#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tlm n GLY 6 N 0.00 1.13 0.12 1.09 0.00 -1.26 -5.04 105.19 101.22 1tlm n GLY 6 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1tlm n GLY 6 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tlm n GLU 7 N 0.00 0.58 -1.74 1.61 2.13 -1.26 -4.91 120.64 117.05 1tlm n GLU 7 Ca 0.00 0.47 -0.00 0.00 0.66 0.00 0.00 57.16 58.29 1tlm n GLU 7 Cb 0.00 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.06 1tlm n GLU 7 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1tlm n SER 8 N -4.33 -0.30 -2.39 4.31 3.41 -1.26 -5.03 113.62 108.03 1tlm n SER 8 Ca -0.39 -1.25 -0.33 0.00 -0.26 0.00 0.00 58.87 56.64 1tlm n SER 8 Cb 0.76 0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.92 1tlm n SER 8 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1tlm n LYS 9 N -0.31 2.91 -2.72 4.33 5.02 -1.26 -4.99 118.16 121.13 1tlm n LYS 9 Ca -0.04 -3.55 -0.40 0.00 -2.02 0.00 0.00 58.31 52.29 1tlm n LYS 9 Cb 0.58 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1tlm n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tlm h PRO 11 N 4.72 0.00 -2.99 0.00 0.13 -1.88 -3.40 132.00 128.59 1tlm h PRO 11 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 1tlm h PRO 11 Cb 1.20 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 1tlm h PRO 11 CO 0.70 0.14 -0.56 -1.17 -0.23 0.00 0.00 178.00 176.87 1tlm s LEU 12 N -7.74 -0.05 0.02 1.56 2.96 -1.26 -1.62 118.68 112.56 1tlm s LEU 12 Ca -0.03 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1tlm s LEU 12 Cb 0.14 0.55 -0.02 0.00 0.50 0.00 0.00 46.19 47.36 1tlm s LEU 12 CO 0.62 -0.22 -0.07 -0.32 -1.32 0.00 0.00 176.35 175.04 1tlm s MET 13 N 2.11 0.50 -0.01 1.98 -2.45 -0.46 -4.48 119.30 116.48 1tlm s MET 13 Ca -0.01 -0.52 0.07 0.00 -1.25 0.00 0.00 55.69 53.99 1tlm s MET 13 Cb -0.12 -0.36 -0.02 0.00 1.25 0.00 0.00 34.83 35.58 1tlm s MET 13 CO -0.07 0.08 -0.22 0.08 1.05 0.00 0.00 175.02 175.94 1tlm s VAL 14 N -0.83 1.72 -0.05 10.11 1.01 -1.06 -0.82 120.40 130.48 1tlm s VAL 14 Ca -0.05 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1tlm s VAL 14 Cb -0.07 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1tlm s VAL 14 CO 0.00 0.44 0.04 -0.75 0.00 0.00 0.00 175.10 174.83 1tlm s LYS 15 N -0.63 0.16 -0.13 2.72 2.20 -0.57 -1.07 119.74 122.43 1tlm s LYS 15 Ca 0.08 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.99 1tlm s LYS 15 Cb -0.08 -0.65 -0.00 0.00 -1.51 0.00 0.00 37.83 35.58 1tlm s LYS 15 CO -0.00 -0.31 -0.19 0.08 -0.36 0.00 0.00 175.35 174.57 1tlm s VAL 16 N 2.03 2.42 0.18 4.02 1.01 0.64 -1.28 120.40 129.42 1tlm s VAL 16 Ca 0.04 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1tlm s VAL 16 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1tlm s VAL 16 CO -0.04 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 1tlm s LEU 17 N 0.53 2.62 -0.37 3.92 1.43 -0.20 -1.19 118.68 125.42 1tlm s LEU 17 Ca -0.12 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 1tlm s LEU 17 Cb -0.17 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1tlm s LEU 17 CO 0.04 0.13 0.19 -0.62 0.23 0.00 0.00 176.35 176.32 1tlm s ASP 18 N -2.61 5.64 0.47 2.29 -1.08 0.25 -1.37 116.67 120.27 1tlm s ASP 18 Ca 0.21 -1.06 0.29 0.00 -0.52 0.00 0.00 52.55 51.47 1tlm s ASP 18 Cb -0.09 -1.99 1.00 0.00 -1.46 0.00 0.00 42.92 40.38 1tlm s ASP 18 CO 0.11 -0.38 1.84 0.00 0.52 0.00 0.00 175.17 177.25 1tlm h ALA 19 N 8.39 1.00 0.14 3.66 0.00 -1.42 -1.43 119.26 129.60 1tlm h ALA 19 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 1tlm h ALA 19 Cb 1.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1tlm h ALA 19 CO 0.66 0.00 -1.39 0.28 0.00 0.00 0.00 179.25 178.80 1tlm h VAL 20 N 0.00 1.34 -0.00 0.00 2.07 -1.95 -3.39 116.25 114.30 1tlm h VAL 20 Ca 0.00 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.61 1tlm h VAL 20 Cb 0.65 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1tlm h VAL 20 CO 0.00 0.85 -0.32 0.54 0.02 0.00 0.00 177.57 178.67 1tlm n ARG 21 N -3.53 2.94 -3.31 1.57 1.74 -1.22 -5.00 116.66 109.84 1tlm n ARG 21 Ca -0.13 -0.32 -0.16 0.00 -0.77 0.00 0.00 57.85 56.47 1tlm n ARG 21 Cb 1.04 -1.01 0.08 0.00 -1.02 0.00 0.00 32.46 31.55 1tlm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tlm n GLY 22 N 1.04 -0.29 3.22 -0.13 0.00 -0.55 -5.02 105.19 103.45 1tlm n GLY 22 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1tlm n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tlm s SER 23 N -4.20 0.17 0.64 1.61 1.04 -1.13 -5.02 113.70 106.81 1tlm s SER 23 Ca 0.02 -1.