#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 0.63 -0.31 1.61 3.41 -1.26 -4.21 113.62 113.49 1udm n SER 2 Ca 0.00 0.30 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1udm n SER 2 Cb 0.00 0.29 0.23 0.00 -0.26 0.00 0.00 64.21 64.47 1udm n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1udm h GLU 3 N 0.00 0.70 0.00 4.33 4.39 -2.11 -3.46 114.58 118.43 1udm h GLU 3 Ca -0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1udm h GLU 3 Cb 1.98 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1udm h GLU 3 CO 0.06 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.78 1udm n GLY 4 N -1.33 0.73 3.43 -3.84 0.00 -1.26 -5.12 105.19 97.80 1udm n GLY 4 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.23 -2.50 0.16 4.61 0.00 -1.26 -5.18 121.76 116.37 1udm s ALA 5 Ca 0.00 2.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.98 1udm s ALA 5 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1udm s ALA 5 CO 0.00 -1.04 0.19 0.00 0.00 0.00 0.00 175.76 174.91 1udm s ALA 6 N 2.70 0.51 -1.29 0.00 0.00 -1.26 -4.90 121.76 117.52 1udm s ALA 6 Ca -0.01 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 1udm s ALA 6 Cb -0.10 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1udm s ALA 6 CO -0.18 -0.59 1.13 2.41 0.00 0.00 0.00 175.76 178.53 1udm n THR 7 N -0.19 -2.93 -3.54 0.00 -1.04 -1.26 -4.99 114.28 100.33 1udm n THR 7 Ca -0.05 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.69 1udm n THR 7 Cb 0.64 -3.91 -0.15 0.00 -1.82 0.00 0.00 70.33 65.09 1udm n THR 7 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1udm s MET 8 N -6.23 0.17 0.03 -2.82 1.00 -1.26 -5.13 119.30 105.06 1udm s MET 8 Ca 0.55 -0.33 -0.28 0.00 0.00 0.00 0.00 55.69 55.63 1udm s MET 8 Cb -0.24 -1.27 0.07 0.00 0.00 0.00 0.00 34.83 33.38 1udm s MET 8 CO 0.70 -0.91 0.65 0.00 0.00 0.00 0.00 175.02 175.45 1udm s ALA 9 N 2.15 -1.70 -0.16 3.03 0.00 -1.26 -5.18 121.76 118.65 1udm s ALA 9 Ca 0.07 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 1udm s ALA 9 Cb -0.16 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1udm s ALA 9 CO -0.28 -0.51 0.76 0.99 0.00 0.00 0.00 175.76 176.71 1udm s THR 10 N -2.12 0.00 0.37 0.00 2.01 -1.26 -4.97 115.64 109.67 1udm s THR 10 Ca -0.07 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.00 1udm s THR 10 Cb -0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1udm s THR 10 CO 0.02 0.00 0.23 0.29 -0.69 0.00 0.00 174.62 174.47 1udm n LYS 11 N 1.61 0.48 -3.86 4.92 5.02 -1.05 -5.03 118.16 120.25 1udm n LYS 11 Ca -0.16 -3.43 -0.11 0.00 -2.02 0.00 0.00 58.31 52.59 1udm n LYS 11 Cb 0.56 2.42 -0.10 0.00 -0.02 0.00 0.00 35.03 37.89 1udm n LYS 11 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1udm s ILE 12 N -3.27 0.08 -0.50 -0.18 2.07 -1.26 -1.25 121.20 116.89 1udm s ILE 12 Ca 0.32 -0.69 -0.03 0.00 -1.41 0.00 0.00 60.65 58.84 1udm s ILE 12 Cb 0.02 -0.46 0.12 0.00 0.13 0.00 0.00 42.46 42.27 1udm s ILE 12 CO 0.23 -0.38 2.60 0.47 -1.91 0.00 0.00 174.94 175.95 1udm n ASP 13 N 1.41 6.64 -0.10 4.50 9.92 -0.04 -4.78 116.55 134.11 1udm n ASP 13 Ca -0.23 -3.30 0.08 0.00 -0.53 0.00 0.00 54.79 50.81 1udm n ASP 13 Cb 0.56 -1.19 0.14 0.00 -0.64 0.00 0.00 41.12 39.99 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 0.60 -0.02 0.34 -1.24 5.02 -1.26 0.21 118.16 121.81 1udm n LYS 14 Ca 0.49 0.45 -0.18 0.00 -2.02 0.00 0.00 58.31 57.05 1udm n LYS 14 Cb 0.51 -0.77 -0.09 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.98 -0.09 1.97 5.08 -1.98 0.31 114.58 118.89 1udm h GLU 15 Ca 0.23 0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1udm h GLU 15 Cb 0.56 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1udm h GLU 15 CO -0.27 -0.65 -0.54 0.00 -1.00 0.00 0.00 179.01 176.55 1udm h ALA 16 N -0.80 0.91 0.24 3.43 0.00 0.20 -3.19 119.26 120.06 1udm h ALA 16 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1udm h ALA 16 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1udm h ALA 16 CO 0.02 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.84 1udm h ARG 18 N -0.48 0.32 -0.16 0.00 2.43 -0.42 0.11 114.38 116.18 1udm h ARG 18 Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1udm h ARG 18 Cb 0.36 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1udm h ARG 18 CO 0.05 0.21 -0.00 