#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2try h PRO 2 N 0.00 0.00 0.00 1.61 0.11 -1.90 -3.43 132.00 128.38 2try h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2try h PRO 2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2try h PRO 2 CO 0.00 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 175.42 2try n THR 3 N -4.08 0.00 0.00 -1.15 5.66 -1.26 -4.70 114.28 108.74 2try n THR 3 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2try n THR 3 Cb 0.19 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 2try n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2try n GLY 4 N 0.00 0.94 2.49 1.09 0.00 -1.26 -3.22 105.19 105.23 2try n GLY 4 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 46.02 46.35 2try n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2try n THR 5 N 0.00 -0.73 -3.60 2.61 -1.04 -1.26 -3.04 114.28 107.22 2try n THR 5 Ca 0.00 -2.72 0.02 0.00 -2.04 0.00 0.00 64.05 59.31 2try n THR 5 Cb 0.00 -0.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2try n THR 5 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2try s GLY 6 N -0.05 -0.43 0.00 3.41 0.00 -1.08 -4.85 107.32 104.32 2try s GLY 6 Ca 0.32 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.91 2try s GLY 6 CO -0.15 0.18 0.19 1.18 0.00 0.00 0.00 173.10 174.50 2try n GLU 7 N -0.46 0.00 0.00 2.90 1.02 -1.25 -4.54 120.64 118.32 2try n GLU 7 Ca -0.08 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2try n GLU 7 Cb 0.63 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2try n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2try n SER 8 N -0.42 0.00 -0.00 1.62 2.88 -1.26 -0.01 113.62 116.43 2try n SER 8 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2try n SER 8 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2try n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2try n LYS 9 N 0.00 0.49 -2.93 -1.46 4.81 -1.26 -4.90 118.16 112.90 2try n LYS 9 Ca 0.00 -0.02 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 2try n LYS 9 Cb 0.00 -1.05 0.01 0.00 0.02 0.00 0.00 35.03 34.01 2try n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2try h PRO 11 N 2.92 0.00 -2.72 0.00 0.11 -1.81 -3.44 132.00 127.06 2try h PRO 11 Ca -0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.84 2try h PRO 11 Cb 0.56 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.34 2try h PRO 11 CO 0.11 0.00 -0.53 -1.17 -0.21 0.00 0.00 178.00 176.20 2try s LEU 12 N -4.74 -0.32 0.17 2.35 2.96 -1.25 0.21 118.68 118.05 2try s LEU 12 Ca 0.09 0.48 0.11 0.00 -0.22 0.00 0.00 54.13 54.59 2try s LEU 12 Cb 0.11 0.73 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 2try s LEU 12 CO 0.64 -0.26 -0.25 -0.32 -1.32 0.00 0.00 176.35 174.84 2try s MET 13 N 2.43 1.47 -0.08 1.98 -2.45 0.79 -4.42 119.30 119.02 2try s MET 13 Ca 0.03 -1.45 0.03 0.00 -1.25 0.00 0.00 55.69 53.05 2try s MET 13 Cb -0.13 -1.87 0.01 0.00 1.25 0.00 0.00 34.83 34.08 2try s MET 13 CO -0.10 0.42 -0.19 0.08 1.05 0.00 0.00 175.02 176.29 2try s VAL 14 N -1.40 1.63 -0.15 10.11 1.01 -0.99 -1.04 120.40 129.57 2try s VAL 14 Ca 0.18 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2try s VAL 14 Cb -0.09 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2try s VAL 14 CO 0.08 0.47 -0.16 -0.75 0.00 0.00 0.00 175.10 174.74 2try s LYS 15 N 0.45 2.44 -0.14 2.72 2.47 0.26 0.11 119.74 128.05 2try s LYS 15 Ca -0.16 -0.62 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 2try s LYS 15 Cb -0.17 -2.18 0.01 0.00 -1.46 0.00 0.00 37.83 34.03 2try s LYS 15 CO 0.06 -0.21 -0.21 0.08 0.16 0.00 0.00 175.35 175.23 2try s VAL 16 N 1.38 2.09 0.12 4.02 1.01 -0.06 -0.79 120.40 128.17 2try s VAL 16 Ca 0.03 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.16 2try s VAL 16 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2try s VAL 16 CO -0.10 0.55 -0.27 -0.76 0.00 0.00 0.00 175.10 174.52 2try s LEU 17 N 0.86 2.31 -0.35 3.92 1.43 -0.19 -1.22 118.68 125.44 2try s LEU 17 Ca -0.06 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.21 2try s LEU 17 Cb -0.15 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2try s LEU 17 CO -0.03 0.18 0.16 -0.62 0.23 0.00 0.00 176.35 176.27 2try s ASP 18 N -2.00 5.55 0.00 2.29 -1.08 0.63 -1.27 116.67 120.79 2try s ASP 18 Ca 0.13 -0.91 0.29 0.00 -0.52 0.00 0.00 52.55 51.54 2try s ASP 18 Cb -0.10 -1.97 1.19 0.00 -1.46 0.00 