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.01 1tlm s SER 23 Cb -0.01 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1tlm s SER 23 CO 0.67 -0.83 1.16 -2.16 0.98 0.00 0.00 173.24 173.06 1tlm s PRO 24 N -4.11 2.78 -0.55 4.02 0.04 -1.26 -0.58 135.00 135.34 1tlm s PRO 24 Ca 0.32 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1tlm s PRO 24 Cb 0.06 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.81 1tlm s PRO 24 CO 0.08 -1.31 0.50 0.00 0.04 0.00 0.00 177.00 176.31 1tlm s ALA 25 N -1.97 3.65 0.03 8.56 0.00 -0.33 -4.62 121.76 127.07 1tlm s ALA 25 Ca 0.72 -2.59 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 1tlm s ALA 25 Cb -0.26 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1tlm s ALA 25 CO 0.38 -2.02 0.43 -1.50 0.00 0.00 0.00 175.76 173.05 1tlm s ILE 26 N 1.47 5.00 -0.71 0.00 2.07 -1.26 -4.36 121.20 123.41 1tlm s ILE 26 Ca 0.04 0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 60.08 1tlm s ILE 26 Cb -0.28 -3.72 0.00 0.00 0.13 0.00 0.00 42.46 38.59 1tlm s ILE 26 CO 0.02 0.50 0.12 0.59 -1.91 0.00 0.00 174.94 174.26 1tlm n ASN 27 N 1.57 -3.27 -4.70 4.50 4.13 -0.70 -4.95 115.26 111.84 1tlm n ASN 27 Ca -0.12 -0.06 -0.41 0.00 1.68 0.00 0.00 54.58 55.67 1tlm n ASN 27 Cb 0.52 -2.38 -0.04 0.00 -1.54 0.00 0.00 39.78 36.34 1tlm n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1tlm s VAL 28 N -2.61 4.96 0.14 2.41 1.01 -1.26 -4.76 120.40 120.29 1tlm s VAL 28 Ca 0.06 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1tlm s VAL 28 Cb -0.03 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1tlm s VAL 28 CO 0.07 0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.41 1tlm s ALA 29 N 1.32 3.34 -0.06 5.51 0.00 -1.26 -1.91 121.76 128.69 1tlm s ALA 29 Ca 0.40 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1tlm s ALA 29 Cb -0.18 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1tlm s ALA 29 CO 0.18 -0.20 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1tlm s VAL 30 N 0.02 1.15 -0.11 0.00 1.01 -0.14 -0.36 120.40 121.97 1tlm s VAL 30 Ca 0.50 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1tlm s VAL 30 Cb -0.28 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1tlm s VAL 30 CO 0.33 0.36 -0.21 -1.00 0.00 0.00 0.00 175.10 174.58 1tlm s HIS 31 N 0.61 2.35 -0.07 5.22 3.76 -0.58 -1.20 115.29 125.38 1tlm s HIS 31 Ca -0.14 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 53.76 1tlm s HIS 31 Cb -0.15 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1tlm s HIS 31 CO 0.04 -0.46 -0.15 0.08 -0.85 0.00 0.00 174.74 173.40 1tlm s VAL 32 N 0.60 3.00 0.13 -0.90 1.01 -0.47 -0.48 120.40 123.28 1tlm s VAL 32 Ca -0.14 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1tlm s VAL 32 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1tlm s VAL 32 CO 0.04 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.20 1tlm s PHE 33 N -0.42 1.51 -0.04 5.22 0.40 0.26 -0.86 117.98 124.04 1tlm s PHE 33 Ca 0.05 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1tlm s PHE 33 Cb -0.12 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1tlm s PHE 33 CO 0.02 0.19 -0.24 0.50 0.70 0.00 0.00 175.22 176.39 1tlm s ARG 34 N -2.64 2.30 -0.06 0.44 3.52 -0.40 -0.39 118.95 121.72 1tlm s ARG 34 Ca 0.10 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 1tlm s ARG 34 Cb -0.05 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 1tlm s ARG 34 CO 0.04 0.41 1.33 0.21 -0.81 0.00 0.00 175.30 176.48 1tlm s LYS 35 N -0.27 4.28 0.73 5.12 2.20 0.35 -1.18 119.74 130.97 1tlm s LYS 35 Ca 0.00 1.82 -0.08 0.00 -0.36 0.00 0.00 55.97 57.36 1tlm s LYS 35 Cb -0.12 -3.65 0.16 0.00 -1.51 0.00 0.00 37.83 32.71 1tlm s LYS 35 CO 0.02 -0.59 1.00 0.00 -0.36 0.00 0.00 175.35 175.42 1tlm n ALA 36 N 5.75 -0.66 -0.12 3.13 0.00 0.30 -4.76 120.51 124.14 1tlm n ALA 36 Ca 0.13 -1.54 0.28 0.00 0.00 0.00 0.00 53.44 52.31 1tlm n ALA 36 Cb 0.45 0.08 0.69 0.00 0.00 0.00 0.00 19.45 20.66 1tlm n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tlm