0.00 -1.51 0.00 0.00 179.97 178.72 1udm h ALA 19 N 1.60 0.22 -0.28 2.80 0.00 -1.47 -1.03 119.26 121.10 1udm h ALA 19 Ca 0.47 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1udm h ALA 19 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1udm h ALA 19 CO -0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 179.25 178.96 1udm h ALA 20 N 0.76 0.39 0.00 0.00 0.00 -0.75 0.77 119.26 120.44 1udm h ALA 20 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1udm h ALA 20 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1udm h ALA 20 CO 0.01 0.20 0.00 -0.92 0.00 0.00 0.00 179.25 178.54 1udm h TYR 21 N 0.31 0.00 0.07 0.00 5.03 -0.86 -2.97 116.97 118.54 1udm h TYR 21 Ca 0.07 0.00 -0.34 0.00 2.58 0.00 0.00 58.73 61.04 1udm h TYR 21 Cb 0.54 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.79 1udm h TYR 21 CO 0.05 0.00 -1.91 0.09 -1.32 0.00 0.00 178.16 175.07 1udm n ASN 22 N -2.65 2.03 0.22 -2.11 3.02 -0.39 -2.71 115.26 112.67 1udm n ASN 22 Ca 0.00 0.23 0.10 0.00 -0.03 0.00 0.00 54.58 54.89 1udm n ASN 22 Cb 0.21 -0.83 0.54 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.30 0.00 0.00 3.41 -0.00 -0.69 0.30 115.31 118.03 1udm h LEU 23 Ca -0.45 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.16 1udm h LEU 23 Cb 1.79 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.40 1udm h LEU 23 CO -0.05 0.00 -2.03 0.55 -0.00 0.00 0.00 178.44 176.91 1udm n VAL 24 N -2.37 1.04 0.19 1.22 3.14 -1.21 -3.98 118.33 116.37 1udm n VAL 24 Ca -0.01 -0.40 0.04 0.00 -2.96 0.00 0.00 64.34 61.00 1udm n VAL 24 Cb 0.31 -1.13 0.40 0.00 -1.06 0.00 0.00 33.84 32.36 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 0.00 -7.32 1.45 2.43 -1.01 -3.45 114.38 106.49 1udm h ARG 25 Ca -0.40 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.25 1udm h ARG 25 Cb 1.64 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 31.31 1udm h ARG 25 CO -0.06 0.35 0.33 0.34 -1.51 0.00 0.00 179.97 179.41 1udm s ASP 26 N -6.79 4.67 -0.19 -3.80 2.15 0.92 -4.96 116.67 108.67 1udm s ASP 26 Ca -0.02 1.79 0.15 0.00 0.43 0.00 0.00 52.55 54.90 1udm s ASP 26 Cb 0.14 -2.52 0.67 0.00 -0.30 0.00 0.00 42.92 40.92 1udm s ASP 26 CO 0.71 -1.92 1.59 -0.90 -0.17 0.00 0.00 175.17 174.47 1udm n ASP 27 N -3.43 4.79 0.00 -0.34 5.75 -1.26 -4.28 116.55 117.78 1udm n ASP 27 Ca 0.09 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.99 1udm n ASP 27 Cb 0.53 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1udm n GLY 28 N 0.22 -0.11 3.18 6.12 0.00 -1.26 -4.99 105.19 108.35 1udm n GLY 28 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1udm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udm s SER 29 N -0.21 5.08 0.58 1.61 0.01 -1.26 -4.95 113.70 114.55 1udm s SER 29 Ca 0.00 -1.47 0.24 0.00 1.31 0.00 0.00 55.95 56.03 1udm s SER 29 Cb 0.00 -1.78 0.82 0.00 0.21 0.00 0.00 66.02 65.27 1udm s SER 29 CO 0.00 -0.35 1.21 0.00 0.41 0.00 0.00 173.24 174.50 1udm n ALA 30 N 4.65 0.89 -1.74 1.44 0.00 -1.26 -4.40 120.51 120.09 1udm n ALA 30 Ca -0.10 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1udm n ALA 30 Cb 0.43 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 -4.28 2.27 -0.02 0.00 1.01 -1.26 -4.09 120.40 114.05 1udm s VAL 31 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1udm s VAL 31 Cb 0.13 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1udm s VAL 31 CO 0.42 0.00 0.02 2.30 0.00 0.00 0.00 175.10 177.84 1udm n ILE 32 N 4.30 0.00 -3.96 2.22 -5.35 -1.00 -4.00 119.36 111.58 1udm n ILE 32 Ca 0.17 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.31 1udm n ILE 32 Cb 0.37 0.71 -0.13 0.00 -1.74 0.00 0.00 39.64 38.85 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 -1.62 0.20 -0.07 4.28 1.48 -0.95 -0.60 118.94 121.66 1udm s TRP 33 Ca -0.00 -0.25 -0.04 0.00 -1.06 0.00 0.00 56.10 54.75 1udm s TRP 33 Cb 0.00 -0.13 0.03 0.00 -1.16 0.00 0.00 33.47 32.21 1udm s TRP 33 CO 0.03 -0.08 0.16 0.14 -4.06 0.00 0.00 176.95 173.14 1udm s VAL 34 N -0.68 -0.03 0.13 -0.66 -7.23 0.52 -2.70 120.40 109.76 1udm s VAL 34 Ca -0.07 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1udm s VAL 34 Cb -0.05 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1udm s VAL 34 CO -0.00 0.04 0.14 0.42 -0.31 0.00 0.00 175.10 175.39 1udm s THR 35 N 0.72 4.66 -0.37 