0.00 42.92 40.58 2try s ASP 18 CO 0.06 -0.32 1.87 0.00 0.52 0.00 0.00 175.17 177.30 2try n ALA 19 N 4.94 2.62 -0.03 3.66 0.00 -0.77 -1.37 120.51 129.56 2try n ALA 19 Ca -0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 2try n ALA 19 Cb 0.46 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2try n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2try n VAL 20 N -1.36 1.69 0.53 0.00 0.31 -1.26 -4.46 118.33 113.77 2try n VAL 20 Ca 0.10 -0.66 0.11 0.00 -0.01 0.00 0.00 64.34 63.88 2try n VAL 20 Cb 0.31 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 2try n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2try n ARG 21 N -3.37 0.31 -1.99 5.55 1.74 -1.25 -4.97 116.66 112.68 2try n ARG 21 Ca -0.34 -0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 56.66 2try n ARG 21 Cb 1.04 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2try n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2try n GLY 22 N 1.38 0.27 3.25 -0.13 0.00 -0.47 -5.05 105.19 104.44 2try n GLY 22 Ca 0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2try n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2try s SER 23 N -2.87 0.79 0.70 1.61 1.04 -1.01 -4.98 113.70 108.97 2try s SER 23 Ca 0.00 -1.34 -0.11 0.00 0.48 0.00 0.00 55.95 54.98 2try s SER 23 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2try s SER 23 CO 0.00 -0.74 1.06 -2.16 0.98 0.00 0.00 173.24 172.38 2try s PRO 24 N -4.06 2.89 -0.44 4.02 0.04 -1.26 -0.27 135.00 135.92 2try s PRO 24 Ca 0.35 1.00 -0.20 0.00 0.04 0.00 0.00 61.00 62.18 2try s PRO 24 Cb 0.07 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.66 2try s PRO 24 CO 0.11 -1.14 0.63 0.00 0.04 0.00 0.00 177.00 176.64 2try s ALA 25 N -2.99 3.35 -0.02 8.56 0.00 -0.36 -4.63 121.76 125.68 2try s ALA 25 Ca 0.59 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2try s ALA 25 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2try s ALA 25 CO 0.54 -1.80 0.44 0.42 0.00 0.00 0.00 175.76 175.35 2try s ILE 26 N 2.77 5.03 -1.02 0.00 1.01 -1.26 -4.30 121.20 123.44 2try s ILE 26 Ca 0.21 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 2try s ILE 26 Cb -0.15 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2try s ILE 26 CO 0.18 0.52 0.11 0.59 0.00 0.00 0.00 174.94 176.34 2try n ASN 27 N 2.22 -4.01 -4.79 3.58 3.02 0.82 -4.95 115.26 111.15 2try n ASN 27 Ca -0.12 -0.06 -0.36 0.00 -0.03 0.00 0.00 54.58 54.01 2try n ASN 27 Cb 0.52 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.50 2try n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2try s VAL 28 N -2.70 4.28 -0.07 2.41 1.01 -1.26 -4.75 120.40 119.32 2try s VAL 28 Ca 0.05 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 2try s VAL 28 Cb -0.02 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2try s VAL 28 CO 0.06 0.09 0.49 0.00 0.00 0.00 0.00 175.10 175.74 2try s ALA 29 N -1.68 3.53 -0.05 5.51 0.00 -1.26 -1.26 121.76 126.55 2try s ALA 29 Ca 0.51 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.36 2try s ALA 29 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2try s ALA 29 CO 0.22 0.14 -0.15 0.08 0.00 0.00 0.00 175.76 176.05 2try s VAL 30 N 0.07 1.27 -0.20 0.00 1.01 -0.89 0.37 120.40 122.03 2try s VAL 30 Ca 0.26 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2try s VAL 30 Cb -0.16 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.16 2try s VAL 30 CO 0.12 0.38 -0.05 -1.00 0.00 0.00 0.00 175.10 174.55 2try s HIS 31 N 0.21 1.93 0.19 5.22 3.76 0.05 -1.81 115.29 124.84 2try s HIS 31 Ca -0.06 -1.35 -0.16 0.00 -0.15 0.00 0.00 55.06 53.33 2try s HIS 31 Cb -0.12 -1.40 -0.08 0.00 1.11 0.00 0.00 32.58 32.09 2try s HIS 31 CO 0.02 -0.69 0.64 0.08 -0.85 0.00 0.00 174.74 173.94 2try s VAL 32 N 1.55 4.72 0.09 -0.90 1.01 0.54 -1.47 120.40 125.94 2try s VAL 32 Ca -0.02 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.00 2try s VAL 32 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2try s VAL 32 CO -0.07 0.19 -0.08 -0.36 0.00 0.00 0.00 175.10 174.78 2try s PHE 33 N -1.53 0.89 -0.00 5.22 0.40 0.12 -2.09 117.98 120.99 2try s PHE 33 Ca 0.41 -0.77 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2try s PHE 33 Cb -0.15 -0.