s THR 96 CO 0.02 0.53 0.35 0.00 -0.69 0.00 0.00 174.62 174.83 1ttr s ALA 97 N -0.15 3.56 -0.07 7.40 0.00 0.11 -4.95 121.76 127.66 1ttr s ALA 97 Ca 0.06 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1ttr s ALA 97 Cb -0.12 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1ttr s ALA 97 CO 0.02 -0.07 -0.20 1.21 0.00 0.00 0.00 175.76 176.72 1ttr s ASN 98 N 0.72 3.50 -0.29 0.00 3.84 -1.26 -2.67 114.94 118.77 1ttr s ASN 98 Ca 0.18 -0.39 -0.18 0.00 0.21 0.00 0.00 52.86 52.68 1ttr s ASN 98 Cb -0.14 -0.97 -0.02 0.00 -0.55 0.00 0.00 41.25 39.57 1ttr s ASN 98 CO 0.06 0.26 0.53 -1.81 -2.79 0.00 0.00 177.10 173.36 1ttr s ASP 99 N -0.23 6.41 -0.48 -4.21 1.01 -1.26 -4.90 116.67 113.01 1ttr s ASP 99 Ca -0.01 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.66 1ttr s ASP 99 Cb -0.13 -2.29 0.22 0.00 1.01 0.00 0.00 42.92 41.73 1ttr s ASP 99 CO 0.03 -0.37 0.86 -1.54 0.21 0.00 0.00 175.17 174.36 1ttr n SER 100 N 5.66 -2.93 0.00 0.27 3.41 -1.26 -5.08 113.62 113.69 1ttr n SER 100 Ca -0.04 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1ttr n SER 100 Cb 0.49 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 1ttr n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ttr n GLY 101 N 2.26 -2.23 3.74 5.00 0.00 -1.26 -4.88 105.19 107.82 1ttr n GLY 101 Ca 0.13 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1ttr n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ttr s PRO 102 N -2.54 4.46 -0.01 1.61 0.04 -1.26 -5.04 135.00 132.26 1ttr s PRO 102 Ca 0.00 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1ttr s PRO 102 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1ttr s PRO 102 CO 0.00 -0.12 0.33 1.03 0.04 0.00 0.00 177.00 178.28 1ttr s ARG 103 N -0.57 0.72 -0.10 4.56 1.81 -1.26 -4.47 118.95 119.64 1ttr s ARG 103 Ca 0.52 -0.22 0.02 0.00 -1.72 0.00 0.00 55.73 54.33 1ttr s ARG 103 Cb -0.35 0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 34.46 1ttr s ARG 103 CO 0.40 -0.21 -0.17 0.50 -0.68 0.00 0.00 175.30 175.15 1ttr s ARG 104 N -1.54 3.04 -0.16 3.54 3.00 1.00 -4.79 118.95 123.04 1ttr s ARG 104 Ca -0.12 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.73 53.83 1ttr s ARG 104 Cb -0.04 -2.46 -0.02 0.00 0.00 0.00 0.00 34.95 32.42 1ttr s ARG 104 CO 0.03 0.31 -0.05 0.71 0.00 0.00 0.00 175.30 176.30 1ttr s TYR 105 N 0.06 2.98 -0.20 5.12 1.51 0.11 -1.68 117.35 125.24 1ttr s TYR 105 Ca -0.07 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1ttr s TYR 105 Cb -0.15 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1ttr s TYR 105 CO 0.05 -0.12 -0.12 0.99 -1.11 0.00 0.00 175.55 175.25 1ttr s THR 106 N 0.47 2.79 -0.32 -0.71 2.01 -0.46 -0.63 115.64 118.79 1ttr s THR 106 Ca -0.05 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1ttr s THR 106 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1ttr s THR 106 CO 0.03 0.48 0.20 -0.63 -0.69 0.00 0.00 174.62 174.01 1ttr s ILE 107 N 1.33 5.06 -0.01 1.82 -1.09 0.22 -0.88 121.20 127.64 1ttr s ILE 107 Ca 0.04 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 1ttr s ILE 107 Cb -0.14 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1ttr s ILE 107 CO -0.07 0.07 -0.03 0.00 -1.23 0.00 0.00 174.94 173.69 1ttr s ALA 108 N 1.69 3.17 -0.02 9.38 0.00 -0.24 -1.14 121.76 134.60 1ttr s ALA 108 Ca 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1ttr s ALA 108 Cb -0.17 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1ttr s ALA 108 CO 0.09 0.62 -0.05 0.00 0.00 0.00 0.00 175.76 176.43 1ttr s ALA 109 N -1.01 0.50 -0.20 0.00 0.00 -0.16 -1.63 121.76 119.26 1ttr s ALA 109 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1ttr s ALA 109 Cb -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1ttr s ALA 109 CO 0.08 0.07 -0.15 -1.17 0.00 0.00 0.00 175.76 174.59 1ttr s LEU 110 N 0.23 2.48 -0.09 0.00 2.96 -0.50 -0.68 118.68 123.08 1ttr s LEU 110 Ca -0.02 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 1ttr s LEU 110 Cb -0.06 