#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm h SER 2 N 0.00 0.00 -4.51 1.61 0.02 -2.14 -3.47 113.55 105.06 1udm h SER 2 Ca 0.00 -0.64 -0.48 0.00 -0.84 0.00 0.00 61.79 59.83 1udm h SER 2 Cb 0.00 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.64 1udm h SER 2 CO 0.00 1.01 0.39 -1.83 -1.14 0.00 0.00 176.83 175.26 1udm s GLU 3 N -2.14 2.14 0.00 3.45 1.03 -1.26 -5.01 118.70 116.92 1udm s GLU 3 Ca -0.18 0.28 0.00 0.00 0.03 0.00 0.00 54.97 55.10 1udm s GLU 3 Cb -0.00 -1.96 0.00 0.00 -0.80 0.00 0.00 34.13 31.37 1udm s GLU 3 CO 0.51 -1.50 0.00 0.41 -1.33 0.00 0.00 175.26 173.35 1udm n GLY 4 N -3.00 -1.11 2.92 -3.83 0.00 -1.26 -5.18 105.19 93.73 1udm n GLY 4 Ca 0.07 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 5 N 0.00 -0.11 -0.02 4.61 0.00 -1.26 -5.15 121.76 119.82 1udm s ALA 5 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 1udm s ALA 5 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1udm s ALA 5 CO 0.00 -0.02 0.42 0.00 0.00 0.00 0.00 175.76 176.15 1udm s ALA 6 N 0.00 3.66 0.49 0.00 0.00 -1.26 -5.09 121.76 119.55 1udm s ALA 6 Ca -0.00 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1udm s ALA 6 Cb -0.00 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1udm s ALA 6 CO 0.00 0.39 0.66 0.95 0.00 0.00 0.00 175.76 177.76 1udm s THR 7 N -0.74 2.70 -0.23 0.00 -4.23 -1.26 -5.06 115.64 106.82 1udm s THR 7 Ca 0.24 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.63 1udm s THR 7 Cb -0.16 -2.75 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 1udm s THR 7 CO 0.13 0.00 0.02 0.80 -0.54 0.00 0.00 174.62 175.03 1udm n MET 8 N -2.04 0.60 -1.34 3.99 0.00 -1.26 -4.98 117.12 112.09 1udm n MET 8 Ca 0.10 0.42 -0.29 0.00 -0.00 0.00 0.00 57.70 57.94 1udm n MET 8 Cb 0.60 -1.65 0.19 0.00 0.00 0.00 0.00 33.22 32.36 1udm n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1udm s ALA 9 N -2.44 1.21 -0.19 -5.12 0.00 -1.26 -5.09 121.76 108.87 1udm s ALA 9 Ca -0.32 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1udm s ALA 9 Cb 0.09 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1udm s ALA 9 CO 0.58 -2.91 0.58 0.99 0.00 0.00 0.00 175.76 174.99 1udm s THR 10 N -3.19 0.00 0.35 0.00 2.01 -1.26 -5.00 115.64 108.55 1udm s THR 10 Ca 0.68 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.74 1udm s THR 10 Cb -0.12 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 1udm s THR 10 CO 0.55 -0.01 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.88 1udm s LYS 11 N 0.08 1.92 0.08 4.92 -0.14 -1.12 -5.03 119.74 120.45 1udm s LYS 11 Ca -0.02 -1.91 0.06 0.00 -1.36 0.00 0.00 55.97 52.74 1udm s LYS 11 Cb -0.04 -1.77 -0.03 0.00 -1.68 0.00 0.00 37.83 34.32 1udm s LYS 11 CO 0.02 0.11 -0.15 -1.50 -0.76 0.00 0.00 175.35 173.06 1udm s ILE 12 N -2.60 1.23 -0.45 2.17 2.07 -1.26 -0.42 121.20 121.95 1udm s ILE 12 Ca 0.34 -1.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.16 1udm s ILE 12 Cb 0.03 -1.21 0.19 0.00 0.13 0.00 0.00 42.46 41.60 1udm s ILE 12 CO 0.18 -0.23 2.31 0.47 -1.91 0.00 0.00 174.94 175.76 1udm n ASP 13 N 1.15 6.69 -0.04 4.50 9.92 -0.26 -4.78 116.55 133.73 1udm n ASP 13 Ca -0.20 -3.26 0.01 0.00 -0.53 0.00 0.00 54.79 50.81 1udm n ASP 13 Cb 0.54 -1.12 0.02 0.00 -0.64 0.00 0.00 41.12 39.93 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1udm n LYS 14 N 0.34 -0.01 0.30 -1.24 5.02 -1.26 0.22 118.16 121.53 1udm n LYS 14 Ca 0.43 0.16 -0.16 0.00 -2.02 0.00 0.00 58.31 56.72 1udm n LYS 14 Cb 0.56 -0.25 -0.09 0.00 -0.02 0.00 0.00 35.03 35.23 1udm n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1udm h GLU 15 N 0.00 -0.91 -0.14 1.97 5.08 -1.99 0.35 114.58 118.94 1udm h GLU 15 Ca 0.05 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1udm h GLU 15 Cb 0.09 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1udm h GLU 15 CO -0.11 -0.61 -0.12 0.00 -1.00 0.00 0.00 179.01 177.17 1udm h ALA 16 N -1.10 1.55 0.41 3.43 0.00 0.23 -3.08 119.26 120.70 1udm h ALA 16 Ca -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1udm h ALA 16 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1udm h ALA 16 CO -0.01 0.33 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 1udm h ARG 18 N -0.83 0.00 0.06 0.00 2.43 -0.22 0.59 114.38 116.42 1udm h ARG 18 Ca -0.06 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1udm h ARG 18 Cb 0.55 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1udm h ARG 18 CO 0.09 0.00 -0.10 0.00 -1.51 0.00 0.00 179.97 178.46 1udm h ALA 19 N 2.00 -0.16 -0.34 2.80 0.00 -1.57 -0.12 119.26 121.87 1udm h ALA 19 Ca 0.81 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.68 1udm h ALA 19 Cb 2.