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 2try s PHE 33 CO 0.20 -0.10 -0.23 0.50 0.70 0.00 0.00 175.22 176.30 2try s ARG 34 N -3.13 1.75 -0.14 0.44 3.52 -0.50 -0.15 118.95 120.75 2try s ARG 34 Ca 0.06 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.51 2try s ARG 34 Cb 0.00 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.63 2try s ARG 34 CO -0.02 0.47 1.27 0.21 -0.81 0.00 0.00 175.30 176.42 2try s LYS 35 N -0.70 4.25 0.48 5.12 2.47 0.13 -1.34 119.74 130.15 2try s LYS 35 Ca 0.09 1.69 0.05 0.00 -1.56 0.00 0.00 55.97 56.24 2try s LYS 35 Cb -0.09 -3.74 0.02 0.00 -1.46 0.00 0.00 37.83 32.56 2try s LYS 35 CO -0.00 -0.67 0.66 0.00 0.16 0.00 0.00 175.35 175.50 2try s ALA 36 N 3.31 4.26 0.05 3.13 0.00 0.03 -4.72 121.76 127.82 2try s ALA 36 Ca 0.56 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2try s ALA 36 Cb -0.23 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2try s ALA 36 CO 0.17 -0.49 0.99 0.00 0.00 0.00 0.00 175.76 176.43 2try n ALA 37 N -2.07 -0.22 -0.73 0.00 0.00 -1.26 -0.46 120.51 115.78 2try n ALA 37 Ca 0.08 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 2try n ALA 37 Cb 0.59 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 2try n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2try n ASP 38 N -3.73 4.46 -3.17 0.00 5.75 -1.26 -4.79 116.55 113.81 2try n ASP 38 Ca 0.01 -2.29 -0.22 0.00 -0.01 0.00 0.00 54.79 52.27 2try n ASP 38 Cb 0.09 -1.13 -0.04 0.00 -1.03 0.00 0.00 41.12 39.00 2try n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2try n ASP 39 N 2.30 -0.77 -4.79 -1.12 9.92 0.40 -4.91 116.55 117.58 2try n ASP 39 Ca 0.26 -0.67 -0.29 0.00 -0.53 0.00 0.00 54.79 53.56 2try n ASP 39 Cb 0.68 -0.85 -0.06 0.00 -0.64 0.00 0.00 41.12 40.25 2try n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2try s THR 40 N -2.41 1.53 -0.51 -3.53 -4.23 -1.23 -4.86 115.64 100.40 2try s THR 40 Ca 0.39 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 2try s THR 40 Cb -0.22 -2.32 0.12 0.00 1.34 0.00 0.00 72.50 71.41 2try s THR 40 CO 0.55 0.00 0.45 0.26 -0.54 0.00 0.00 174.62 175.33 2try s TRP 41 N -2.80 3.28 -0.21 3.99 0.52 -1.26 -0.79 118.94 121.67 2try s TRP 41 Ca 0.21 -1.33 -0.19 0.00 0.02 0.00 0.00 56.10 54.81 2try s TRP 41 Cb 0.01 -3.60 -0.03 0.00 -1.15 0.00 0.00 33.47 28.71 2try s TRP 41 CO 0.12 -0.97 0.57 -1.83 0.02 0.00 0.00 176.95 174.86 2try s GLU 42 N 1.56 4.19 -0.05 4.98 -1.05 -0.45 -4.85 118.70 123.03 2try s GLU 42 Ca 0.04 0.49 -0.37 0.00 -0.15 0.00 0.00 54.97 54.98 2try s GLU 42 Cb -0.28 -3.58 -0.16 0.00 -0.44 0.00 0.00 34.13 29.68 2try s GLU 42 CO 0.03 -0.21 1.57 -2.30 0.95 0.00 0.00 175.26 175.29 2try n PRO 43 N 4.99 1.36 0.00 -4.83 -0.02 -1.26 -1.40 135.00 133.83 2try n PRO 43 Ca -0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2try n PRO 43 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2try n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2try n PHE 44 N 4.06 0.00 -4.09 6.00 7.35 -0.89 -4.85 117.46 125.04 2try n PHE 44 Ca 0.22 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2try n PHE 44 Cb 0.19 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.95 2try n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2try s ALA 45 N -3.11 0.43 0.10 3.13 0.00 -1.17 -5.02 121.76 116.11 2try s ALA 45 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 2try s ALA 45 Cb 0.00 1.21 0.08 0.00 0.00 0.00 0.00 23.12 24.41 2try s ALA 45 CO 0.00 -0.75 1.05 -1.54 0.00 0.00 0.00 175.76 174.52 2try s SER 46 N -3.10 -0.15 0.00 0.00 1.04 -1.26 -0.34 113.70 109.89 2try s SER 46 Ca 0.30 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2try s SER 46 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2try s SER 46 CO 0.12 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2try n GLY 47 N -0.46 -0.61 3.05 7.32 0.00 -0.75 -5.02 105.19 108.73 2try n GLY 47 Ca -0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2try n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2try s LYS 48 N -0.43 0.69 0.25 1.61 -0.14 -1.26 -2.09 119.74 118.36 2try s LYS 48 Ca 0.00 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 2try s LYS 48 Cb 0.00 -0.63 -0.10 0.00 -1.68 0.00 0.00 37.83 35.43 2try s LYS 48 CO 0.00 0.16 1.35 0.95 -0.76 0.00 0.00 175.35 177.05 2try s THR 49 N -0.64 2.92 1.04 2.17 -4.23 -0.39 -4.85 115.64 111.65 2try s THR 49 Ca -0.00 0.79 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 2try s THR 49 Cb -0.06 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.53 2try s THR 49 CO 0.00 0.14 0.89 -1.54 -0.54 