h ALA 37 N -1.29 2.67 -0.88 0.00 0.00 -1.94 -1.91 119.26 115.90 1tlm h ALA 37 Ca -0.32 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 1tlm h ALA 37 Cb 1.01 0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.54 1tlm h ALA 37 CO 0.27 -1.16 0.29 -0.40 0.00 0.00 0.00 179.25 178.25 1tlm n ASP 38 N -3.82 6.31 -0.58 0.00 5.68 -1.26 -4.95 116.55 117.93 1tlm n ASP 38 Ca 0.17 -3.77 -0.07 0.00 -0.50 0.00 0.00 54.79 50.62 1tlm n ASP 38 Cb 1.02 -0.76 -0.03 0.00 -1.14 0.00 0.00 41.12 40.22 1tlm n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1tlm n ASP 39 N -0.88 -5.05 -4.86 -1.12 2.03 -0.72 -4.97 116.55 100.98 1tlm n ASP 39 Ca 0.55 0.17 -0.34 0.00 0.52 0.00 0.00 54.79 55.69 1tlm n ASP 39 Cb 0.84 -3.55 -0.06 0.00 -0.72 0.00 0.00 41.12 37.63 1tlm n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1tlm s THR 40 N -1.50 5.21 -0.33 5.18 -1.32 -1.26 -4.85 115.64 116.77 1tlm s THR 40 Ca 0.00 -0.16 -0.27 0.00 -1.21 0.00 0.00 61.69 60.05 1tlm s THR 40 Cb 0.00 -3.38 0.01 0.00 -1.51 0.00 0.00 72.50 67.62 1tlm s THR 40 CO 0.00 0.40 0.98 0.26 -2.21 0.00 0.00 174.62 174.05 1tlm s TRP 41 N -1.22 3.15 -0.06 9.09 0.52 -1.26 0.11 118.94 129.27 1tlm s TRP 41 Ca 0.23 1.02 -0.11 0.00 0.02 0.00 0.00 56.10 57.26 1tlm s TRP 41 Cb -0.12 -3.57 -0.05 0.00 -1.15 0.00 0.00 33.47 28.57 1tlm s TRP 41 CO 0.14 -0.73 0.28 -1.21 0.02 0.00 0.00 176.95 175.45 1tlm s GLU 42 N 3.46 3.70 0.18 4.98 2.02 -0.33 -4.89 118.70 127.82 1tlm s GLU 42 Ca 0.41 0.16 -0.33 0.00 0.02 0.00 0.00 54.97 55.22 1tlm s GLU 42 Cb -0.13 -3.21 -0.14 0.00 0.10 0.00 0.00 34.13 30.76 1tlm s GLU 42 CO 0.15 0.73 1.50 -2.30 0.02 0.00 0.00 175.26 175.36 1tlm n PRO 43 N 1.91 2.01 -0.01 0.39 -0.02 -1.26 -1.28 135.00 136.73 1tlm n PRO 43 Ca -0.17 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1tlm n PRO 43 Cb 0.54 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1tlm n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tlm n PHE 44 N 2.84 0.00 -3.58 6.00 7.35 -0.04 -4.82 117.46 125.20 1tlm n PHE 44 Ca 0.15 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.74 1tlm n PHE 44 Cb 0.29 -0.08 -0.03 0.00 0.35 0.00 0.00 39.48 40.01 1tlm n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tlm s ALA 45 N -2.04 -1.27 0.05 3.13 0.00 -1.05 -5.03 121.76 115.55 1tlm s ALA 45 Ca -0.03 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1tlm s ALA 45 Cb 0.01 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1tlm s ALA 45 CO 0.04 -0.78 0.16 0.45 0.00 0.00 0.00 175.76 175.63 1tlm s SER 46 N -2.81 0.11 -0.05 0.00 0.15 -1.26 -1.37 113.70 108.47 1tlm s SER 46 Ca 0.04 -0.51 -0.18 0.00 0.70 0.00 0.00 55.95 56.00 1tlm s SER 46 Cb -0.01 0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 1tlm s SER 46 CO -0.09 -0.59 0.81 0.61 1.20 0.00 0.00 173.24 175.18 1tlm n GLY 47 N 0.49 0.23 3.10 9.45 0.00 -0.34 -4.98 105.19 113.14 1tlm n GLY 47 Ca -0.18 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 1tlm n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tlm s LYS 48 N -2.00 0.76 0.40 1.61 1.02 -1.26 -0.97 119.74 119.30 1tlm s LYS 48 Ca 0.19 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.24 1tlm s LYS 48 Cb -0.00 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.51 1tlm s LYS 48 CO -0.02 0.17 1.17 0.95 -0.92 0.00 0.00 175.35 176.70 1tlm s THR 49 N -0.90 3.17 0.05 2.17 -4.23 -0.81 -4.75 115.64 110.34 1tlm s THR 49 Ca -0.01 0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1tlm s THR 49 Cb -0.08 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1tlm s THR 49 CO 0.01 0.09 0.07 -1.54 -0.54 0.00 0.00 174.62 172.71 1tlm n SER 50 N 0.10 0.02 0.31 3.99 3.41 -0.34 -1.72 113.62 119.39 1tlm n SER 50 Ca 0.04 -1.04 0.19 0.00 -0.26 0.00 0.00 58.87 57.81 1tlm n SER 50 Cb 0.46 -0.05 0.96 0.00 -0.26 0.00 0.00 64.21 65.32 1tlm n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tlm h GLU 51 N 0.00 0.00 -0.65 4.33 4.39 -1.94 -0.42 114.58 120.29 1tlm h GLU 51 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1tlm h GLU 51 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1tlm h GLU 51 CO 0.02 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 1tlm n SER 52 N -3.19 4.30 -0.03 1.42 3.41 -1.26 -4.83 113.62 113.44 1tlm n SER 52 