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 1udm h ALA 19 CO -0.79 -0.61 0.10 0.00 0.00 0.00 0.00 179.25 177.94 1udm h ALA 20 N 0.72 0.44 0.00 0.00 0.00 0.07 0.18 119.26 120.67 1udm h ALA 20 Ca 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1udm h ALA 20 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1udm h ALA 20 CO -0.06 0.09 -0.01 -0.92 0.00 0.00 0.00 179.25 178.35 1udm h TYR 21 N 0.39 0.00 0.08 0.00 3.20 -0.82 -2.65 116.97 117.16 1udm h TYR 21 Ca 0.11 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.64 1udm h TYR 21 Cb 0.27 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1udm h TYR 21 CO 0.01 0.01 -1.89 0.09 -1.64 0.00 0.00 178.16 174.75 1udm n ASN 22 N -3.25 2.04 0.23 -2.11 3.02 -0.08 -2.38 115.26 112.73 1udm n ASN 22 Ca -0.02 0.24 0.08 0.00 -0.03 0.00 0.00 54.58 54.84 1udm n ASN 22 Cb 0.13 -0.85 0.43 0.00 -0.61 0.00 0.00 39.78 38.88 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N -0.24 0.00 0.00 3.41 -0.00 -0.30 0.34 115.31 118.52 1udm h LEU 23 Ca -0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.30 1udm h LEU 23 Cb 1.83 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.46 1udm h LEU 23 CO -0.02 0.00 -1.57 0.55 -0.00 0.00 0.00 178.44 177.39 1udm n VAL 24 N -2.30 0.58 0.15 1.22 3.14 -1.19 -3.59 118.33 116.33 1udm n VAL 24 Ca -0.01 -0.25 0.01 0.00 -2.96 0.00 0.00 64.34 61.13 1udm n VAL 24 Cb 0.43 -0.84 0.33 0.00 -1.06 0.00 0.00 33.84 32.70 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1udm h ARG 25 N 0.00 0.11 -7.13 1.45 2.43 -0.75 -3.45 114.38 107.05 1udm h ARG 25 Ca -0.23 -0.04 -0.43 0.00 -0.81 0.00 0.00 59.98 58.47 1udm h ARG 25 Cb 1.39 -0.01 0.22 0.00 -0.42 0.00 0.00 29.97 31.15 1udm h ARG 25 CO -0.02 0.43 -0.01 0.34 -1.51 0.00 0.00 179.97 179.19 1udm s ASP 26 N -6.91 0.72 0.07 -3.80 2.15 0.11 -4.94 116.67 104.06 1udm s ASP 26 Ca -0.04 1.50 -0.34 0.00 0.43 0.00 0.00 52.55 54.10 1udm s ASP 26 Cb 0.14 -2.31 -0.17 0.00 -0.30 0.00 0.00 42.92 40.28 1udm s ASP 26 CO 0.74 -4.36 1.52 0.44 -0.17 0.00 0.00 175.17 173.34 1udm h ASP 27 N -2.73 -1.21 -0.88 -0.34 5.19 -1.89 -3.41 116.42 111.16 1udm h ASP 27 Ca -0.63 0.08 -0.33 0.00 -0.62 0.00 0.00 57.03 55.52 1udm h ASP 27 Cb 1.34 0.37 -0.23 0.00 0.18 0.00 0.00 39.33 40.99 1udm h ASP 27 CO 0.50 -0.68 -0.70 0.61 -3.12 0.00 0.00 179.24 175.85 1udm n GLY 28 N -1.56 0.89 0.64 2.75 0.00 -1.26 -4.96 105.19 101.68 1udm n GLY 28 Ca -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1udm n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1udm n SER 29 N 1.86 1.48 -0.41 1.61 7.64 -1.26 -4.79 113.62 119.76 1udm n SER 29 Ca 0.15 -2.10 -0.05 0.00 1.01 0.00 0.00 58.87 57.88 1udm n SER 29 Cb 0.58 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1udm n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1udm n ALA 30 N 0.06 -0.08 -3.76 -0.43 0.00 -1.26 -4.96 120.51 110.08 1udm n ALA 30 Ca 0.03 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 1udm n ALA 30 Cb 0.35 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 1udm n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1udm s VAL 31 N -1.96 -0.07 -0.32 0.00 1.01 -1.24 -3.41 120.40 114.43 1udm s VAL 31 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1udm s VAL 31 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.18 1udm s VAL 31 CO 0.00 0.10 0.31 2.30 0.00 0.00 0.00 175.10 177.81 1udm n ILE 32 N 4.31 0.00 -3.86 2.22 -5.35 -1.07 -3.85 119.36 111.76 1udm n ILE 32 Ca -0.25 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 61.82 1udm n ILE 32 Cb 0.50 0.91 -0.11 0.00 -1.74 0.00 0.00 39.64 39.20 1udm n ILE 32 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1udm s TRP 33 N -1.85 -0.02 -0.12 4.28 1.48 -1.11 -0.34 118.94 121.28 1udm s TRP 33 Ca 0.02 0.04 -0.06 0.00 -1.06 0.00 0.00 56.10 55.04 1udm s TRP 33 Cb 0.06 -0.02 0.05 0.00 -1.16 0.00 0.00 33.47 32.40 1udm s TRP 33 CO 0.32 -0.18 0.27 0.14 -4.06 0.00 0.00 176.95 173.44 1udm s VAL 34 N -0.77 -0.04 0.21 -0.66 -7.23 0.73 -3.30 120.40 109.35 1udm s VAL 34 Ca -0.09 0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.26 1udm s VAL 34 Cb -0.05 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1udm s VAL 34 CO 0.01 0.06 0.34 0.42 -0.31 0.00 0.00 175.10 175.61 1udm s THR 35 N 1.26 5.28 -0.35 5.32 -4.23 -1.13 0.74 115.64 122.52 1udm s THR 35 Ca -0.09 -0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1udm s THR 35 Cb -0.10 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 70.03 1udm s THR 35 CO -0.09 -0.26 0.16 -0.36 -0.54 0.00 0.00 174.62 173.53 1udm s PHE 36 N -1.91 1.36 0.46 3.99 0.40 0.10 0.34 117.98 122.73 1udm s PHE 36 Ca 0.34 -1.75 0.08 0.00 -0.60 0.00 0.00 56.93 55.01 1udm s PHE 36 Cb -0.10 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1udm s PHE 36 CO 0.29 -0.84 0.63 -0.98 0.70 0.00 0.00 175.22 175.02 1udm s ARG 37 N 1.27 2.69 0.07 0.44 1.70 -0.02 -2.36 118.95 122.74 1udm s ARG 37 Ca 0.13 -1.34 -0.13 0.00 -0.47 0.00 0.00 55.73 53.93 1udm s ARG 37 Cb -0.20 -2.73 -0.06 0.00 -0.57 0.00 0.00 34.95 31.39 1udm s ARG 37 CO -0.15 -0.43 0.44 0.71 -1.08 0.00 0.00 175.30 174.79 1udm s TYR 38 N -2.44 3.65 -0.25 5.89 1.51 -1.26 0.13 117.35 124.58 1udm s TYR 38 Ca 0.57 0.94 0.10 0.00 -1.01 0.00 0.00 57.07 57.66 1udm s TYR 38 Cb -0.09 -2.26 0.22 0.00 -0.11 0.00 0.00 41.96 39.72 1udm s TYR 38 CO 0.35 0.54 1.16 -3.47 -1.11 0.00 