0.00 0.00 174.62 173.57 2try n SER 50 N 2.12 -2.06 0.04 3.99 3.41 -1.14 -0.13 113.62 119.85 2try n SER 50 Ca 0.05 -1.03 0.08 0.00 -0.26 0.00 0.00 58.87 57.71 2try n SER 50 Cb 0.42 -0.83 0.35 0.00 -0.26 0.00 0.00 64.21 63.89 2try n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2try n GLU 51 N -4.34 0.06 -0.10 4.33 1.02 -1.26 -0.90 120.64 119.44 2try n GLU 51 Ca 0.12 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2try n GLU 51 Cb 0.49 -1.61 0.18 0.00 -0.02 0.00 0.00 31.44 30.48 2try n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2try n SER 52 N -1.71 3.16 0.00 1.62 3.41 -1.26 -4.83 113.62 114.00 2try n SER 52 Ca 0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2try n SER 52 Cb 0.18 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2try n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2try n GLY 53 N 1.42 0.55 3.75 5.00 0.00 -0.08 -4.81 105.19 111.02 2try n GLY 53 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2try n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2try s GLU 54 N -0.30 3.01 -0.32 1.61 2.02 -1.26 -0.88 118.70 122.58 2try s GLU 54 Ca 0.00 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.52 2try s GLU 54 Cb 0.00 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.49 2try s GLU 54 CO 0.00 0.66 0.02 -1.17 0.02 0.00 0.00 175.26 174.79 2try s LEU 55 N -1.56 4.36 0.17 1.80 2.96 0.29 -2.87 118.68 123.84 2try s LEU 55 Ca 0.21 -1.80 0.04 0.00 -0.22 0.00 0.00 54.13 52.35 2try s LEU 55 Cb -0.12 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2try s LEU 55 CO 0.11 -0.34 0.24 -1.00 -1.32 0.00 0.00 176.35 174.05 2try s HIS 56 N 1.04 3.35 -0.83 5.38 3.76 -1.26 -2.35 115.29 124.38 2try s HIS 56 Ca 0.03 0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2try s HIS 56 Cb -0.20 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.90 2try s HIS 56 CO -0.06 0.51 0.70 0.41 -0.85 0.00 0.00 174.74 175.45 2try n GLY 57 N -0.63 -0.11 0.13 -2.22 0.00 -1.26 -4.65 105.19 96.44 2try n GLY 57 Ca -0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2try n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2try h LEU 58 N -1.35 0.59 0.00 0.99 3.38 -1.80 -2.86 115.31 114.27 2try h LEU 58 Ca -0.40 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 56.61 2try h LEU 58 Cb 1.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2try h LEU 58 CO 0.35 1.52 -0.01 1.07 0.09 0.00 0.00 178.44 181.45 2try n THR 59 N -3.97 0.00 -4.19 0.22 5.66 -1.26 -4.54 114.28 106.19 2try n THR 59 Ca -0.16 -0.12 -0.16 0.00 -3.05 0.00 0.00 64.05 60.57 2try n THR 59 Cb 0.93 0.07 -0.07 0.00 -1.55 0.00 0.00 70.33 69.71 2try n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2try s THR 60 N -2.44 0.00 0.24 1.09 -4.23 -1.17 -3.93 115.64 105.20 2try s THR 60 Ca 0.02 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 2try s THR 60 Cb -0.00 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.53 2try s THR 60 CO 0.01 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.62 2try h GLU 61 N 2.25 0.94 -0.15 3.99 5.08 -1.91 0.20 114.58 124.99 2try h GLU 61 Ca -0.28 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 2try h GLU 61 Cb 1.24 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2try h GLU 61 CO 0.41 0.63 -0.56 0.93 -1.00 0.00 0.00 179.01 179.41 2try h GLU 62 N 0.97 0.46 0.00 2.33 4.39 -1.97 -3.28 114.58 117.48 2try h GLU 62 Ca 0.37 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2try h GLU 62 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2try h GLU 62 CO -0.17 0.90 -1.00 1.49 -1.16 0.00 0.00 179.01 179.07 2try h GLU 63 N 0.35 0.00 -5.28 2.33 4.81 -1.77 -3.43 114.58 111.60 2try h GLU 63 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.57 2try h GLU 63 Cb 1.09 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.32 2try h GLU 63 CO 0.10 0.06 0.94 0.12 -0.73 0.00 0.00 179.01 179.50 2try s PHE 64 N -3.26 2.96 0.34 0.92 5.36 0.69 -4.92 117.98 120.07 2try s PHE 64 Ca -0.00 -1.20 0.07 0.00 -0.96 0.00 0.00 56.93 54.83 2try s PHE 64 Cb 0.09 -4.36 -0.02 0.00 -0.34 0.00 0.00 43.02 38.39 2try s PHE 64 CO 0.78 -1.59 0.38 0.14 -1.46 0.00 0.00 175.22 173.47 2try s VAL 65 N 3.26 3.72 0.31 3.12 -7.23 -1.26 -4.88 120.40 117.44 2try s VAL 65 Ca 0.34 -1.