Ca -0.02 -2.37 -0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1tlm n SER 52 Cb 0.18 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1tlm n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tlm n GLY 53 N 1.11 0.39 3.77 5.00 0.00 -0.17 -4.86 105.19 110.43 1tlm n GLY 53 Ca 0.23 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1tlm n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tlm s GLU 54 N -0.66 2.78 -0.18 1.61 2.02 -1.26 -0.26 118.70 122.74 1tlm s GLU 54 Ca 0.00 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 1tlm s GLU 54 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1tlm s GLU 54 CO 0.00 0.45 0.02 -1.17 0.02 0.00 0.00 175.26 174.58 1tlm s LEU 55 N -3.33 1.19 0.27 1.80 0.20 -0.23 -1.20 118.68 117.38 1tlm s LEU 55 Ca 0.31 -0.74 0.08 0.00 0.69 0.00 0.00 54.13 54.48 1tlm s LEU 55 Cb -0.09 -0.62 -0.04 0.00 -0.43 0.00 0.00 46.19 45.01 1tlm s LEU 55 CO 0.23 -0.28 0.10 -1.00 -0.29 0.00 0.00 176.35 175.10 1tlm s HIS 56 N 1.84 2.86 -0.83 5.38 3.76 -1.26 -2.57 115.29 124.47 1tlm s HIS 56 Ca -0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1tlm s HIS 56 Cb -0.16 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.19 1tlm s HIS 56 CO -0.08 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 1tlm n GLY 57 N -1.04 0.83 0.25 -2.22 0.00 -1.26 -4.96 105.19 96.79 1tlm n GLY 57 Ca -0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1tlm n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tlm h LEU 58 N 0.00 0.86 0.00 0.99 3.38 -1.88 -3.48 115.31 115.18 1tlm h LEU 58 Ca -0.17 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 1tlm h LEU 58 Cb 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1tlm h LEU 58 CO 0.24 1.01 -0.09 1.07 0.09 0.00 0.00 178.44 180.76 1tlm n THR 59 N -4.28 0.00 -4.34 0.22 5.66 -1.26 -4.81 114.28 105.46 1tlm n THR 59 Ca -0.00 -0.58 -0.18 0.00 -3.05 0.00 0.00 64.05 60.23 1tlm n THR 59 Cb 0.37 0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 69.36 1tlm n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tlm s THR 60 N -2.43 1.53 0.22 1.09 -4.23 -1.26 -4.75 115.64 105.80 1tlm s THR 60 Ca 0.10 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 1tlm s THR 60 Cb 0.00 -2.13 0.17 0.00 1.34 0.00 0.00 72.50 71.88 1tlm s THR 60 CO 0.07 -0.53 1.87 -0.33 -0.54 0.00 0.00 174.62 175.16 1tlm h GLU 61 N 2.53 0.98 -0.56 3.99 5.08 -1.97 -2.05 114.58 122.57 1tlm h GLU 61 Ca -0.38 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1tlm h GLU 61 Cb 1.22 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1tlm h GLU 61 CO 0.64 0.65 -0.01 1.49 -1.00 0.00 0.00 179.01 180.77 1tlm h GLU 62 N 1.01 0.98 0.00 2.33 4.57 -2.04 -3.21 114.58 118.22 1tlm h GLU 62 Ca 0.31 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 1tlm h GLU 62 Cb -0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1tlm h GLU 62 CO -0.09 0.97 -0.52 0.37 -1.18 0.00 0.00 179.01 178.55 1tlm h GLN 63 N 0.90 0.00 -4.62 1.92 4.15 -1.93 -3.40 115.11 112.12 1tlm h GLN 63 Ca 0.16 0.00 -0.72 0.00 0.77 0.00 0.00 58.65 58.86 1tlm h GLN 63 Cb 0.54 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.11 1tlm h GLN 63 CO 0.03 0.52 2.07 0.34 -1.93 0.00 0.00 178.83 179.87 1tlm n PHE 64 N -3.35 4.16 -2.13 3.99 7.35 -0.79 -4.97 117.46 121.72 1tlm n PHE 64 Ca 0.01 -3.02 -0.28 0.00 -0.76 0.00 0.00 57.45 53.40 1tlm n PHE 64 Cb 0.68 -2.32 0.15 0.00 0.35 0.00 0.00 39.48 38.34 1tlm n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tlm s VAL 65 N 2.31 2.05 0.52 -2.13 -7.23 -1.26 -4.93 120.40 109.73 1tlm s VAL 65 Ca 0.46 -0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 60.23 1tlm s VAL 65 Cb 0.05 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1tlm s VAL 65 CO 0.01 0.00 1.33 -1.83 -0.31 0.00 0.00 175.10 174.29 1tlm s GLU 66 N -5.64 3.29 0.00 4.82 -1.05 -1.26 -4.76 118.70 114.10 1tlm s GLU 66 Ca 0.71 2.16 0.00 0.00 -0.15 0.00 0.00 54.97 57.69 1tlm s GLU 66 Cb -0.05 -2.31 0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1tlm s GLU 66 CO 0.50 -1.05 0.00 0.41 0.95 0.00 0.00 175.26 176.07 1tlm n GLY 67 N 0.67 -2.23 3.47 -3.83 0.00 -0.92 -5.00 105.19 97.35 1tlm n GLY 67 Ca 0.09 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1tlm n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tlm