5.32 -4.23 -0.77 0.55 115.64 121.52 1udm s THR 35 Ca -0.05 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1udm s THR 35 Cb -0.07 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.55 1udm s THR 35 CO -0.04 -0.02 0.14 -0.36 -0.54 0.00 0.00 174.62 173.80 1udm s PHE 36 N -1.62 2.32 0.45 3.99 0.40 0.11 0.79 117.98 124.42 1udm s PHE 36 Ca 0.31 -2.30 0.08 0.00 -0.60 0.00 0.00 56.93 54.42 1udm s PHE 36 Cb -0.11 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.35 1udm s PHE 36 CO 0.24 -0.86 0.62 -0.98 0.70 0.00 0.00 175.22 174.94 1udm s ARG 37 N 0.97 2.72 0.06 0.44 1.70 0.22 -2.21 118.95 122.86 1udm s ARG 37 Ca 0.13 -1.28 -0.05 0.00 -0.47 0.00 0.00 55.73 54.07 1udm s ARG 37 Cb -0.20 -2.72 -0.05 0.00 -0.57 0.00 0.00 34.95 31.41 1udm s ARG 37 CO -0.12 -0.40 0.29 0.71 -1.08 0.00 0.00 175.30 174.70 1udm s TYR 38 N -2.43 3.53 -0.00 5.89 1.51 -1.26 0.31 117.35 124.90 1udm s TYR 38 Ca 0.56 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1udm s TYR 38 Cb -0.09 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1udm s TYR 38 CO 0.34 0.55 0.96 -3.47 -1.11 0.00 0.00 175.55 172.82 1udm n ASP 39 N 0.61 1.91 0.00 2.29 2.03 -0.92 -4.92 116.55 117.56 1udm n ASP 39 Ca -0.07 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1udm n ASP 39 Cb 0.52 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.45 0.23 2.28 0.27 0.00 -1.26 -4.86 105.19 101.40 1udm n GLY 40 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.19 -3.62 4.61 0.00 -1.26 -4.99 120.51 115.07 1udm n ALA 41 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 1udm n ALA 41 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.42 -0.70 0.26 0.00 2.01 -1.26 -2.52 115.64 111.00 1udm s THR 42 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1udm s THR 42 Cb 0.00 -0.73 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1udm s THR 42 CO 0.00 0.04 1.38 -0.63 -0.69 0.00 0.00 174.62 174.73 1udm s ILE 43 N 2.65 2.78 -0.07 1.82 1.01 -0.38 -2.17 121.20 126.84 1udm s ILE 43 Ca -0.00 0.68 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 1udm s ILE 43 Cb -0.12 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.95 1udm s ILE 43 CO -0.14 0.12 0.35 0.68 0.00 0.00 0.00 174.94 175.95 1udm s VAL 44 N -0.25 0.03 -0.28 2.92 -7.23 0.15 -0.86 120.40 114.89 1udm s VAL 44 Ca 0.56 -0.27 -0.35 0.00 -1.81 0.00 0.00 61.98 60.12 1udm s VAL 44 Cb -0.40 -0.60 -0.11 0.00 0.56 0.00 0.00 36.38 35.82 1udm s VAL 44 CO 0.45 -0.15 2.08 -2.65 -0.31 0.00 0.00 175.10 174.52 1udm n PRO 45 N 1.88 1.38 0.00 4.82 -0.02 -1.26 -0.61 135.00 141.19 1udm n PRO 45 Ca -0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1udm n PRO 45 Cb 0.57 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 5.77 1.86 3.95 -1.23 0.00 0.24 -4.76 105.19 111.01 1udm n GLY 46 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.02 5.17 -0.28 1.61 1.01 -1.25 -4.90 116.67 117.01 1udm s ASP 47 Ca 0.00 0.19 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 1udm s ASP 47 Cb 0.00 -1.03 0.09 0.00 1.01 0.00 0.00 42.92 43.00 1udm s ASP 47 CO 0.00 -1.26 0.86 -1.58 0.21 0.00 0.00 175.17 173.40 1udm s GLN 48 N -4.92 0.69 0.00 8.23 0.74 -1.26 -1.84 119.66 121.30 1udm s GLN 48 Ca 0.57 0.82 0.00 0.00 0.05 0.00 0.00 55.36 56.80 1udm s GLN 48 Cb -0.10 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.34 1udm s GLN 48 CO 0.41 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1udm n GLY 49 N 2.47 0.52 0.07 2.59 0.00 -1.10 -5.01 105.19 104.74 1udm n GLY 49 Ca -0.13 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.33 2.45 -2.61 4.61 0.00 -1.26 -2.25 120.51 121.12 1udm n ALA 50 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1udm n ALA 50 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -5.16 6.39 0.56 0.00 2.15 -1.26 -4.55 116.67 114.80 1udm s ASP 51 Ca -0.04 -0.11 0.27 0.00 0.43 0.00 0.00 52.55 53.10 1udm s ASP 51 Cb 0.11 -2.50 1.49 0.00 -0.30 0.00 0.00 42.92 41.71 1udm s ASP 51 CO 0.84 -1.39 1.99 0.22 -0.17 0.00 0.00 175.17 176.65 1udm h TYR 52 N 9.47 0.00 0.00 -5.34 5.03 -1.99 0.38 116.97 124.52 1udm h TYR 52 Ca -0.26 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.03 1udm h TYR 52 Cb 1.06 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1udm h TYR 52 CO 0.99 0.00 -0.14 1.96 -1.32 0.00 0.00 178.16 179.65 1udm h GLN 53 N 0.00 0.00 0.00 1.82 7.50 -1.99 -2.39 115.11 120.05 1udm h GLN 53 Ca 0.21 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.21 1udm h GLN 53 Cb 0.97 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 1udm h GLN 53 CO -0.00 0.14 -0.70 0.45 -1.50 0.00 0.00 178.83 177.21 1udm h HIS 54 N 0.00 0.00 0.03 2.96 3.86 -0.63 -3.06 115.15 118.31 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 0.50 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.99 1udm h HIS 54 CO 0.00 0.70 -0.85 0.35 0.86 0.00 0.00 177.93 178.99 1udm h PHE 55 N 0.00 0.81 0.00 2.45 3.57 -1.43 -3.17 116.94 119.17 1udm h PHE 55 Ca -0.01 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1udm h PHE 55 Cb 1.40 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.05 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 0.09 0.00 -0.05 1.41 2.04 -1.55 -1.58 117.51 117.88 1udm h ILE 56 Ca -0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1udm h ILE 56 Cb 1.55 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 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 -2.64 1.37 -0.06 2.37 1.13 -1.15 -3.61 117.38 114.79 1udm n GLN 57 Ca 0.00 -0.55 -0.06 0.00 -1.94 0.00 0.00 57.00 54.45 1udm n GLN 57 Cb 0.21 -1.42 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 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 -0.29 1.87 -2.43 -1.09 1.13 -0.60 -4.94 117.38 111.04 1udm n GLN 58 Ca 0.18 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1udm n GLN 58 Cb 0.22 -1.33 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 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 4.09 0.88 -2.00 0.00 -4.23 -1.26 -4.94 115.64 108.17 1udm s THR 60 Ca 0.55 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 1udm s THR 60 Cb -0.18 -2.64 0.75 0.00 1.34 0.00 0.00 72.50 71.77 1udm s THR 60 CO 0.20 0.00 1.94 -0.90 -0.54 0.00 0.00 174.62 175.32 1udm n ASP 61 N -0.79 0.00 -0.09 3.99 5.68 -1.26 -2.65 116.55 121.43 1udm n ASP 61 Ca -0.03 -0.89 0.08 0.00 -0.50 0.00 0.00 54.79 53.45 1udm n ASP 61 Cb 0.66 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.76 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1udm n ASP 62 N -0.98 2.34 -3.67 -1.12 8.00 -1.26 -2.81 116.55 117.06 1udm n ASP 62 Ca 0.20 -2.89 -0.14 0.00 0.71 0.00 0.00 54.79 52.67 1udm n ASP 62 Cb 0.09 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1udm s VAL 63 N -2.54 0.05 -0.06 2.53 0.11 -1.08 -5.01 120.40 114.39 1udm s VAL 63 Ca 0.27 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1udm s VAL 63 Cb 0.23 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1udm s VAL 63 CO 0.03 -0.22 0.16 0.00 -3.33 0.00 0.00 175.10 171.74 1udm s ARG 64 N -1.91 0.15 -0.07 1.54 3.03 -1.26 -1.27 118.95 119.17 1udm s ARG 64 Ca -0.09 0.28 -0.32 0.00 2.03 0.00 0.00 55.73 57.63 1udm s ARG 64 Cb -0.02 -0.00 0.12 0.00 -1.03 0.00 0.00 34.95 34.02 1udm s ARG 64 CO 0.02 -0.07 1.17 -0.48 -1.13 0.00 0.00 175.30 174.81 1udm s LEU 65 N 0.47 -0.14 0.56 -1.89 -0.00 -0.20 -4.67 118.68 112.80 1udm s LEU 65 Ca -0.03 -0.10 -0.12 0.00 -0.00 0.00 0.00 54.13 53.89 1udm s LEU 65 Cb -0.05 1.54 -0.05 0.00 -0.00 0.00 0.00 46.19 47.64 1udm s LEU 65 CO -0.02 -0.38 0.97 -0.36 -0.00 0.00 0.00 176.35 176.56 1udm s PHE 66 N -2.60 3.56 -0.28 3.48 0.40 -0.94 0.09 117.98 121.69 1udm s PHE 66 Ca 0.11 1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1udm s PHE 66 Cb 0.01 -2.66 0.13 0.00 0.51 0.00 0.00 43.02 41.01 1udm s PHE 66 CO -0.04 -0.50 0.29 0.00 0.70 0.00 0.00 175.22 175.66 1udm s ALA 67 N -2.91 -0.43 -0.29 5.36 0.00 0.41 0.08 121.76 123.98 1udm s ALA 67 Ca 0.55 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.07 1udm s ALA 67 Cb -0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1udm s ALA 67 CO 0.45 -1.64 0.63 0.12 0.00 0.00 0.00 175.76 175.31 1udm s PHE 68 N 2.36 3.24 0.03 0.00 2.19 0.19 0.79 117.98 126.78 1udm s PHE 68 Ca 0.09 0.66 0.08 0.00 0.33 0.00 0.00 56.93 58.09 1udm s PHE 68 Cb -0.14 -2.94 -0.03 0.00 -1.31 0.00 0.00 43.02 38.61 1udm s PHE 68 CO -0.30 -0.42 -0.24 0.08 1.83 0.00 0.00 175.22 176.16 1udm s VAL 69 N 2.57 1.94 -0.27 3.12 1.01 -1.21 -0.35 120.40 127.21 1udm s VAL 69 Ca 0.25 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1udm s VAL 