0.00 175.55 173.02 1udm n ASP 39 N 1.22 2.57 0.00 2.29 2.03 -0.60 -4.92 116.55 119.15 1udm n ASP 39 Ca -0.09 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1udm n ASP 39 Cb 0.52 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1udm n GLY 40 N -0.55 0.58 2.30 0.27 0.00 -1.26 -4.83 105.19 101.71 1udm n GLY 40 Ca 0.10 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 -0.21 -3.65 4.61 0.00 -1.26 -4.98 120.51 115.02 1udm n ALA 41 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 1udm n ALA 41 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.45 -0.81 0.31 0.00 2.01 -1.26 -2.79 115.64 110.65 1udm s THR 42 Ca 0.00 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1udm s THR 42 Cb 0.00 -0.89 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1udm s THR 42 CO 0.00 0.02 1.23 -0.63 -0.69 0.00 0.00 174.62 174.55 1udm s ILE 43 N 2.70 3.01 -0.04 1.82 1.01 0.44 -1.55 121.20 128.60 1udm s ILE 43 Ca -0.05 1.02 -0.23 0.00 0.00 0.00 0.00 60.65 61.39 1udm s ILE 43 Cb -0.11 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.75 1udm s ILE 43 CO -0.17 0.24 0.49 0.68 0.00 0.00 0.00 174.94 176.18 1udm s VAL 44 N -1.11 0.03 -0.17 2.92 -7.23 0.12 -1.11 120.40 113.84 1udm s VAL 44 Ca 0.47 -0.24 -0.37 0.00 -1.81 0.00 0.00 61.98 60.04 1udm s VAL 44 Cb -0.37 -0.80 -0.13 0.00 0.56 0.00 0.00 36.38 35.64 1udm s VAL 44 CO 0.48 -0.13 1.82 -2.65 -0.31 0.00 0.00 175.10 174.32 1udm n PRO 45 N 1.14 1.73 0.00 4.82 -0.02 -1.26 -0.84 135.00 140.57 1udm n PRO 45 Ca -0.20 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1udm n PRO 45 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1udm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1udm n GLY 46 N 4.32 1.80 4.02 -1.23 0.00 0.15 -4.76 105.19 109.49 1udm n GLY 46 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 5.16 0.07 1.61 1.11 -1.26 -4.93 116.67 117.43 1udm s ASP 47 Ca 0.00 -0.67 -0.25 0.00 0.18 0.00 0.00 52.55 51.81 1udm s ASP 47 Cb 0.00 0.00 0.07 0.00 1.07 0.00 0.00 42.92 44.06 1udm s ASP 47 CO 0.00 -1.25 0.61 -1.10 1.18 0.00 0.00 175.17 174.60 1udm s GLN 48 N -4.64 1.16 0.00 8.23 -0.21 -1.26 -2.86 119.66 120.08 1udm s GLN 48 Ca 0.61 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.79 1udm s GLN 48 Cb -0.07 0.54 0.00 0.00 1.00 0.00 0.00 33.01 34.48 1udm s GLN 48 CO 0.38 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1udm n GLY 49 N 0.18 2.72 0.07 3.09 0.00 -1.21 -4.98 105.19 105.07 1udm n GLY 49 Ca -0.18 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -1.07 2.89 -2.68 4.61 0.00 -1.22 -2.59 120.51 120.45 1udm n ALA 50 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1udm n ALA 50 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 1udm n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udm s ASP 51 N -4.56 6.28 0.58 0.00 2.15 -1.26 -4.57 116.67 115.29 1udm s ASP 51 Ca 0.03 -0.48 0.28 0.00 0.43 0.00 0.00 52.55 52.81 1udm s ASP 51 Cb 0.12 -2.47 1.54 0.00 -0.30 0.00 0.00 42.92 41.82 1udm s ASP 51 CO 0.77 -1.41 2.01 0.22 -0.17 0.00 0.00 175.17 176.59 1udm h TYR 52 N 9.52 0.00 0.00 -5.34 5.03 -1.98 0.37 116.97 124.57 1udm h TYR 52 Ca -0.27 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.02 1udm h TYR 52 Cb 1.07 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1udm h TYR 52 CO 0.98 0.00 -0.08 1.96 -1.32 0.00 0.00 178.16 179.69 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -1.99 -2.41 115.11 113.61 1udm h GLN 53 Ca 0.16 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.20 1udm h GLN 53 Cb 0.83 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1udm h GLN 53 CO -0.00 0.08 -0.77 0.45 -0.95 0.00 0.00 178.83 177.65 1udm h HIS 54 N 0.00 0.00 0.04 2.96 3.86 -0.65 -3.08 115.15 118.28 1udm h HIS 54 Ca -0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1udm h HIS 54 Cb 0.48 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.97 1udm h HIS 54 CO 0.00 0.77 -0.85 0.35 0.86 0.00 0.00 177.93 179.06 1udm h PHE 55 N 0.00 0.78 0.00 2.45 3.57 -1.45 -3.19 116.94 119.10 1udm h PHE 55 Ca -0.01 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1udm h PHE 55 Cb 1.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1udm h PHE 55 CO 0.00 1.29 0.00 0.82 -2.23 0.00 0.00 178.31 178.19 1udm h ILE 56 N 0.04 0.00 -0.03 1.41 2.04 -1.57 -1.71 117.51 117.69 1udm h ILE 56 Ca -0.12 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1udm h ILE 56 Cb 1.56 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1udm h ILE 56 CO 0.17 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1udm n GLN 57 N -2.72 1.29 -0.06 2.37 1.13 -1.16 -3.54 117.38 114.69 1udm n GLN 57 Ca 0.00 -0.42 -0.06 0.00 -1.94 0.00 0.00 57.00 54.58 1udm n GLN 57 Cb 0.22 -1.42 -0.09 0.00 0.11 0.00 0.00 30.24 29.06 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1udm n GLN 58 N -0.43 1.99 -2.47 -1.09 1.13 -0.65 -4.94 117.38 110.93 1udm n GLN 58 Ca 0.19 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1udm n GLN 58 Cb 0.19 