s ILE 68 N -2.18 4.54 0.14 -0.61 1.01 -1.26 -0.78 121.20 122.06 1tlm s ILE 68 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1tlm s ILE 68 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1tlm s ILE 68 CO 0.00 0.29 -0.19 -0.31 0.00 0.00 0.00 174.94 174.73 1tlm s TYR 69 N 1.64 2.49 -0.14 3.97 1.51 -0.51 -0.50 117.35 125.81 1tlm s TYR 69 Ca 0.06 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1tlm s TYR 69 Cb -0.15 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1tlm s TYR 69 CO 0.05 0.42 -0.14 0.21 -1.11 0.00 0.00 175.55 174.98 1tlm s LYS 70 N -2.33 2.29 -0.29 -0.62 2.20 0.47 -2.16 119.74 119.30 1tlm s LYS 70 Ca 0.19 -0.56 -0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1tlm s LYS 70 Cb -0.10 -2.08 -0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1tlm s LYS 70 CO 0.10 -0.22 0.14 0.08 -0.36 0.00 0.00 175.35 175.10 1tlm s VAL 71 N 1.43 4.65 -0.18 4.02 1.01 0.75 -0.58 120.40 131.50 1tlm s VAL 71 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1tlm s VAL 71 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1tlm s VAL 71 CO -0.10 0.15 -0.09 -0.70 0.00 0.00 0.00 175.10 174.37 1tlm s GLU 72 N 1.64 3.36 -0.17 2.72 2.12 0.37 0.26 118.70 128.99 1tlm s GLU 72 Ca 0.05 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.66 1tlm s GLU 72 Cb -0.16 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1tlm s GLU 72 CO 0.06 -0.03 0.03 0.42 -0.54 0.00 0.00 175.26 175.21 1tlm s ILE 73 N 1.00 4.52 -1.18 -3.70 1.01 0.52 -1.53 121.20 121.83 1tlm s ILE 73 Ca -0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 1tlm s ILE 73 Cb -0.15 -3.01 0.16 0.00 0.01 0.00 0.00 42.46 39.47 1tlm s ILE 73 CO -0.01 0.48 1.42 -0.62 0.00 0.00 0.00 174.94 176.21 1tlm s ASP 74 N 0.28 7.01 0.29 3.58 2.15 0.52 -2.15 116.67 128.34 1tlm s ASP 74 Ca 0.02 -2.85 0.05 0.00 0.43 0.00 0.00 52.55 50.20 1tlm s ASP 74 Cb -0.13 -2.41 0.45 0.00 -0.30 0.00 0.00 42.92 40.52 1tlm s ASP 74 CO 0.01 -0.81 1.71 0.71 -0.17 0.00 0.00 175.17 176.61 1tlm h THR 75 N 4.86 1.30 -0.38 1.71 1.35 -1.87 -3.28 112.91 116.60 1tlm h THR 75 Ca 0.31 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1tlm h THR 75 Cb 0.89 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 1tlm h THR 75 CO 1.25 0.44 0.09 0.50 -0.25 0.00 0.00 175.52 177.54 1tlm h LYS 76 N 0.25 0.61 -0.76 4.72 3.64 -1.77 -2.33 116.57 120.93 1tlm h LYS 76 Ca 0.03 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1tlm h LYS 76 Cb 0.78 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1tlm h LYS 76 CO 0.06 0.65 0.45 0.77 -2.27 0.00 0.00 179.45 179.11 1tlm h SER 77 N 0.47 0.92 0.47 4.20 0.02 -1.87 -2.03 113.55 115.72 1tlm h SER 77 Ca 0.12 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1tlm h SER 77 Cb 0.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1tlm h SER 77 CO 0.00 0.71 -0.22 0.22 -1.14 0.00 0.00 176.83 176.40 1tlm h TYR 78 N 1.05 -0.58 -0.62 3.45 3.20 -1.57 -2.56 116.97 119.34 1tlm h TYR 78 Ca 0.27 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1tlm h TYR 78 Cb -0.03 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1tlm h TYR 78 CO 0.00 -0.32 0.09 -1.49 -1.64 0.00 0.00 178.16 174.80 1tlm h TRP 79 N -0.71 1.11 -0.97 -3.82 4.06 -1.34 -3.15 115.95 111.14 1tlm h TRP 79 Ca -0.06 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 60.74 1tlm h TRP 79 Cb 0.52 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 1tlm h TRP 79 CO -0.03 0.95 0.64 0.87 -3.56 0.00 0.00 178.44 177.32 1tlm h LYS 80 N 0.95 1.27 0.00 0.49 1.57 -0.79 -0.98 116.57 119.08 1tlm h LYS 80 Ca 0.19 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1tlm h LYS 80 Cb 0.45 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1tlm h LYS 80 CO 0.02 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.74 1tlm n ALA 81 N -2.37 1.60 1.08 3.86 0.00 -0.97 -0.95 120.51 122.76 1tlm n ALA 81 Ca 0.11 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1tlm n ALA 81 Cb 0.01 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.19 1tlm n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tlm n LEU 82 N -2.26 1.63 0.00 0.00 4.32 -0.96 -4.96 117.00 114.76 1tlm n LEU 82 Ca 0.02 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1tlm n LEU 82 Cb 0.21 