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 2try s VAL 65 Cb -0.05 -3.27 -0.13 0.00 0.56 0.00 0.00 36.38 33.49 2try s VAL 65 CO -0.08 -0.16 1.29 -0.62 -0.31 0.00 0.00 175.10 175.22 2try n GLU 66 N -1.50 2.01 -3.77 4.82 1.02 -1.26 -4.73 120.64 117.22 2try n GLU 66 Ca -0.01 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 2try n GLU 66 Cb 0.59 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 2try n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2try n GLY 67 N 1.19 -1.08 3.36 0.62 0.00 -1.24 -4.97 105.19 103.07 2try n GLY 67 Ca 0.07 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 2try n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2try s ILE 68 N -3.00 3.87 0.25 -0.61 1.01 -1.26 0.36 121.20 121.82 2try s ILE 68 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.25 2try s ILE 68 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2try s ILE 68 CO 0.00 0.26 0.06 -0.31 0.00 0.00 0.00 174.94 174.95 2try s TYR 69 N 1.52 2.84 -0.07 3.97 1.51 -0.08 0.19 117.35 127.24 2try s TYR 69 Ca 0.05 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2try s TYR 69 Cb -0.16 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2try s TYR 69 CO 0.01 0.58 0.00 0.21 -1.11 0.00 0.00 175.55 175.24 2try s LYS 70 N -3.65 0.58 -0.40 -0.62 2.20 0.79 -1.76 119.74 116.88 2try s LYS 70 Ca 0.31 0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 2try s LYS 70 Cb -0.07 -0.91 0.04 0.00 -1.51 0.00 0.00 37.83 35.38 2try s LYS 70 CO 0.21 -0.28 0.25 0.08 -0.36 0.00 0.00 175.35 175.26 2try s VAL 71 N 1.85 4.67 -0.30 4.02 1.01 0.18 0.12 120.40 131.96 2try s VAL 71 Ca 0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2try s VAL 71 Cb -0.12 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2try s VAL 71 CO -0.05 -0.34 0.07 -0.70 0.00 0.00 0.00 175.10 174.09 2try s GLU 72 N 1.56 3.01 -0.25 2.72 2.12 -0.55 0.07 118.70 127.38 2try s GLU 72 Ca 0.03 -0.91 -0.11 0.00 0.36 0.00 0.00 54.97 54.34 2try s GLU 72 Cb -0.20 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 2try s GLU 72 CO 0.06 -0.47 0.19 0.42 -0.54 0.00 0.00 175.26 174.92 2try s ILE 73 N 1.47 5.33 -1.26 -3.70 1.01 0.19 -0.77 121.20 123.47 2try s ILE 73 Ca 0.02 0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 2try s ILE 73 Cb -0.17 -3.53 0.10 0.00 0.01 0.00 0.00 42.46 38.87 2try s ILE 73 CO 0.02 0.30 1.63 -1.81 0.00 0.00 0.00 174.94 175.08 2try s ASP 74 N 1.32 6.91 0.07 3.58 1.01 0.16 -1.52 116.67 128.20 2try s ASP 74 Ca 0.08 -2.61 -0.14 0.00 0.71 0.00 0.00 52.55 50.59 2try s ASP 74 Cb -0.15 -2.52 -0.23 0.00 1.01 0.00 0.00 42.92 41.03 2try s ASP 74 CO 0.07 -1.04 1.19 0.71 0.21 0.00 0.00 175.17 176.31 2try h THR 75 N 5.30 1.29 -0.66 -1.27 1.35 -1.87 -3.30 112.91 113.75 2try h THR 75 Ca 0.40 -2.22 0.13 0.00 -0.55 0.00 0.00 66.41 64.16 2try h THR 75 Cb 0.87 2.39 -0.13 0.00 -1.73 0.00 0.00 68.15 69.55 2try h THR 75 CO 1.39 0.69 -0.23 0.50 -0.25 0.00 0.00 175.52 177.61 2try h LYS 76 N 0.36 -0.06 -0.51 4.72 3.64 -1.73 -0.23 116.57 122.77 2try h LYS 76 Ca -0.12 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2try h LYS 76 Cb 1.66 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 2try h LYS 76 CO 0.20 -0.04 0.01 1.88 -2.27 0.00 0.00 179.45 179.23 2try h TYR 77 N -0.06 0.91 -0.24 1.91 0.05 -1.86 -0.71 116.97 116.97 2try h TYR 77 Ca 0.30 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.99 2try h TYR 77 Cb 0.53 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 2try h TYR 77 CO -0.59 0.83 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.40 2try h TYR 78 N 0.80 -0.08 -0.00 4.88 3.20 -1.19 -0.26 116.97 124.31 2try h TYR 78 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2try h TYR 78 Cb 0.47 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2try h TYR 78 CO 0.03 -0.08 -0.40 -1.49 -1.64 0.00 0.00 178.16 174.58 2try h TRP 79 N 0.03 0.01 -0.45 -3.82 4.06 -0.86 -3.06 115.95 111.86 2try h TRP 79 Ca 0.12 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 2try h TRP 79 Cb 0.17 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 2try h TRP 79 CO -0.22 0.41 0.05 0.87 -3.56 0.00 0.00 178.44 175.98 2try h LYS 80 N 0.01 0.76 -0.95 0.49 1.57 0.47 -0.06 116.57 118.85 2try h LYS 80 Ca -0.00 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2try h LYS 80 Cb 0.71 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 2try h LYS 80 CO 0.05 0.80 0.62 0.00 -0.57 0.00 0.00 179.45 180.35 2try h ALA 81 N 0.93 1.45 0.00 3.86 0.00 -1.18 