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 4.14 0.86 -2.00 0.00 -4.23 -1.26 -4.91 115.64 108.23 1udm s THR 60 Ca 0.54 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1udm s THR 60 Cb -0.16 -2.63 0.53 0.00 1.34 0.00 0.00 72.50 71.58 1udm s THR 60 CO 0.21 0.00 1.58 -0.90 -0.54 0.00 0.00 174.62 174.97 1udm n ASP 61 N -0.82 0.00 -0.07 3.99 5.75 -1.26 -2.49 116.55 121.65 1udm n ASP 61 Ca -0.03 -0.98 0.10 0.00 -0.01 0.00 0.00 54.79 53.87 1udm n ASP 61 Cb 0.66 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.89 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1udm n ASP 62 N -0.87 2.32 -3.59 -1.12 2.03 -1.26 -2.82 116.55 111.23 1udm n ASP 62 Ca 0.14 -3.06 -0.15 0.00 0.52 0.00 0.00 54.79 52.25 1udm n ASP 62 Cb 0.06 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 39.99 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1udm s VAL 63 N -2.81 0.03 -0.08 5.18 0.11 -1.04 -5.01 120.40 116.78 1udm s VAL 63 Ca 0.31 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1udm s VAL 63 Cb 0.27 -0.93 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1udm s VAL 63 CO 0.03 -0.13 0.20 0.00 -3.33 0.00 0.00 175.10 171.87 1udm s ARG 64 N -1.99 0.19 -0.00 1.54 3.03 -1.26 -1.37 118.95 119.09 1udm s ARG 64 Ca -0.08 0.36 -0.30 0.00 2.03 0.00 0.00 55.73 57.74 1udm s ARG 64 Cb -0.01 -0.01 0.11 0.00 -1.03 0.00 0.00 34.95 34.00 1udm s ARG 64 CO 0.02 -0.09 1.13 -0.48 -1.13 0.00 0.00 175.30 174.75 1udm s LEU 65 N 0.64 -0.15 0.53 -1.89 -0.00 0.61 -4.72 118.68 113.70 1udm s LEU 65 Ca -0.04 -0.17 -0.12 0.00 -0.00 0.00 0.00 54.13 53.80 1udm s LEU 65 Cb -0.06 1.68 -0.06 0.00 -0.00 0.00 0.00 46.19 47.76 1udm s LEU 65 CO -0.03 -0.50 0.94 -0.36 -0.00 0.00 0.00 176.35 176.39 1udm s PHE 66 N -2.76 3.53 -0.27 3.48 0.40 -1.00 0.32 117.98 121.69 1udm s PHE 66 Ca 0.11 1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 57.66 1udm s PHE 66 Cb 0.01 -2.64 0.11 0.00 0.51 0.00 0.00 43.02 41.01 1udm s PHE 66 CO -0.03 -0.42 0.21 0.00 0.70 0.00 0.00 175.22 175.68 1udm s ALA 67 N -2.79 0.01 -0.35 5.36 0.00 0.28 0.01 121.76 124.27 1udm s ALA 67 Ca 0.55 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1udm s ALA 67 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1udm s ALA 67 CO 0.41 -1.57 0.60 0.12 0.00 0.00 0.00 175.76 175.33 1udm s PHE 68 N 2.25 3.16 0.05 0.00 2.19 0.23 0.17 117.98 126.03 1udm s PHE 68 Ca 0.08 0.32 0.09 0.00 0.33 0.00 0.00 56.93 57.75 1udm s PHE 68 Cb -0.15 -3.07 -0.03 0.00 -1.31 0.00 0.00 43.02 38.46 1udm s PHE 68 CO -0.29 -0.59 -0.26 0.08 1.83 0.00 0.00 175.22 175.99 1udm s VAL 69 N 2.62 2.07 -0.32 3.12 1.01 -1.21 -0.19 120.40 127.49 1udm s VAL 69 Ca 0.23 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1udm s VAL 69 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1udm s VAL 69 CO 0.14 0.33 0.23 -0.60 0.00 0.00 0.00 175.10 175.20 1udm s ARG 70 N -1.27 3.65 -0.44 2.72 3.52 0.54 -3.20 118.95 124.47 1udm s ARG 70 Ca 0.11 -0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 1udm s ARG 70 Cb -0.10 -3.76 0.11 0.00 -1.56 0.00 0.00 34.95 29.64 1udm s ARG 70 CO 0.02 -0.36 0.28 -0.06 -0.81 0.00 0.00 175.30 174.38 1udm s PHE 71 N 1.74 3.45 -0.71 5.12 0.08 0.11 -4.94 117.98 122.82 1udm s PHE 71 Ca 0.07 -1.95 -0.26 0.00 0.12 0.00 0.00 56.93 54.91 1udm s PHE 71 Cb -0.17 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1udm s PHE 71 CO 0.11 -0.96 1.17 -0.08 -0.10 0.00 0.00 175.22 175.36 1udm s THR 72 N 1.31 3.92 -0.00 0.64 -1.32 -1.26 -0.67 115.64 118.27 1udm s THR 72 Ca 0.06 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1udm s THR 72 Cb -0.25 -4.84 -0.00 0.00 -1.51 0.00 0.00 72.50 65.90 1udm s THR 72 CO -0.01 -1.72 0.00 1.07 -2.21 0.00 0.00 174.62 171.74 1udm n THR 73 N 6.23 0.01 -0.10 5.08 5.66 -1.26 -4.82 114.28 125.08 1udm n THR 73 Ca 0.01 -0.01 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1udm n THR 73 Cb 0.48 -0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 68.27 1udm n THR 73 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1udm h GLY 74 N 0.03 -1.86 0.00 1.09 0.00 -1.73 -3.44 103.07 97.16 1udm h GLY 74 Ca -0.00 0.92 0.00 0.00 0.00 0.00 0.00 47.33 48.25 1udm h GLY 74 CO 0.00 -0.60 0.00 1.22 0.00 0.00 0.00 176.54 177.16 1udm n ASP 75 N -3.71 -3.43 -4.42 0.19 9.92 -1.15 -4.88 116.55 109.08 1udm n ASP 75 Ca -0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1udm n ASP 75 Cb 0.10 -2.53 -0.09 0.00 -0.64 0.00 0.00 41.12 37.96 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1udm s ALA 76 N -1.37 3.27 0.05 2.24 0.00 -0.92 -5.07 121.76 119.96 1udm s ALA 76 Ca 0.00 -1.14 -0.36 0.00 0.00 0.00 0.00 51.96 50.46 1udm s ALA 76 Cb 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 23.12 23.37 1udm s ALA 76 CO 0.00 -0.21 1.49 0.52 0.00 0.00 0.00 175.76 177.56 1udm h MET 77 N 1.68 -1.21 0.18 0.00 2.86 -2.00 -3.30 114.93 113.14 1udm h MET 77 Ca -0.40 0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1udm h MET 77 Cb 1.28 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1udm