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1tlm n LEU 82 CO 0.19 0.31 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 1tlm n GLY 83 N 1.40 0.71 3.45 -0.72 0.00 -0.13 -5.05 105.19 104.86 1tlm n GLY 83 Ca 0.10 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1tlm n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tlm s ILE 84 N -2.00 3.25 -0.53 -0.61 1.01 -0.41 -4.99 121.20 116.91 1tlm s ILE 84 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1tlm s ILE 84 Cb 0.00 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.22 1tlm s ILE 84 CO 0.00 0.55 0.60 -0.55 0.00 0.00 0.00 174.94 175.55 1tlm s SER 85 N -0.16 6.19 0.72 3.58 0.15 -1.26 -2.08 113.70 120.84 1tlm s SER 85 Ca 0.00 -1.23 -0.04 0.00 0.70 0.00 0.00 55.95 55.38 1tlm s SER 85 Cb -0.13 -2.27 0.10 0.00 -1.71 0.00 0.00 66.02 62.01 1tlm s SER 85 CO 0.03 -0.92 1.00 -2.16 1.20 0.00 0.00 173.24 172.39 1tlm s PRO 86 N 2.40 1.82 -0.06 5.44 0.04 -1.26 -5.03 135.00 138.35 1tlm s PRO 86 Ca 0.11 -0.75 -0.19 0.00 0.04 0.00 0.00 61.00 60.21 1tlm s PRO 86 Cb -0.23 -2.26 -0.14 0.00 0.04 0.00 0.00 34.50 31.92 1tlm s PRO 86 CO 0.08 -1.39 0.76 0.35 0.04 0.00 0.00 177.00 176.84 1tlm h PHE 87 N -0.58 -0.22 -4.13 0.56 3.57 -1.79 -3.47 116.94 110.87 1tlm h PHE 87 Ca -0.40 -0.01 -0.46 0.00 3.53 0.00 0.00 57.97 60.63 1tlm h PHE 87 Cb 1.28 0.07 0.01 0.00 2.79 0.00 0.00 35.95 40.10 1tlm h PHE 87 CO -0.09 0.17 0.37 -1.01 -2.23 0.00 0.00 178.31 175.52 1tlm s HIS 88 N -3.19 3.26 0.06 0.41 3.76 -1.26 -5.00 115.29 113.33 1tlm s HIS 88 Ca -0.11 1.54 -0.09 0.00 -0.15 0.00 0.00 55.06 56.25 1tlm s HIS 88 Cb 0.00 -2.89 -0.31 0.00 1.11 0.00 0.00 32.58 30.50 1tlm s HIS 88 CO 0.41 -0.46 1.09 0.93 -0.85 0.00 0.00 174.74 175.86 1tlm h GLU 89 N 1.30 0.39 -2.42 1.40 4.39 -1.99 -3.39 114.58 114.26 1tlm h GLU 89 Ca -0.48 -0.66 0.18 0.00 0.34 0.00 0.00 59.36 58.74 1tlm h GLU 89 Cb 1.19 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 30.04 1tlm h GLU 89 CO 0.60 1.31 0.59 -3.38 -1.16 0.00 0.00 179.01 176.97 1tlm s HIS 90 N -2.66 0.02 -0.10 4.33 -3.43 -1.26 -3.82 115.29 108.37 1tlm s HIS 90 Ca -0.06 -0.38 0.01 0.00 -0.80 0.00 0.00 55.06 53.83 1tlm s HIS 90 Cb 0.06 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.86 1tlm s HIS 90 CO 0.91 -0.85 -0.13 0.00 -2.00 0.00 0.00 174.74 172.67 1tlm s ALA 91 N -2.41 2.65 -0.01 -1.38 0.00 -0.92 -4.90 121.76 114.79 1tlm s ALA 91 Ca 0.20 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1tlm s ALA 91 Cb -0.02 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1tlm s ALA 91 CO 0.04 0.37 -0.14 -2.00 0.00 0.00 0.00 175.76 174.03 1tlm s GLU 92 N -0.07 1.12 -0.13 0.00 2.12 -1.26 -0.36 118.70 120.13 1tlm s GLU 92 Ca -0.02 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1tlm s GLU 92 Cb -0.14 -1.08 0.02 0.00 0.26 0.00 0.00 34.13 33.19 1tlm s GLU 92 CO 0.04 0.30 -0.12 0.08 -0.54 0.00 0.00 175.26 175.01 1tlm s VAL 93 N -0.34 1.37 -0.14 3.70 1.01 0.14 -4.96 120.40 121.19 1tlm s VAL 93 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1tlm s VAL 93 Cb -0.05 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1tlm s VAL 93 CO -0.00 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.65 1tlm s VAL 94 N 1.41 2.48 0.01 2.92 1.01 -1.26 -0.18 120.40 126.80 1tlm s VAL 94 Ca 0.02 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 1tlm s VAL 94 Cb -0.13 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.29 1tlm s VAL 94 CO -0.07 0.53 0.60 0.72 0.00 0.00 0.00 175.10 176.88 1tlm s PHE 95 N 0.63 -0.54 0.02 5.22 -0.71 -0.92 -5.01 117.98 116.67 1tlm s PHE 95 Ca -0.10 0.76 -0.26 0.00 -1.04 0.00 0.00 56.93 56.29 1tlm s PHE 95 Cb -0.16 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1tlm s PHE 95 CO 0.03 -0.64 0.83 0.99 -1.34 0.00 0.00 175.22 175.08 1tlm s THR 96 N -1.95 4.79 0.17 -4.49 2.01 -1.26 -1.43 115.64 113.48 1tlm s THR 96 Ca -0.08 1.75 0.10 0.00 0.31 0.00 0.00 61.69 63.77 1tlm s THR 96 Cb -0.01 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1tlm s THR 96 CO 0.03 0.29 -0.22 0.00 -0.69 0.00 0.00 174.62 174.03 1tlm s ALA 97 N 0.35 2.27 -1.04 7.40 0.00 0.04 -4.86 121.76 125.92 1tlm s ALA 97 Ca 0.42 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1tlm s ALA 97 Cb -0.20 