69 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1udm s VAL 69 CO 0.11 0.35 0.32 -0.60 0.00 0.00 0.00 175.10 175.28 1udm s ARG 70 N -1.08 4.01 -0.37 2.72 3.52 0.23 -3.11 118.95 124.86 1udm s ARG 70 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.63 1udm s ARG 70 Cb -0.09 -3.65 0.09 0.00 -1.56 0.00 0.00 34.95 29.73 1udm s ARG 70 CO 0.01 -0.24 0.12 -0.06 -0.81 0.00 0.00 175.30 174.32 1udm s PHE 71 N 1.95 3.50 0.76 5.12 0.40 0.89 -4.95 117.98 125.65 1udm s PHE 71 Ca 0.13 -2.28 -0.15 0.00 -0.60 0.00 0.00 56.93 54.02 1udm s PHE 71 Cb -0.16 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1udm s PHE 71 CO 0.10 -0.91 0.75 0.25 0.70 0.00 0.00 175.22 176.10 1udm n THR 72 N 4.57 1.89 -3.69 0.64 -2.24 -1.26 -0.17 114.28 114.02 1udm n THR 72 Ca -0.05 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1udm n THR 72 Cb 0.42 -0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1udm n THR 72 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1udm s THR 73 N -1.98 0.08 0.00 4.28 -4.23 -0.47 -4.68 115.64 108.64 1udm s THR 73 Ca 0.68 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1udm s THR 73 Cb -0.32 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1udm s THR 73 CO 0.56 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1udm n GLY 74 N 0.14 4.20 3.41 3.99 0.00 -1.26 -2.78 105.19 112.89 1udm n GLY 74 Ca -0.17 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1udm n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1udm n ASP 75 N 0.00 -4.96 -3.95 1.61 -0.08 -1.26 -4.99 116.55 102.91 1udm n ASP 75 Ca 0.00 -0.53 -0.09 0.00 -1.51 0.00 0.00 54.79 52.67 1udm n ASP 75 Cb 0.00 -4.77 -0.05 0.00 2.34 0.00 0.00 41.12 38.64 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1udm s ALA 76 N -3.31 -0.47 0.24 -1.67 0.00 -1.26 -5.03 121.76 110.25 1udm s ALA 76 Ca 0.40 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1udm s ALA 76 Cb -0.17 1.01 0.47 0.00 0.00 0.00 0.00 23.12 24.43 1udm s ALA 76 CO 0.68 -0.88 1.26 -0.12 0.00 0.00 0.00 175.76 176.70 1udm n MET 77 N -0.39 -0.07 -4.39 0.00 1.56 -1.26 -4.53 117.12 108.05 1udm n MET 77 Ca -0.03 1.24 -0.19 0.00 -0.27 0.00 0.00 57.70 58.45 1udm n MET 77 Cb 0.61 -1.90 -0.10 0.00 2.15 0.00 0.00 33.22 33.98 1udm n MET 77 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1udm s SER 78 N -5.13 1.95 0.09 6.12 0.01 -1.26 -5.15 113.70 110.34 1udm s SER 78 Ca -0.11 -1.33 -0.15 0.00 1.31 0.00 0.00 55.95 55.67 1udm s SER 78 Cb 0.23 -0.00 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 1udm s SER 78 CO 0.63 -0.61 0.50 -0.54 0.41 0.00 0.00 173.24 173.64 1udm s LYS 79 N -3.91 3.98 0.34 12.44 1.02 -1.26 -4.77 119.74 127.58 1udm s LYS 79 Ca 0.35 0.48 -0.07 0.00 0.02 0.00 0.00 55.97 56.74 1udm s LYS 79 Cb 0.08 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 1udm s LYS 79 CO 0.13 0.56 0.56 1.03 -0.92 0.00 0.00 175.35 176.71 1udm s ARG 80 N -1.61 1.94 0.05 1.68 0.52 -1.12 -5.07 118.95 115.35 1udm s ARG 80 Ca 0.33 -1.60 0.05 0.00 -0.52 0.00 0.00 55.73 53.98 1udm s ARG 80 Cb -0.16 0.49 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 1udm s ARG 80 CO 0.18 -0.84 -0.14 -1.12 0.02 0.00 0.00 175.30 173.40 1udm s SER 81 N -3.16 1.65 0.48 0.23 0.01 -1.26 -1.37 113.70 110.27 1udm s SER 81 Ca 0.25 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 57.06 1udm s SER 81 Cb -0.02 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1udm s SER 81 CO 0.16 -0.01 0.30 -0.54 0.41 0.00 0.00 173.24 173.56 1udm s LYS 82 N -1.35 2.29 0.31 12.44 -0.14 0.76 -4.89 119.74 129.16 1udm s LYS 82 Ca 0.00 -1.90 -0.17 0.00 -1.36 0.00 0.00 55.97 52.54 1udm s LYS 82 Cb -0.09 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.02 1udm s LYS 82 CO 0.02 -0.36 0.69 -0.06 -0.76 0.00 0.00 175.35 174.88 1udm s PHE 83 N -2.67 0.08 -0.30 3.18 0.40 -1.26 -0.08 117.98 117.33 1udm s PHE 83 Ca 0.37 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.96 1udm s PHE 83 Cb -0.00 0.62 0.16 0.00 0.51 0.00 0.00 43.02 44.31 1udm s PHE 83 CO 0.21 -1.30 1.04 0.00 0.70 0.00 0.00 175.22 175.88 1udm s ALA 84 N -3.37 -2.56 -0.96 5.36 0.00 -1.18 -3.18 121.76 115.87 1udm s ALA 84 Ca 0.15 2.