h MET 77 CO 0.66 -0.81 -0.30 0.77 1.06 0.00 0.00 176.91 178.30 1udm h SER 78 N -1.31 -0.86 -3.51 1.22 0.02 -1.97 -3.38 113.55 103.74 1udm h SER 78 Ca -0.13 0.08 -0.62 0.00 -0.84 0.00 0.00 61.79 60.29 1udm h SER 78 Cb 0.97 0.30 -0.12 0.00 0.14 0.00 0.00 62.40 63.69 1udm h SER 78 CO 0.21 -0.35 0.23 -0.54 -1.14 0.00 0.00 176.83 175.23 1udm s LYS 79 N -4.61 3.86 -0.12 3.45 1.02 -1.24 -4.93 119.74 117.16 1udm s LYS 79 Ca -0.10 0.32 -0.12 0.00 0.02 0.00 0.00 55.97 56.09 1udm s LYS 79 Cb 0.03 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1udm s LYS 79 CO 0.35 -0.65 -0.23 -2.13 -0.92 0.00 0.00 175.35 171.76 1udm n ARG 80 N 6.04 0.35 -3.73 1.68 0.63 -1.26 -2.16 116.66 118.21 1udm n ARG 80 Ca 0.00 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 56.94 1udm n ARG 80 Cb 0.49 -1.11 -0.10 0.00 0.45 0.00 0.00 32.46 32.19 1udm n ARG 80 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1udm s SER 81 N -5.27 -0.42 0.42 6.15 1.04 -1.26 -4.03 113.70 110.33 1udm s SER 81 Ca -0.19 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.10 1udm s SER 81 Cb 0.03 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 1udm s SER 81 CO 0.28 -0.17 0.44 -0.54 0.98 0.00 0.00 173.24 174.23 1udm s LYS 82 N 0.08 2.61 0.27 4.02 1.02 0.16 -4.94 119.74 122.96 1udm s LYS 82 Ca -0.01 -1.47 -0.20 0.00 0.02 0.00 0.00 55.97 54.31 1udm s LYS 82 Cb -0.03 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1udm s LYS 82 CO 0.01 -0.24 0.69 -0.06 -0.92 0.00 0.00 175.35 174.83 1udm s PHE 83 N -2.45 -0.14 -0.28 3.18 0.40 -1.26 0.03 117.98 117.46 1udm s PHE 83 Ca 0.50 -0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 56.33 1udm s PHE 83 Cb -0.05 0.65 0.13 0.00 0.51 0.00 0.00 43.02 44.25 1udm s PHE 83 CO 0.29 -1.20 0.97 0.00 0.70 0.00 0.00 175.22 175.98 1udm s ALA 84 N -3.93 -2.10 -0.94 5.36 0.00 -1.19 -2.48 121.76 116.48 1udm s ALA 84 Ca 0.12 2.08 -0.23 0.00 0.00 0.00 0.00 51.96 53.93 1udm s ALA 84 Cb -0.05 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1udm s ALA 84 CO 0.07 -0.30 1.34 -1.17 0.00 0.00 0.00 175.76 175.69 1udm s LEU 85 N 0.87 3.78 -0.66 0.00 2.96 -0.53 -3.35 118.68 121.75 1udm s LEU 85 Ca -0.04 -1.38 -0.27 0.00 -0.22 0.00 0.00 54.13 52.22 1udm s LEU 85 Cb -0.04 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 1udm s LEU 85 CO -0.11 -1.47 1.63 -0.63 -1.32 0.00 0.00 176.35 174.44 1udm s ILE 86 N 4.62 3.50 -0.69 6.68 1.01 0.13 0.11 121.20 136.55 1udm s ILE 86 Ca 0.41 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 1udm s ILE 86 Cb -0.03 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.17 1udm s ILE 86 CO -0.05 -1.28 1.11 -0.89 0.00 0.00 0.00 174.94 173.83 1udm s THR 87 N 7.74 4.05 0.13 2.92 2.01 0.29 0.99 115.64 133.77 1udm s THR 87 Ca 0.55 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 1udm s THR 87 Cb -0.11 -4.79 -0.07 0.00 0.01 0.00 0.00 72.50 67.54 1udm s THR 87 CO 0.19 -1.64 0.78 0.86 -0.69 0.00 0.00 174.62 174.12 1udm s TRP 88 N 4.81 3.85 -0.29 4.92 -0.11 0.15 -0.93 118.94 131.35 1udm s TRP 88 Ca 0.28 1.59 -0.01 0.00 1.22 0.00 0.00 56.10 59.18 1udm s TRP 88 Cb -0.13 -2.79 0.13 0.00 -1.50 0.00 0.00 33.47 29.18 1udm s TRP 88 CO 0.12 0.43 0.27 0.42 -4.62 0.00 0.00 176.95 173.58 1udm s ILE 89 N -0.76 -0.36 -0.27 5.86 1.01 -0.42 -0.28 121.20 125.97 1udm s ILE 89 Ca 0.37 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 1udm s ILE 89 Cb -0.22 -0.98 -0.13 0.00 0.01 0.00 0.00 42.46 41.13 1udm s ILE 89 CO 0.25 -0.50 1.00 0.61 0.00 0.00 0.00 174.94 176.30 1udm n GLY 90 N 5.29 0.06 0.00 6.18 0.00 -0.47 -4.41 105.19 111.84 1udm n GLY 90 Ca -0.02 0.64 0.04 0.00 0.00 0.00 0.00 46.02 46.68 1udm n GLY 90 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1udm n GLU 91 N 2.34 0.20 -0.02 1.61 -0.00 -1.22 -1.44 120.64 122.11 1udm n GLU 91 Ca 0.19 0.11 0.03 0.00 -0.00 0.00 0.00 57.16 57.49 1udm n GLU 91 Cb -0.02 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 29.83 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1udm n ASP 92 N -1.15 2.20 -4.58 -1.84 2.03 -1.22 -5.02 116.55 106.98 1udm n ASP 92 Ca 0.05 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.99 1udm n ASP 92 Cb 0.05 1.35 0.05 0.00 -0.72 0.00 0.00 41.12 41.85 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1udm n VAL 93 N -2.06 3.37 -1.71 5.18 0.24 -0.52 -4.86 118.33 117.96 1udm n VAL 93 Ca -0.07 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.31 1udm n VAL 93 Cb 0.47 -1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 31.79 1udm n VAL 93 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1udm n SER 94 N -0.54 3.69 -0.30 -1.34 7.64 -1.26 -4.86 113.62 116.65 1udm n SER 94 Ca 0.13 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 61.10 1udm n SER 94 Cb 0.48 -1.