0.15 119.26 124.47 2try h ALA 81 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2try h ALA 81 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2try h ALA 81 CO 0.01 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2try n LEU 82 N -4.48 0.00 -1.59 0.00 4.32 -1.00 -4.82 117.00 109.42 2try n LEU 82 Ca 0.14 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.05 2try n LEU 82 Cb 0.17 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 41.98 2try n LEU 82 CO 0.33 -0.01 0.03 0.61 -1.22 0.00 0.00 177.39 177.13 2try n GLY 83 N 0.10 0.19 3.04 -0.72 0.00 0.53 -5.03 105.19 103.30 2try n GLY 83 Ca 0.13 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2try n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2try s ILE 84 N -2.91 1.03 -0.31 -0.61 1.01 -0.07 -5.02 121.20 114.32 2try s ILE 84 Ca 0.17 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 2try s ILE 84 Cb -0.08 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2try s ILE 84 CO 0.21 0.32 0.44 -0.94 0.00 0.00 0.00 174.94 174.97 2try s SER 85 N 0.29 6.28 0.64 3.58 1.04 -1.26 -3.25 113.70 121.03 2try s SER 85 Ca -0.06 0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 2try s SER 85 Cb -0.11 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.83 2try s SER 85 CO 0.02 -0.32 0.91 -2.16 0.98 0.00 0.00 173.24 172.66 2try s PRO 86 N 2.20 2.24 -0.07 4.02 0.04 -1.26 -4.95 135.00 137.22 2try s PRO 86 Ca 0.16 -0.61 0.06 0.00 0.04 0.00 0.00 61.00 60.65 2try s PRO 86 Cb -0.16 -2.32 -0.24 0.00 0.04 0.00 0.00 34.50 31.82 2try s PRO 86 CO 0.11 -1.06 0.56 0.34 0.04 0.00 0.00 177.00 177.00 2try n PHE 87 N -2.67 1.11 -3.42 0.56 7.35 -0.47 -4.97 117.46 114.94 2try n PHE 87 Ca 0.09 0.33 -0.33 0.00 -0.76 0.00 0.00 57.45 56.78 2try n PHE 87 Cb 0.60 -1.18 -0.05 0.00 0.35 0.00 0.00 39.48 39.20 2try n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2try s HIS 88 N -2.58 3.49 0.09 -5.13 3.76 -1.26 -4.99 115.29 108.66 2try s HIS 88 Ca -0.11 0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 55.58 2try s HIS 88 Cb 0.07 -2.27 -0.19 0.00 1.11 0.00 0.00 32.58 31.30 2try s HIS 88 CO 0.81 0.34 1.24 0.93 -0.85 0.00 0.00 174.74 177.21 2try h GLU 89 N 2.92 0.73 0.00 1.40 4.39 -1.99 -3.37 114.58 118.65 2try h GLU 89 Ca -0.47 -0.70 0.04 0.00 0.34 0.00 0.00 59.36 58.57 2try h GLU 89 Cb 1.18 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2try h GLU 89 CO 0.68 1.29 0.14 -2.39 -1.16 0.00 0.00 179.01 177.57 2try n HIS 90 N -3.88 -0.67 -4.64 4.33 1.44 -1.26 -3.58 115.22 106.96 2try n HIS 90 Ca -0.09 -0.26 -0.25 0.00 -2.01 0.00 0.00 57.72 55.11 2try n HIS 90 Cb 0.83 0.13 -0.16 0.00 0.12 0.00 0.00 29.99 30.90 2try n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2try s ALA 91 N -1.23 1.30 0.11 1.59 0.00 -0.58 -4.89 121.76 118.07 2try s ALA 91 Ca 0.05 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.61 2try s ALA 91 Cb -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2try s ALA 91 CO 0.01 0.15 -0.18 -1.83 0.00 0.00 0.00 175.76 173.92 2try s GLU 92 N 0.49 1.07 -0.17 0.00 -1.05 -1.26 0.56 118.70 118.34 2try s GLU 92 Ca -0.12 -1.18 -0.02 0.00 -0.15 0.00 0.00 54.97 53.51 2try s GLU 92 Cb -0.14 -1.17 0.05 0.00 -0.44 0.00 0.00 34.13 32.42 2try s GLU 92 CO 0.03 0.26 0.00 0.08 0.95 0.00 0.00 175.26 176.58 2try s VAL 93 N -1.53 0.71 -0.24 1.83 1.01 0.11 -4.97 120.40 117.33 2try s VAL 93 Ca 0.07 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2try s VAL 93 Cb -0.08 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2try s VAL 93 CO 0.04 -0.03 0.06 -0.69 0.00 0.00 0.00 175.10 174.49 2try s VAL 94 N 1.79 4.31 0.07 2.92 1.01 -1.26 -0.64 120.40 128.60 2try s VAL 94 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2try s VAL 94 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2try s VAL 94 CO -0.07 0.36 0.30 0.72 0.00 0.00 0.00 175.10 176.41 2try s PHE 95 N 1.44 -0.08 -0.45 5.22 -0.71 -0.72 -5.02 117.98 117.66 2try s PHE 95 Ca 0.05 -0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.59 2try s PHE 95 Cb -0.15 0.10 0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2try s PHE 95 CO 0.03 -0.55 0.72 0.99 -1.34 0.00 0.00 175.22 175.07 2try s THR 96 N -3.00 4.73 0.87 -4.49 2.01 -1.26 -0.90 115.64 113.61 2try s THR 96 Ca -0.02 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 2try s THR 96 Cb 0.01 -4.27 0.12 0.00 0.01 0.00 