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1ttr s LEU 110 CO -0.00 -0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 1ttr s LEU 111 N 1.32 3.35 0.16 -0.68 1.43 -0.54 -1.26 118.68 122.47 1ttr s LEU 111 Ca 0.04 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1ttr s LEU 111 Cb -0.14 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1ttr s LEU 111 CO -0.10 0.34 -0.01 -0.44 0.23 0.00 0.00 176.35 176.37 1ttr s SER 112 N -0.69 1.21 0.22 2.29 0.01 0.20 -1.25 113.70 115.68 1ttr s SER 112 Ca 0.11 -1.14 -0.08 0.00 1.31 0.00 0.00 55.95 56.15 1ttr s SER 112 Cb -0.11 0.11 0.24 0.00 0.21 0.00 0.00 66.02 66.47 1ttr s SER 112 CO 0.02 -0.54 1.86 -0.65 0.41 0.00 0.00 173.24 174.34 1ttr h PRO 113 N 2.75 0.93 -0.39 12.44 0.11 -1.99 -2.99 132.00 142.86 1ttr h PRO 113 Ca -0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ttr h PRO 113 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ttr h PRO 113 CO 0.63 0.61 0.00 0.66 -0.21 0.00 0.00 178.00 179.69 1ttr n TYR 114 N -4.62 0.64 -3.59 0.65 4.02 -1.26 -1.12 117.16 111.88 1ttr n TYR 114 Ca 0.09 -0.56 -0.17 0.00 -0.01 0.00 0.00 57.90 57.26 1ttr n TYR 114 Cb 0.10 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.28 1ttr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ttr s SER 115 N -1.12 -0.52 0.03 7.72 0.15 -1.13 -4.96 113.70 113.88 1ttr s SER 115 Ca 0.30 0.52 -0.09 0.00 0.70 0.00 0.00 55.95 57.38 1ttr s SER 115 Cb 0.18 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1ttr s SER 115 CO 0.17 -0.56 0.19 -0.72 1.20 0.00 0.00 173.24 173.52 1ttr s TYR 116 N -1.25 0.04 0.14 3.44 -0.85 -1.26 -0.63 117.35 116.98 1ttr s TYR 116 Ca -0.12 -0.22 0.10 0.00 -0.52 0.00 0.00 57.07 56.31 1ttr s TYR 116 Cb -0.02 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1ttr s TYR 116 CO 0.08 -0.40 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.36 1ttr s SER 117 N -1.92 3.01 0.00 -0.18 0.01 -0.39 -4.98 113.70 109.25 1ttr s SER 117 Ca -0.07 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1ttr s SER 117 Cb -0.02 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.01 1ttr s SER 117 CO -0.02 0.10 -0.02 0.28 0.41 0.00 0.00 173.24 173.99 1ttr s THR 118 N -1.32 0.18 0.05 1.44 -1.32 -1.26 -1.41 115.64 112.00 1ttr s THR 118 Ca 0.13 -0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 1ttr s THR 118 Cb -0.09 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 1ttr s THR 118 CO 0.06 0.02 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.50 1ttr s THR 119 N -0.14 0.69 -0.09 5.08 2.01 -0.65 -4.99 115.64 117.55 1ttr s THR 119 Ca -0.00 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 60.86 1ttr s THR 119 Cb -0.01 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1ttr s THR 119 CO -0.00 -0.34 -0.06 0.00 -0.69 0.00 0.00 174.62 173.53 1ttr s ALA 120 N -1.34 2.98 -0.27 7.40 0.00 -1.26 -1.07 121.76 128.19 1ttr s ALA 120 Ca -0.08 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1ttr s ALA 120 Cb -0.10 -1.31 0.06 0.00 0.00 0.00 0.00 23.12 21.77 1ttr s ALA 120 CO 0.01 0.47 -0.09 0.08 0.00 0.00 0.00 175.76 176.23 1ttr s VAL 121 N -0.47 2.23 -0.30 0.00 1.01 -0.06 -4.99 120.40 117.81 1ttr s VAL 121 Ca 0.07 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 1ttr s VAL 121 Cb -0.12 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1ttr s VAL 121 CO 0.02 -0.08 0.16 -0.63 0.00 0.00 0.00 175.10 174.57 1ttr s ILE 122 N 1.09 4.79 0.31 2.22 1.09 -1.26 -1.35 121.20 128.09 1ttr s ILE 122 Ca -0.07 -0.27 0.07 0.00 -1.10 0.00 0.00 60.65 59.28 1ttr s ILE 122 Cb -0.20 -3.40 -0.06 0.00 -1.06 0.00 0.00 42.46 37.74 1ttr s ILE 122 CO -0.05 0.11 -0.06 0.42 -0.10 0.00 0.00 174.94 175.26 1ttr s THR 123 N 1.65 1.84 -2.37 2.92 -4.23 -0.68 -4.95 115.64 109.83 1ttr s THR 123 Ca 0.05 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 58.71 1ttr s THR 123 Cb -0.17 -2.55 0.65 0.00 1.34 0.00 0.00 72.50 71.77 1ttr s THR 123 CO 0.07 -0.25 1.87 0.59 -0.54 0.00 0.00 174.62 176.37