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1tlm s ALA 97 CO 0.24 0.38 0.08 0.09 0.00 0.00 0.00 175.76 176.54 1tlm n ASN 98 N 0.46 -3.77 -0.34 0.00 3.02 -1.26 -2.17 115.26 111.20 1tlm n ASN 98 Ca -0.14 0.13 0.19 0.00 -0.03 0.00 0.00 54.58 54.73 1tlm n ASN 98 Cb 0.56 -3.20 0.42 0.00 -0.61 0.00 0.00 39.78 36.95 1tlm n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1tlm h ASP 99 N -0.15 0.61 -1.12 6.41 3.58 -1.93 -2.99 116.42 120.82 1tlm h ASP 99 Ca -0.30 0.13 -0.39 0.00 0.42 0.00 0.00 57.03 56.89 1tlm h ASP 99 Cb 1.22 0.04 -0.40 0.00 1.72 0.00 0.00 39.33 41.90 1tlm h ASP 99 CO 0.36 0.08 -1.15 -1.54 -2.88 0.00 0.00 179.24 174.11 1tlm n SER 100 N -4.83 1.77 0.00 2.28 3.41 -1.26 -5.10 113.62 109.89 1tlm n SER 100 Ca 0.27 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1tlm n SER 100 Cb 0.80 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1tlm n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tlm n GLY 101 N -0.09 -0.88 3.76 5.00 0.00 -1.13 -4.99 105.19 106.87 1tlm n GLY 101 Ca 0.13 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1tlm n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tlm s PRO 102 N -1.02 4.27 0.12 1.61 0.02 -1.26 -4.28 135.00 134.46 1tlm s PRO 102 Ca 0.00 2.33 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 1tlm s PRO 102 Cb 0.00 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 1tlm s PRO 102 CO 0.00 -0.36 0.14 1.03 -0.33 0.00 0.00 177.00 177.47 1tlm s ARG 103 N -1.16 0.92 -0.13 5.54 1.81 -1.26 -4.50 118.95 120.17 1tlm s ARG 103 Ca 0.55 -1.21 -0.03 0.00 -1.72 0.00 0.00 55.73 53.31 1tlm s ARG 103 Cb -0.42 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 1tlm s ARG 103 CO 0.50 -0.28 -0.02 1.03 -0.68 0.00 0.00 175.30 175.85 1tlm s ARG 104 N -3.96 3.45 -0.13 3.54 0.52 0.49 -4.83 118.95 118.03 1tlm s ARG 104 Ca 0.15 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1tlm s ARG 104 Cb 0.06 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1tlm s ARG 104 CO -0.04 0.40 -0.21 0.71 0.02 0.00 0.00 175.30 176.18 1tlm s TYR 105 N -0.06 2.65 -0.23 -0.53 2.02 -0.64 -1.26 117.35 119.29 1tlm s TYR 105 Ca 0.02 -1.17 -0.02 0.00 -0.37 0.00 0.00 57.07 55.54 1tlm s TYR 105 Cb -0.13 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1tlm s TYR 105 CO 0.02 -0.51 -0.07 0.99 -1.57 0.00 0.00 175.55 174.42 1tlm s THR 106 N 0.62 2.90 -0.26 -0.71 2.01 0.17 -1.35 115.64 119.01 1tlm s THR 106 Ca -0.11 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1tlm s THR 106 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1tlm s THR 106 CO 0.03 0.29 0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 1tlm s ILE 107 N 1.36 4.93 0.03 1.82 -1.09 0.00 -1.51 121.20 126.74 1tlm s ILE 107 Ca 0.02 0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1tlm s ILE 107 Cb -0.16 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1tlm s ILE 107 CO -0.05 0.30 -0.06 0.00 -1.23 0.00 0.00 174.94 173.90 1tlm s ALA 108 N 1.60 3.06 -0.03 9.38 0.00 -0.04 -1.51 121.76 134.23 1tlm s ALA 108 Ca 0.07 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1tlm s ALA 108 Cb -0.15 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1tlm s ALA 108 CO 0.07 0.63 -0.14 0.00 0.00 0.00 0.00 175.76 176.33 1tlm s ALA 109 N -1.08 1.24 -0.17 0.00 0.00 -0.40 -1.23 121.76 120.11 1tlm s ALA 109 Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1tlm s ALA 109 Cb -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1tlm s ALA 109 CO 0.10 0.24 -0.19 -1.17 0.00 0.00 0.00 175.76 174.75 1tlm s LEU 110 N -0.03 2.21 -0.08 0.00 2.96 -0.40 -1.03 118.68 122.32 1tlm s LEU 110 Ca -0.01 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1tlm s LEU 110 Cb -0.09 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1tlm s LEU 110 CO 0.01 0.02 0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 1tlm s LEU 111 N 1.17 3.64 0.10 -0.68 1.43 -0.47 -1.80 118.68 122.06 1tlm s LEU 111 Ca 0.02 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1tlm s LEU 111 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1tlm s LEU 111 CO -0.09 0.37 -0.01 -0.44 0.23 0.00 0.00 176.35 176.41 1tlm s SER 112 N -0.98 0.72 0.27 2.29 0.01 0.57 -1.14 113.70 115.43 1tlm s SER 112 Ca 0.14 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.30 