0.00 72.50 68.37 2try s THR 96 CO -0.06 -0.67 1.18 0.00 -0.69 0.00 0.00 174.62 174.38 2try s ALA 97 N 3.06 2.26 0.00 7.40 0.00 0.16 -4.69 121.76 129.94 2try s ALA 97 Ca 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2try s ALA 97 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2try s ALA 97 CO 0.21 -2.03 0.00 0.09 0.00 0.00 0.00 175.76 174.03 2try n ASN 98 N -3.56 0.00 0.00 0.00 4.13 -1.26 -3.59 115.26 110.98 2try n ASN 98 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2try n ASN 98 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 2try n ASN 98 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2try n ASP 99 N 0.00 0.00 -2.08 6.41 8.00 -1.26 -1.14 116.55 126.48 2try n ASP 99 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2try n ASP 99 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2try n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2try n SER 100 N 2.44 3.18 0.00 -2.24 3.41 -1.26 -4.78 113.62 114.36 2try n SER 100 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2try n SER 100 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2try n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2try n GLY 101 N 2.46 4.72 0.23 5.00 0.00 -0.29 -4.92 105.19 112.40 2try n GLY 101 Ca 0.20 -1.16 0.04 0.00 0.00 0.00 0.00 46.02 45.09 2try n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2try h PRO 102 N 0.00 0.12 0.00 1.61 0.13 -1.86 -3.37 132.00 128.62 2try h PRO 102 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2try h PRO 102 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2try h PRO 102 CO 0.00 0.27 0.00 0.54 -0.23 0.00 0.00 178.00 178.58 2try n ARG 103 N -4.31 0.00 -3.81 0.86 1.74 -1.26 -4.71 116.66 105.17 2try n ARG 103 Ca -0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 2try n ARG 103 Cb 0.25 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.54 2try n ARG 103 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2try s ARG 104 N 0.00 -0.01 -0.13 5.56 1.81 -0.98 -4.58 118.95 120.62 2try s ARG 104 Ca 0.00 0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.16 2try s ARG 104 Cb 0.00 -0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.38 2try s ARG 104 CO 0.00 -0.10 -0.19 0.71 -0.68 0.00 0.00 175.30 175.05 2try s TYR 105 N 0.62 2.37 -0.12 -0.53 1.51 0.13 -1.93 117.35 119.41 2try s TYR 105 Ca -0.05 -1.19 0.02 0.00 -1.01 0.00 0.00 57.07 54.84 2try s TYR 105 Cb -0.07 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2try s TYR 105 CO -0.02 -0.57 -0.19 0.99 -1.11 0.00 0.00 175.55 174.64 2try s THR 106 N 0.95 2.45 -0.28 -0.71 2.01 0.46 -0.15 115.64 120.37 2try s THR 106 Ca -0.06 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 2try s THR 106 Cb -0.15 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2try s THR 106 CO -0.03 0.54 0.07 -0.63 -0.69 0.00 0.00 174.62 173.88 2try s ILE 107 N 0.40 3.94 0.05 1.82 -1.09 -0.21 0.37 121.20 126.48 2try s ILE 107 Ca -0.15 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2try s ILE 107 Cb -0.17 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2try s ILE 107 CO 0.07 0.13 0.09 0.00 -1.23 0.00 0.00 174.94 174.00 2try s ALA 108 N 1.51 3.60 -0.08 9.38 0.00 0.26 -0.57 121.76 135.86 2try s ALA 108 Ca 0.03 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 2try s ALA 108 Cb -0.17 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2try s ALA 108 CO 0.02 0.74 0.21 0.00 0.00 0.00 0.00 175.76 176.73 2try s ALA 109 N -1.33 -0.52 -0.11 0.00 0.00 0.03 -1.06 121.76 118.76 2try s ALA 109 Ca 0.27 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2try s ALA 109 Cb -0.12 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2try s ALA 109 CO 0.20 -0.11 -0.10 -1.17 0.00 0.00 0.00 175.76 174.58 2try s LEU 110 N 0.03 1.38 0.11 0.00 2.96 -0.57 -1.02 118.68 121.58 2try s LEU 110 Ca -0.01 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2try s LEU 110 Cb -0.02 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 2try s LEU 110 CO 0.00 -0.08 0.02 -0.76 -1.32 0.00 0.00 176.35 174.22 2try s LEU 111 N 1.47 3.52 0.21 -0.68 1.43 -0.40 -1.17 118.68 123.05 2try s LEU 111 Ca 0.01 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2try s LEU 111 Cb -0.13 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2try s LEU 111 CO -0.07 0.15 0.27 -0.44 0.23 0.00 0.00 176.35 176.49 2try s SER 112 N -2.53 