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.17 1udm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1udm n GLY 95 N 3.21 -1.61 0.19 0.23 0.00 -1.26 -0.86 105.19 105.08 1udm n GLY 95 Ca 0.14 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.98 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -5.14 -0.49 -0.32 0.99 0.00 -1.26 0.33 117.00 111.12 1udm n LEU 96 Ca 0.08 1.33 0.20 0.00 0.00 0.00 0.00 56.01 57.61 1udm n LEU 96 Cb 0.31 -0.36 0.38 0.00 0.00 0.00 0.00 43.42 43.75 1udm n LEU 96 CO -0.11 -0.92 0.84 0.00 0.00 0.00 0.00 177.39 177.20 1udm n GLN 97 N -4.04 -0.07 -0.05 1.96 1.13 -0.04 0.22 117.38 116.48 1udm n GLN 97 Ca 0.01 1.37 -0.08 0.00 -1.94 0.00 0.00 57.00 56.36 1udm n GLN 97 Cb 0.12 -2.28 0.08 0.00 0.11 0.00 0.00 30.24 28.27 1udm n GLN 97 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1udm h ARG 98 N 0.00 0.70 0.00 -1.09 1.12 -0.07 0.14 114.38 115.18 1udm h ARG 98 Ca 0.65 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 1udm h ARG 98 Cb 1.52 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.47 1udm h ARG 98 CO -0.83 0.94 0.00 0.00 -3.11 0.00 0.00 179.97 176.97 1udm h ALA 99 N 1.03 1.00 0.05 2.80 0.00 0.46 -3.10 119.26 121.50 1udm h ALA 99 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.59 1udm h ALA 99 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1udm h ALA 99 CO 0.07 0.00 -2.21 1.63 0.00 0.00 0.00 179.25 178.75 1udm n LYS 100 N -2.68 0.68 -0.32 0.00 4.76 0.10 -4.03 118.16 116.67 1udm n LYS 100 Ca 0.01 0.24 0.15 0.00 -2.87 0.00 0.00 58.31 55.84 1udm n LYS 100 Cb 0.27 -1.61 0.38 0.00 -1.84 0.00 0.00 35.03 32.24 1udm n LYS 100 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1udm h THR 101 N -0.15 0.72 -0.26 -0.18 2.02 -0.92 0.18 112.91 114.31 1udm h THR 101 Ca -0.52 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 1udm h THR 101 Cb 1.88 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1udm h THR 101 CO -0.07 0.12 -0.46 1.23 0.37 0.00 0.00 175.52 176.72 1udm h GLY 102 N 0.66 0.75 1.49 2.16 0.00 -1.73 -2.97 103.07 103.42 1udm h GLY 102 Ca 0.53 -0.79 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1udm h GLY 102 CO -0.30 0.72 -0.74 -0.84 0.00 0.00 0.00 176.54 175.38 1udm h THR 103 N 0.55 1.35 0.00 4.70 2.02 -1.16 -2.88 112.91 117.49 1udm h THR 103 Ca 0.03 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1udm h THR 103 Cb 1.00 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1udm h THR 103 CO 0.09 0.64 0.00 0.47 0.37 0.00 0.00 175.52 177.09 1udm n ASP 104 N -3.86 0.00 0.08 4.18 8.00 0.45 -2.96 116.55 122.43 1udm n ASP 104 Ca -0.05 -0.26 -0.02 0.00 0.71 0.00 0.00 54.79 55.18 1udm n ASP 104 Cb 0.71 -0.17 0.25 0.00 -0.02 0.00 0.00 41.12 41.89 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1udm h LYS 105 N 0.00 0.31 -0.33 -1.24 3.64 -1.34 -2.69 116.57 114.91 1udm h LYS 105 Ca 0.00 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1udm h LYS 105 Cb 0.12 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1udm h LYS 105 CO 0.00 0.59 0.47 1.15 -2.27 0.00 0.00 179.45 179.39 1udm h THR 106 N 0.27 0.26 0.00 1.00 2.02 -1.73 0.76 112.91 115.48 1udm h THR 106 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1udm h THR 106 Cb 0.68 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1udm h THR 106 CO 0.05 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.54 1udm h LEU 107 N 0.00 0.00 -2.07 2.58 3.38 -1.73 -3.24 115.31 114.23 1udm h LEU 107 Ca 0.16 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1udm h LEU 107 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1udm h LEU 107 CO -0.00 0.99 0.04 0.58 0.09 0.00 0.00 178.44 180.14 1udm h VAL 108 N -1.00 0.89 0.00 1.22 2.07 -1.34 -0.63 116.25 117.46 1udm h VAL 108 Ca -0.08 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1udm h VAL 108 Cb 0.83 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1udm h VAL 108 CO -0.05 0.00 -0.53 0.50 0.02 0.00 0.00 177.57 177.51 1udm h LYS 109 N 0.00 0.00 -0.58 1.57 3.64 -1.02 -2.58 116.57 117.60 1udm h LYS 109 Ca 0.03 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1udm h LYS 109 Cb 0.12 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 1udm h LYS 109 CO -0.00 0.53 0.01 0.93 -2.27 0.00 0.00 179.45 178.65 1udm h GLU 110 N 0.00 0.12 0.24 1.90 4.39 -1.13 -2.23 114.58 117.87 1udm h GLU 110 Ca -0.01 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1udm h GLU 110 Cb 0.95 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.61 1udm h GLU 110 CO 0.07 0.08 -1.46 -0.24 -1.16 0.00 0.00 179.01 176.30 1udm h VAL 111 N 0.12 1.31 -3.02 3.13 3.04 -1.66 -3.41 116.25 115.76 1udm h VAL 111 Ca 0.30 -2.75 -0.73 0.00 -1.01 0.00 0.00 66.70 62.51 1udm h VAL 111 Cb 0.47 3.03 -0.22 0.00 -2.01 0.00 0.00 31.29 32.56 1udm h VAL 111 CO -0.49 0.82 0.00 -0.69 -1.01 0.00 0.00 177.57 176.21 1udm s VAL 112 N -2.61 5.02 0.00 1.51 1.01 -0.84 -4.76 120.40 119.73 1udm s VAL 112 Ca -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1udm s VAL 112 Cb 0.05 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1udm s VAL 112 CO 0.94 -1.03 0.00 0.00 0.00 0.00 0.00 175.10 175.01 1udm n GLN 113 N 5.77 1.19 0.26 2.72 6.02 -1.23 -4.50 117.38 127.62 1udm n GLN 113 Ca -0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.00 1udm n GLN 113 Cb 0.42 -0.90 0.70 0.00 1.02 0.00 0.00 30.24 31.47 1udm n GLN 113 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1udm h ASN 114 N 0.00 0.00 -1.03 1.08 4.21 -1.86 -3.44 115.58 114.54 1udm h ASN 114 Ca 0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 1udm h ASN 114 Cb 0.81 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.05 1udm h ASN 114 CO 0.00 0.07 -0.03 2.22 -1.29 0.00 0.00 177.43 178.40 1udm n PHE 115 N -4.12 -1.64 -0.03 1.19 -1.74 -1.26 -4.94 117.46 104.92 1udm n PHE 115 Ca -0.03 -0.06 -0.03 0.00 -0.56 0.00 0.00 57.45 56.78 1udm n PHE 115 Cb 0.15 -0.37 -0.01 0.00 1.52 0.00 0.00 39.48 40.78 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm n ALA 116 N -2.61 0.25 -3.64 1.98 0.00 -1.04 -4.95 120.51 110.50 1udm n ALA 116 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1udm n ALA 116 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.56 1.47 -0.08 0.00 2.20 -1.26 -4.92 119.74 115.60 1udm s LYS 117 Ca -0.08 -0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 54.61 1udm s LYS 117 Cb 0.01 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 1udm s LYS 117 CO 0.12 -0.66 0.64 -1.83 -0.36 0.00 0.00 175.35 173.26 1udm s GLU 118 N -3.75 4.41 -0.51 4.03 -1.05 -1.26 -1.46 118.70 119.11 1udm s GLU 118 Ca 0.06 0.76 -0.13 0.00 -0.15 0.00 0.00 54.97 55.51 1udm s GLU 118 Cb -0.03 -3.44 0.12 0.00 -0.44 0.00 0.00 34.13 30.34 1udm s GLU 118 CO -0.03 0.11 0.43 -0.06 0.95 0.00 0.00 175.26 176.66 1udm s PHE 119 N 0.69 3.32 -0.67 4.83 0.40 0.30 -4.87 117.98 121.97 1udm s PHE 119 Ca 0.34 -1.50 -0.27 0.00 -0.60 0.00 0.00 56.93 54.90 1udm s PHE 119 Cb -0.17 -3.63 0.03 0.00 0.51 0.00 0.00 43.02 39.76 1udm s PHE 119 CO 0.16 -1.00 1.22 0.08 0.70 0.00 0.00 175.22 176.38 1udm s VAL 120 N 1.51 3.89 0.05 -0.44 1.01 -1.26 0.10 120.40 125.26 1udm s VAL 120 Ca 0.04 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1udm s VAL 120 Cb -0.28 -4.82 -0.03 0.00 0.00 0.00 0.00 36.38 31.24 1udm s VAL 120 CO 0.02 -1.63 -0.16 -0.63 0.00 0.00 0.00 175.10 172.70 1udm s ILE 121 N 5.30 2.97 -0.00 2.22 1.01 -0.11 -4.94 121.20 127.65 1udm s ILE 121 Ca 0.37 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1udm s ILE 121 Cb -0.09 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1udm s ILE 121 CO 0.18 0.28 0.01 -1.54 0.00 0.00 0.00 174.94 173.88 1udm n SER 122 N 1.35 4.87 -4.37 3.58 3.41 -1.26 -1.31 113.62 119.89 1udm n SER 122 Ca -0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.12 1udm n SER 122 Cb 0.52 0.93 -0.14 0.00 -0.26 0.00 0.00 64.21 65.26 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1udm s ASP 123 N -2.25 4.06 0.45 4.04 2.15 -1.26 -3.39 116.67 120.47 1udm s ASP 123 Ca -0.00 -0.33 0.18 0.00 0.43 0.00 0.00 52.55 52.83 1udm s ASP 123 Cb 0.00 -1.63 1.14 0.00 -0.30 0.00 0.00 42.92 42.13 1udm s ASP 123 CO 0.02 0.15 1.92 0.03 -0.17 0.00 0.00 175.17 177.12 1udm h ARG 124 N 6.86 0.32 0.00 4.34 3.08 -1.94 0.17 114.38 127.20 1udm h ARG 124 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1udm h ARG 124 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1udm h ARG 124 CO 0.57 0.21 0.28 0.87 -1.07 0.00 0.00 179.97 180.83 1udm h LYS 125 N 0.33 0.00 0.00 0.04 1.79 -2.01 0.68 116.57 117.40 1udm h LYS 125 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1udm h LYS 125 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1udm h LYS 125 CO -0.10 0.00 -1.29 0.39 -1.08 0.00 0.00 179.45 177.36 1udm n GLU 126 N -2.70 0.62 0.16 3.15 1.02 0.60 -4.23 120.64 119.26 1udm n GLU 126 Ca -0.02 -0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1udm n GLU 126 Cb 0.33 -1.43 0.52 0.00 -0.02 0.00 0.00 31.44 30.83 1udm n GLU 126 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1udm h LEU 127 N 0.00 0.00 -8.42 -4.62 -0.00 0.44 -3.41 115.31 99.29 1udm h LEU 127 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.28 1udm h LEU 127 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1udm h LEU 127 CO 0.00 0.00 1.52 -0.62 -0.00 0.00 0.00 178.44 179.34 1udm n GLU 128 N -2.40 0.81 -0.40 1.13 1.02 -1.20 -4.74 120.64 114.85 1udm n GLU 128 Ca 0.02 0.16 0.34 0.00 -0.02 0.00 0.00 57.16 57.67 1udm n GLU 128 Cb 0.25 -2.42 0.58 0.00 -0.02 0.00 0.00 31.44 29.84 1udm n GLU 128 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1udm n GLU 129 N 8.38 -0.03 -0.17 3.49 0.00 -1.26 0.17 120.64 131.21 1udm n GLU 129 Ca 0.46 1.11 -0.03 0.00 0.00 0.00 0.00 57.16 58.70 1udm n GLU 129 Cb 0.24 -2.16 0.07 0.00 0.00 0.00 0.00 31.44 29.59 1udm n GLU 129 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1udm h ASP 130 N 0.00 0.25 -0.23 4.31 3.04 -1.94 -1.55 116.42 120.31 1udm h ASP 130 Ca 0.77 0.06 -0.09 0.00 -3.24 0.00 0.00 57.03 54.52 1udm h ASP 130 Cb 2.43 0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 40.73 1udm h ASP 130 CO -0.43 0.17 -0.15 0.15 -2.04 0.00 0.00 179.24 176.93 1udm h PHE 131 N 0.41 0.71 -0.21 4.15 3.57 0.14 -3.08 116.94 122.64 