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.97 1udm s ALA 84 Cb -0.05 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.17 1udm s ALA 84 CO 0.10 -0.60 1.64 -1.17 0.00 0.00 0.00 175.76 175.72 1udm s LEU 85 N 1.73 3.36 -0.60 0.00 2.96 -0.82 -3.30 118.68 122.01 1udm s LEU 85 Ca -0.06 -1.09 -0.27 0.00 -0.22 0.00 0.00 54.13 52.49 1udm s LEU 85 Cb -0.04 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1udm s LEU 85 CO -0.15 -2.00 1.81 -0.63 -1.32 0.00 0.00 176.35 174.07 1udm s ILE 86 N 6.98 3.39 -0.66 6.68 1.01 0.24 0.84 121.20 139.67 1udm s ILE 86 Ca 0.55 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.20 1udm s ILE 86 Cb -0.03 -3.99 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1udm s ILE 86 CO -0.05 -0.95 1.04 -0.89 0.00 0.00 0.00 174.94 174.09 1udm s THR 87 N 8.71 4.19 0.22 2.92 2.01 0.44 0.16 115.64 134.28 1udm s THR 87 Ca 0.66 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 1udm s THR 87 Cb -0.13 -4.71 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 1udm s THR 87 CO 0.21 -1.48 0.76 0.86 -0.69 0.00 0.00 174.62 174.28 1udm s TRP 88 N 4.44 3.71 -0.29 4.92 -0.11 0.11 -0.44 118.94 131.28 1udm s TRP 88 Ca 0.27 1.49 0.01 0.00 1.22 0.00 0.00 56.10 59.09 1udm s TRP 88 Cb -0.14 -2.68 0.15 0.00 -1.50 0.00 0.00 33.47 29.30 1udm s TRP 88 CO 0.13 0.36 0.37 0.42 -4.62 0.00 0.00 176.95 173.61 1udm s ILE 89 N -1.45 -0.54 0.11 5.86 1.01 -0.48 -1.04 121.20 124.68 1udm s ILE 89 Ca 0.42 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 1udm s ILE 89 Cb -0.18 -0.97 -0.12 0.00 0.01 0.00 0.00 42.46 41.20 1udm s ILE 89 CO 0.22 -0.36 0.40 0.61 0.00 0.00 0.00 174.94 175.81 1udm n GLY 90 N 5.29 -1.02 0.12 6.18 0.00 -0.40 -4.41 105.19 110.95 1udm n GLY 90 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 0.71 1.09 -0.01 1.61 2.13 -1.25 -3.20 120.64 121.73 1udm n GLU 91 Ca 0.12 -0.13 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1udm n GLU 91 Cb 0.15 -1.09 -0.01 0.00 0.27 0.00 0.00 31.44 30.76 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1udm n ASP 92 N -0.35 4.61 -4.54 4.31 -0.08 -1.12 -5.05 116.55 114.33 1udm n ASP 92 Ca 0.01 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.89 1udm n ASP 92 Cb 0.06 0.61 0.02 0.00 2.34 0.00 0.00 41.12 44.16 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1udm n VAL 93 N -1.99 2.39 -1.93 5.18 0.24 -1.19 -4.89 118.33 116.14 1udm n VAL 93 Ca -0.02 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.39 1udm n VAL 93 Cb 0.48 -0.88 0.02 0.00 -1.47 0.00 0.00 33.84 31.99 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1udm s SER 94 N -0.96 5.75 0.13 -1.34 0.15 -1.26 -4.83 113.70 111.34 1udm s SER 94 Ca 0.66 2.68 -0.20 0.00 0.70 0.00 0.00 55.95 59.79 1udm s SER 94 Cb -0.53 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.15 1udm s SER 94 CO 0.55 -1.24 1.14 0.61 1.20 0.00 0.00 173.24 175.50 1udm n GLY 95 N 0.63 -1.82 0.00 9.45 0.00 -1.26 -1.39 105.19 110.80 1udm n GLY 95 Ca 0.08 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -4.96 0.00 -0.32 0.99 7.94 -1.26 0.18 117.00 119.57 1udm n LEU 96 Ca 0.03 0.68 0.31 0.00 -1.11 0.00 0.00 56.01 55.92 1udm n LEU 96 Cb 0.22 -0.33 0.57 0.00 0.53 0.00 0.00 43.42 44.41 1udm n LEU 96 CO -0.11 -0.33 1.02 0.00 -1.11 0.00 0.00 177.39 176.86 1udm n GLN 97 N -2.58 -0.05 0.08 1.96 1.13 -0.49 0.25 117.38 117.68 1udm n GLN 97 Ca 0.00 1.30 -0.11 0.00 -1.94 0.00 0.00 57.00 56.25 1udm n GLN 97 Cb 0.00 -2.35 -0.05 0.00 0.11 0.00 0.00 30.24 27.95 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 0.23 0.00 -1.09 1.12 0.19 0.48 114.38 115.31 1udm h ARG 98 Ca 0.81 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 59.40 1udm h ARG 98 Cb 2.20 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 32.25 1udm h ARG 98 CO -0.70 1.03 0.00 0.00 -3.11 0.00 0.00 179.97 177.19 1udm h ALA 99 N 0.86 1.00 0.00 2.80 0.00 0.87 -3.27 119.26 121.52 1udm h ALA 99 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 1udm h ALA 99 Cb 1.62 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1udm h ALA 99 CO 0.15 0.00 -2.12 1.63 0.00 0.00 0.00 179.25 178.91 1udm n LYS 100 N -2.68 0.58 -0.36 0.00 4.76 0.26 -3.94 118.16 116.78 1udm n LYS 100 Ca 0.05 0.36 0.33 0.00 -2.87 0.00 0.00 58.31 56.17 1udm n LYS 100 Cb 0.47 -1.57 0.68 0.00 -1.84 0.00 0.00 35.03 32.77 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 -1.00 0.38 0.00 -0.18 2.02 -1.03 0.80 112.91 113.91 1udm h THR 101 Ca -0.58 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 1udm h THR 101 Cb 1.50 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1udm h THR 101 CO -0.35 0.02 -0.80 1.23 0.37 0.00 0.00 175.52 175.99 1udm h GLY 102 N 0.12 0.00 1.71 2.16 0.00 -1.75 -3.21 103.07 102.09 1udm h GLY 102 Ca 0.62 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.70 1udm h GLY 102 CO -0.13 0.00 -1.16 -0.84 0.00 0.00 0.00 176.54 174.42 1udm h THR 103 N 0.00 1.54 0.00 4.70 2.02 0.38 -3.16 112.91 118.40 1udm h THR 103 Ca -0.01 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.09 1udm h THR 103 Cb 1.61 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1udm h THR 103 CO 0.10 0.90 0.00 0.47 0.37 0.00 0.00 175.52 177.36 1udm n ASP 104 N -3.51 0.00 -0.20 4.18 8.00 0.11 -3.53 116.55 121.59 1udm n ASP 104 Ca -0.06 -0.58 0.02 0.00 0.71 0.00 0.00 54.79 54.87 1udm n ASP 104 Cb 0.98 -0.11 0.27 0.00 -0.02 0.00 0.00 41.12 42.24 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 0.94 -0.15 -1.24 3.11 -1.55 -1.06 116.57 116.62 1udm h LYS 105 Ca 0.00 -0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.83 1udm h LYS 105 Cb 0.10 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 1udm h LYS 105 CO 0.00 0.62 0.26 1.15 -2.81 0.00 0.00 179.45 178.67 1udm h THR 106 N 0.96 0.26 0.00 1.00 2.02 -1.80 -0.48 112.91 114.87 1udm h THR 106 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1udm h THR 106 Cb -0.06 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1udm h THR 106 CO -0.07 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.73 1udm h LEU 107 N 0.00 0.01 -1.54 2.58 3.38 -1.46 -3.11 115.31 115.17 1udm h LEU 107 Ca 0.07 -0.95 -0.04 0.00 0.09 0.00 0.00 57.88 57.05 1udm h LEU 107 Cb 0.58 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1udm h LEU 107 CO -0.00 0.96 -0.10 0.58 0.09 0.00 0.00 178.44 179.97 1udm h VAL 108 N -0.94 1.14 -0.57 1.22 2.07 -1.30 -2.50 116.25 115.37 1udm h VAL 108 Ca -0.00 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1udm h VAL 108 Cb 0.97 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1udm h VAL 108 CO 0.00 0.19 -0.05 0.50 0.02 0.00 0.00 177.57 178.24 1udm h LYS 109 N 0.17 1.04 -0.97 1.57 3.11 -1.22 -2.98 116.57 117.28 1udm h LYS 109 Ca 0.04 -0.35 0.36 0.00 -2.81 0.00 0.00 60.65 57.89 1udm h LYS 109 Cb 0.29 -0.08 -0.18 0.00 -1.00 0.00 0.00 32.23 31.26 1udm h LYS 109 CO 0.02 1.04 0.37 0.39 -2.81 0.00 0.00 179.45 178.45 1udm n GLU 110 N -4.16 -0.06 -0.04 1.90 -0.58 -0.94 -0.35 120.64 116.40 1udm n GLU 110 Ca 0.02 1.38 -0.16 0.00 -0.42 0.00 0.00 57.16 57.99 1udm n GLU 110 Cb 0.37 -2.38 -0.13 0.00 -0.57 0.00 0.00 31.44 28.72 1udm n GLU 110 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1udm h VAL 111 N 0.00 1.69 -3.13 2.62 2.07 -1.67 -3.42 116.25 114.40 1udm h VAL 111 Ca 0.75 -2.39 -0.76 0.00 0.82 0.00 0.00 66.70 65.13 1udm h VAL 111 Cb 1.88 3.30 -0.24 0.00 -1.52 0.00 0.00 31.29 34.71 1udm h VAL 111 CO -0.80 0.62 -0.25 0.54 0.02 0.00 0.00 177.57 177.71 1udm s VAL 112 N -2.28 5.15 -0.00 2.57 0.11 0.53 -4.80 120.40 121.69 1udm s VAL 112 Ca -0.18 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 1udm s VAL 112 Cb -0.02 -4.28 -0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1udm s VAL 112 CO 0.72 -0.83 0.00 0.00 -3.33 0.00 0.00 175.10 171.66 1udm n GLN 113 N 5.22 3.84 0.26 1.54 6.02 -1.20 -4.50 117.38 128.56 1udm n GLN 113 Ca -0.13 -0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1udm n GLN 113 Cb 0.41 -1.00 0.69 0.00 1.02 0.00 0.00 30.24 31.36 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -0.69 1.08 -1.24 -1.91 -3.44 115.58 109.38 1udm h ASN 114 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1udm h ASN 114 Cb 0.