0.06 0.36 2.29 0.01 0.11 -1.84 113.70 112.15 2try s SER 112 Ca 0.27 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.44 2try s SER 112 Cb -0.11 0.46 0.69 0.00 0.21 0.00 0.00 66.02 67.26 2try s SER 112 CO 0.19 -0.95 1.99 -0.65 0.41 0.00 0.00 173.24 174.24 2try h PRO 113 N 2.50 0.78 -0.11 12.44 0.11 -2.00 -3.08 132.00 142.64 2try h PRO 113 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2try h PRO 113 Cb 1.24 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2try h PRO 113 CO 0.46 0.52 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 2try n TYR 114 N -4.46 0.35 -3.46 0.65 4.02 -1.26 -1.37 117.16 111.64 2try n TYR 114 Ca 0.08 -0.91 -0.13 0.00 -0.01 0.00 0.00 57.90 56.94 2try n TYR 114 Cb 0.12 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 2try n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2try s SER 115 N -2.36 -0.55 -0.19 7.72 0.15 -1.17 -4.96 113.70 112.35 2try s SER 115 Ca 0.33 0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.92 2try s SER 115 Cb 0.28 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 65.19 2try s SER 115 CO 0.05 -0.81 0.60 -0.72 1.20 0.00 0.00 173.24 173.57 2try s TYR 116 N -3.02 -0.64 0.12 3.44 1.13 -1.26 0.08 117.35 117.19 2try s TYR 116 Ca -0.01 1.48 0.10 0.00 -1.41 0.00 0.00 57.07 57.24 2try s TYR 116 Cb -0.01 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2try s TYR 116 CO -0.07 -0.37 -0.26 -1.12 -2.51 0.00 0.00 175.55 171.22 2try s SER 117 N -0.00 3.38 0.04 -0.18 0.01 -0.32 -4.96 113.70 111.67 2try s SER 117 Ca -0.02 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.55 2try s SER 117 Cb -0.04 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2try s SER 117 CO 0.02 0.19 -0.06 0.28 0.41 0.00 0.00 173.24 174.08 2try s THR 118 N -1.04 0.42 -0.11 1.44 -1.32 -1.26 -1.51 115.64 112.26 2try s THR 118 Ca 0.14 -1.15 -0.11 0.00 -1.21 0.00 0.00 61.69 59.37 2try s THR 118 Cb -0.10 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.26 2try s THR 118 CO 0.06 -0.49 0.30 -0.89 -2.21 0.00 0.00 174.62 171.39 2try s THR 119 N -1.73 0.00 -0.16 5.08 2.01 -0.23 -4.98 115.64 115.63 2try s THR 119 Ca -0.09 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2try s THR 119 Cb -0.08 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2try s THR 119 CO -0.01 -0.01 -0.08 0.00 -0.69 0.00 0.00 174.62 173.83 2try s ALA 120 N 0.12 2.77 -0.46 7.40 0.00 -1.26 0.91 121.76 131.24 2try s ALA 120 Ca -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2try s ALA 120 Cb -0.02 -1.44 0.12 0.00 0.00 0.00 0.00 23.12 21.78 2try s ALA 120 CO 0.00 0.04 0.25 0.08 0.00 0.00 0.00 175.76 176.13 2try s VAL 121 N 0.69 3.26 -0.41 0.00 1.01 0.16 -4.92 120.40 120.19 2try s VAL 121 Ca -0.04 -2.39 -0.14 0.00 0.00 0.00 0.00 61.98 59.41 2try s VAL 121 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2try s VAL 121 CO 0.02 -0.74 0.29 0.54 0.00 0.00 0.00 175.10 175.21 2try s VAL 122 N 0.73 5.01 0.24 2.92 0.11 -1.26 -0.40 120.40 127.75 2try s VAL 122 Ca 0.11 -0.83 0.11 0.00 -2.93 0.00 0.00 61.98 58.44 2try s VAL 122 Cb -0.22 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 2try s VAL 122 CO -0.04 -0.35 -0.20 0.28 -3.33 0.00 0.00 175.10 171.46 2try s THR 123 N 1.62 2.29 -0.06 5.04 -1.32 -0.81 -4.95 115.64 117.45 2try s THR 123 Ca 0.04 -2.23 -0.30 0.00 -1.21 0.00 0.00 61.69 57.99 2try s THR 123 Cb -0.20 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 2try s THR 123 CO 0.08 -0.34 1.21 0.21 -2.21 0.00 0.00 174.62 173.57 2try s ASN 124 N -3.17 7.04 0.21 8.08 3.04 -1.26 -2.32 114.94 126.56 2try s ASN 124 Ca 0.25 1.82 -0.24 0.00 0.04 0.00 0.00 52.86 54.72 2try s ASN 124 Cb -0.05 -2.56 -0.08 0.00 -1.54 0.00 0.00 41.25 37.02 2try s ASN 124 CO 0.12 -0.60 0.80 -2.16 -3.04 0.00 0.00 177.10 172.22 2try s PRO 125 N 2.30 4.52 -0.30 0.43 0.04 -1.26 -4.98 135.00 135.75 2try s PRO 125 Ca 0.56 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2try s PRO 125 Cb -0.25 -3.10 0.12 0.00 0.04 0.00 0.00 34.50 31.32 2try s PRO 125 CO 0.22 0.48 0.69 0.15 0.04 0.00 0.00 177.00 178.58 2try s LYS 126 N -1.49 0.58 0.00 4.56 1.02 -1.26 -5.09 119.74 118.06 2try s LYS 126 Ca 0.40 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.73 2try s LYS 126 Cb -0.21 0.68 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 2try s LYS 126 CO 0.25 -0.18 0.00 -0.85 -0.92 0.00 0.00 175.35 173.65