1udm h PHE 131 Ca 0.25 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1udm h PHE 131 Cb 0.25 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1udm h PHE 131 CO -0.14 0.77 -0.08 0.82 -2.23 0.00 0.00 178.31 177.44 1udm h ILE 132 N 0.58 0.73 0.10 1.41 1.08 -1.00 -2.88 117.51 117.54 1udm h ILE 132 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 1udm h ILE 132 Cb 0.60 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1udm h ILE 132 CO 0.04 0.00 -0.49 0.03 -0.69 0.00 0.00 178.15 177.04 1udm h ARG 133 N -0.04 -0.68 -1.17 2.37 -0.00 -1.36 -0.75 114.38 112.75 1udm h ARG 133 Ca 0.11 0.05 0.44 0.00 -0.50 0.00 0.00 59.98 60.07 1udm h ARG 133 Cb 0.20 0.15 -0.16 0.00 0.00 0.00 0.00 29.97 30.17 1udm h ARG 133 CO -0.24 -0.45 0.70 1.03 0.00 0.00 0.00 179.97 181.01 1udm h SER 134 N -0.70 0.28 0.50 7.04 0.87 -1.51 0.62 113.55 120.64 1udm h SER 134 Ca 0.01 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1udm h SER 134 Cb 0.73 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1udm h SER 134 CO -0.28 -0.34 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.11 1udm h GLU 135 N 0.03 -0.64 -1.10 2.24 4.39 -1.01 -3.20 114.58 115.28 1udm h GLU 135 Ca 0.85 0.04 0.39 0.00 0.34 0.00 0.00 59.36 60.99 1udm h GLU 135 Cb 2.47 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 31.12 1udm h GLU 135 CO -0.62 -0.43 0.65 -0.07 -1.16 0.00 0.00 179.01 177.38 1udm h LEU 136 N -1.08 0.36 -0.95 1.33 3.38 -0.24 1.01 115.31 119.12 1udm h LEU 136 Ca -0.07 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1udm h LEU 136 Cb 0.51 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1udm h LEU 136 CO 0.11 -0.25 0.56 0.50 0.09 0.00 0.00 178.44 179.46 1udm h LYS 137 N 0.14 0.80 -0.13 1.13 3.64 -1.27 -1.75 116.57 119.13 1udm h LYS 137 Ca 0.80 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 1udm h LYS 137 Cb 2.15 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1udm h LYS 137 CO -0.60 0.53 0.00 0.36 -2.27 0.00 0.00 179.45 177.48 1udm n LYS 138 N -4.73 2.11 -0.27 1.90 -0.00 0.29 -4.80 118.16 112.67 1udm n LYS 138 Ca 0.19 -2.65 0.04 0.00 -0.00 0.00 0.00 58.31 55.89 1udm n LYS 138 Cb 0.42 -1.63 0.09 0.00 -0.00 0.00 0.00 35.03 33.91 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1udm n ALA 139 N -0.94 0.15 -2.96 0.58 0.00 0.20 -4.85 120.51 112.68 1udm n ALA 139 Ca 0.18 0.80 -0.10 0.00 0.00 0.00 0.00 53.44 54.32 1udm n ALA 139 Cb 0.74 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.73 1udm n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udm n GLY 140 N -1.45 -1.18 2.68 0.00 0.00 -1.26 -5.02 105.19 98.96 1udm n GLY 140 Ca 0.11 1.11 -0.05 0.00 0.00 0.00 0.00 46.02 47.20 1udm n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udm n GLY 141 N -0.57 -1.52 3.57 -0.02 0.00 -1.26 -5.11 105.19 100.29 1udm n GLY 141 Ca 0.07 0.92 -0.39 0.00 0.00 0.00 0.00 46.02 46.62 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 142 N 0.26 2.15 0.30 4.61 0.00 -1.26 -4.95 121.76 122.87 1udm s ALA 142 Ca 0.27 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.43 1udm s ALA 142 Cb 0.20 -4.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1udm s ALA 142 CO -0.10 -3.73 -0.08 0.54 0.00 0.00 0.00 175.76 172.38 1udm s ASN 143 N 9.73 4.02 -0.51 0.00 2.20 -1.26 -5.04 114.94 124.07 1udm s ASN 143 Ca 0.90 -0.93 -0.27 0.00 -0.94 0.00 0.00 52.86 51.62 1udm s ASN 143 Cb -0.21 -0.51 -0.09 0.00 -2.00 0.00 0.00 41.25 38.44 1udm s ASN 143 CO 0.28 -0.07 2.42 0.00 -2.94 0.00 0.00 177.10 176.79 1udm n TYR 144 N -0.80 1.40 -0.01 1.54 9.36 -1.26 -4.66 117.16 122.73 1udm n TYR 144 Ca -0.05 0.13 -0.01 0.00 3.32 0.00 0.00 57.90 61.28 1udm n TYR 144 Cb 0.61 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.69 1udm n TYR 144 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1udm n ASP 145 N 14.51 3.90 -0.28 2.98 5.75 -1.26 -4.72 116.55 137.42 1udm n ASP 145 Ca 0.40 -0.01 0.10 0.00 -0.01 0.00 0.00 54.79 55.27 1udm n ASP 145 Cb 0.46 -0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.79 1udm n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1udm h ALA 146 N 0.00 1.11 -0.48 2.12 0.00 -1.88 -3.47 119.26 116.67 1udm h ALA 146 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1udm h ALA 146 Cb 1.06 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1udm h ALA 146 CO -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 179.25 178.82 1udm n GLN 147 N -5.24 -0.00 -0.04 0.00 10.64 -1.26 -3.62 117.38 117.85 1udm n GLN 147 Ca 0.18 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.27 1udm n GLN 147 Cb 0.59 -0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.95 1udm n GLN 147 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1udm h SER 148 N -0.00 -0.91 -0.01 2.61 0.02 -2.01 -3.55 113.55 109.69 1udm h SER 148 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1udm h SER 148 Cb 0.00 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1udm h SER 148 CO 0.00 -0.32 0.00 -0.62 -1.14 0.00 0.00 176.83 174.75