1tlm s SER 112 Cb -0.11 0.18 0.38 0.00 0.21 0.00 0.00 66.02 66.68 1tlm s SER 112 CO 0.03 -0.59 1.90 -0.65 0.41 0.00 0.00 173.24 174.34 1tlm h PRO 113 N 2.97 1.18 -0.14 12.44 0.11 -1.99 -2.97 132.00 143.59 1tlm h PRO 113 Ca -0.35 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1tlm h PRO 113 Cb 1.17 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1tlm h PRO 113 CO 0.64 0.78 -0.05 0.66 -0.21 0.00 0.00 178.00 179.82 1tlm n TYR 114 N -4.46 0.50 -3.56 0.65 4.02 -1.26 -2.09 117.16 110.95 1tlm n TYR 114 Ca 0.14 -1.06 -0.17 0.00 -0.01 0.00 0.00 57.90 56.80 1tlm n TYR 114 Cb 0.13 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1tlm n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tlm s SER 115 N -2.50 -0.61 -0.03 7.72 0.15 -1.12 -4.96 113.70 112.34 1tlm s SER 115 Ca 0.38 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.57 1tlm s SER 115 Cb 0.33 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1tlm s SER 115 CO 0.04 -0.55 0.39 -0.72 1.20 0.00 0.00 173.24 173.60 1tlm s TYR 116 N -1.03 -0.28 0.17 3.44 -0.85 -1.26 -0.32 117.35 117.22 1tlm s TYR 116 Ca -0.10 0.46 0.11 0.00 -0.52 0.00 0.00 57.07 57.02 1tlm s TYR 116 Cb -0.01 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1tlm s TYR 116 CO 0.08 -0.43 -0.24 -1.54 -1.52 0.00 0.00 175.55 171.91 1tlm s SER 117 N -1.24 3.24 -0.00 -0.18 1.04 -0.75 -4.99 113.70 110.81 1tlm s SER 117 Ca -0.13 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.50 1tlm s SER 117 Cb -0.04 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 1tlm s SER 117 CO 0.05 0.11 -0.04 0.28 0.98 0.00 0.00 173.24 174.63 1tlm s THR 118 N -1.51 0.30 0.06 2.02 -1.32 -1.26 -1.28 115.64 112.66 1tlm s THR 118 Ca 0.17 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1tlm s THR 118 Cb -0.08 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1tlm s THR 118 CO 0.08 0.09 -0.06 0.28 -2.21 0.00 0.00 174.62 172.80 1tlm s THR 119 N -0.04 0.48 -0.01 5.08 -1.32 -0.37 -4.98 115.64 114.49 1tlm s THR 119 Ca 0.01 -1.45 0.06 0.00 -1.21 0.00 0.00 61.69 59.11 1tlm s THR 119 Cb -0.02 -1.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1tlm s THR 119 CO -0.00 -0.65 -0.20 0.00 -2.21 0.00 0.00 174.62 171.55 1tlm s ALA 120 N -2.51 1.67 -0.17 11.08 0.00 -1.26 -0.86 121.76 129.71 1tlm s ALA 120 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1tlm s ALA 120 Cb -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1tlm s ALA 120 CO -0.03 0.41 -0.17 0.08 0.00 0.00 0.00 175.76 176.04 1tlm s VAL 121 N -0.51 1.88 -0.20 0.00 1.01 -0.57 -4.98 120.40 117.04 1tlm s VAL 121 Ca 0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1tlm s VAL 121 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1tlm s VAL 121 CO -0.00 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1tlm s VAL 122 N 1.35 3.16 0.11 2.92 1.01 -1.26 -0.66 120.40 127.03 1tlm s VAL 122 Ca 0.04 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1tlm s VAL 122 Cb -0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1tlm s VAL 122 CO -0.12 0.45 -0.17 0.42 0.00 0.00 0.00 175.10 175.69 1tlm s THR 123 N 1.28 1.50 -0.60 3.92 -4.23 -0.39 -4.95 115.64 112.17 1tlm s THR 123 Ca 0.03 -1.60 -0.21 0.00 -1.18 0.00 0.00 61.69 58.74 1tlm s THR 123 Cb -0.14 -1.49 0.08 0.00 1.34 0.00 0.00 72.50 72.29 1tlm s THR 123 CO -0.03 -0.23 0.80 0.21 -0.54 0.00 0.00 174.62 174.82 1tlm s ASN 124 N -2.14 6.20 -0.49 3.99 3.84 -1.26 -0.38 114.94 124.69 1tlm s ASN 124 Ca 0.07 -1.13 -0.47 0.00 0.21 0.00 0.00 52.86 51.54 1tlm s ASN 124 Cb -0.08 -2.35 -0.20 0.00 -0.55 0.00 0.00 41.25 38.07 1tlm s ASN 124 CO 0.04 -1.20 1.62 -0.81 -2.79 0.00 0.00 177.10 173.96 1tlm n PRO 125 N 6.85 0.03 -3.70 0.43 -0.04 -1.26 -2.26 135.00 135.05 1tlm n PRO 125 Ca -0.06 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.36 1tlm n PRO 125 Cb 0.44 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1tlm n PRO 125 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1tlm n LYS 126 N 4.14 -0.98 0.00 0.54 4.81 -1.26 -5.10 118.16 120.31 1tlm n LYS 126 Ca 0.32 -0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1tlm n LYS 126 Cb -0.05 0.55 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1tlm n LYS 126 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72