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1udm h ASN 114 CO 0.00 0.12 -0.00 2.22 -1.29 0.00 0.00 177.43 178.47 1udm n PHE 115 N -3.87 -1.32 -0.03 0.67 -1.74 -1.26 -4.98 117.46 104.93 1udm n PHE 115 Ca -0.02 -0.01 -0.02 0.00 -0.56 0.00 0.00 57.45 56.84 1udm n PHE 115 Cb 0.21 -0.05 -0.01 0.00 1.52 0.00 0.00 39.48 41.16 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 -1.99 0.23 -3.50 1.98 0.00 -1.19 -4.96 120.51 111.07 1udm n ALA 116 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1udm n ALA 116 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.52 0.92 0.09 0.00 2.20 -1.26 -5.04 119.74 115.13 1udm s LYS 117 Ca -0.08 -0.19 -0.25 0.00 -0.36 0.00 0.00 55.97 55.10 1udm s LYS 117 Cb 0.01 0.42 -0.06 0.00 -1.51 0.00 0.00 37.83 36.69 1udm s LYS 117 CO 0.11 -0.37 0.75 -1.83 -0.36 0.00 0.00 175.35 173.66 1udm s GLU 118 N -2.67 4.50 -0.38 4.03 -1.05 -1.26 -1.95 118.70 119.92 1udm s GLU 118 Ca 0.01 1.07 -0.07 0.00 -0.15 0.00 0.00 54.97 55.83 1udm s GLU 118 Cb -0.01 -3.32 0.06 0.00 -0.44 0.00 0.00 34.13 30.43 1udm s GLU 118 CO -0.06 0.41 0.18 -0.06 0.95 0.00 0.00 175.26 176.68 1udm s PHE 119 N -0.51 3.32 -0.71 4.83 0.40 0.25 -4.85 117.98 120.71 1udm s PHE 119 Ca 0.37 -1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 54.87 1udm s PHE 119 Cb -0.21 -2.64 0.04 0.00 0.51 0.00 0.00 43.02 40.72 1udm s PHE 119 CO 0.24 -0.80 1.17 0.08 0.70 0.00 0.00 175.22 176.61 1udm s VAL 120 N 1.38 3.93 0.01 -0.44 1.01 -1.26 0.17 120.40 125.21 1udm s VAL 120 Ca 0.01 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1udm s VAL 120 Cb -0.21 -4.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.30 1udm s VAL 120 CO 0.02 -1.70 -0.07 -0.63 0.00 0.00 0.00 175.10 172.72 1udm s ILE 121 N 5.15 3.65 -0.01 2.22 1.01 0.42 -4.95 121.20 128.68 1udm s ILE 121 Ca 0.31 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1udm s ILE 121 Cb -0.11 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1udm s ILE 121 CO 0.14 0.36 0.04 -1.20 0.00 0.00 0.00 174.94 174.28 1udm n SER 122 N 1.46 4.10 -4.30 3.58 7.64 -1.26 -1.38 113.62 123.45 1udm n SER 122 Ca -0.15 -0.06 -0.34 0.00 1.01 0.00 0.00 58.87 59.33 1udm n SER 122 Cb 0.52 1.07 -0.15 0.00 -1.01 0.00 0.00 64.21 64.65 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm s ASP 123 N -2.08 3.93 0.41 6.43 2.15 -1.26 -3.75 116.67 122.49 1udm s ASP 123 Ca -0.00 -0.41 0.16 0.00 0.43 0.00 0.00 52.55 52.73 1udm s ASP 123 Cb 0.01 -1.63 1.05 0.00 -0.30 0.00 0.00 42.92 42.05 1udm s ASP 123 CO 0.07 0.07 1.84 0.03 -0.17 0.00 0.00 175.17 177.01 1udm h ARG 124 N 7.42 0.43 0.00 4.34 3.08 -1.94 0.35 114.38 128.07 1udm h ARG 124 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1udm h ARG 124 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1udm h ARG 124 CO 0.58 0.29 0.22 -0.22 -1.07 0.00 0.00 179.97 179.77 1udm h LYS 125 N 0.44 0.00 0.00 0.04 1.63 -2.01 0.63 116.57 117.30 1udm h LYS 125 Ca 0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1udm h LYS 125 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1udm h LYS 125 CO -0.20 0.00 -1.46 0.39 -3.45 0.00 0.00 179.45 174.73 1udm n GLU 126 N -2.24 0.72 0.14 1.90 1.02 0.12 -4.26 120.64 118.04 1udm n GLU 126 Ca -0.01 -0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.14 1udm n GLU 126 Cb 0.25 -1.42 0.51 0.00 -0.02 0.00 0.00 31.44 30.75 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udm n LEU 127 N -1.86 0.66 -4.47 -4.62 7.99 0.22 -4.52 117.00 110.41 1udm n LEU 127 Ca -0.01 0.68 -0.46 0.00 -0.01 0.00 0.00 56.01 56.21 1udm n LEU 127 Cb 0.41 -0.61 -0.08 0.00 -0.11 0.00 0.00 43.42 43.03 1udm n LEU 127 CO 0.39 -0.61 1.94 -0.62 -1.51 0.00 0.00 177.39 176.97 1udm n GLU 128 N -2.25 0.78 -0.46 3.23 1.02 -1.22 -4.73 120.64 117.00 1udm n GLU 128 Ca 0.02 0.15 0.38 0.00 -0.02 0.00 0.00 57.16 57.68 1udm n GLU 128 Cb 0.21 -2.42 0.62 0.00 -0.02 0.00 0.00 31.44 29.83 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 8.40 -0.02 -0.12 3.49 2.13 -1.26 0.16 120.64 133.42 1udm n GLU 129 Ca 0.46 1.04 -0.06 0.00 0.66 0.00 0.00 57.16 59.27 1udm n GLU 129 Cb 0.24 -2.14 0.03 0.00 0.27 0.00 0.00 31.44 29.84 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1udm h ASP 130 N 0.00 0.16 -0.31 4.31 3.32 -1.94 -1.94 116.42 120.03 1udm h ASP 130 Ca 0.77 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.78 1udm h ASP 130 Cb 2.67 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 42.23 1udm h ASP 130 CO -0.30 0.13 -0.11 0.15 -1.72 0.00 0.00 179.24 177.39 1udm h PHE 131 N 0.31 0.80 0.01 4.55 3.57 0.13 -3.11 116.94 123.20 1udm h PHE 131 Ca 0.18 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1udm h PHE 131 Cb 0.15 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1udm h PHE 131 CO -0.14 0.81 -0.13 0.82 -2.23 0.00 0.00 178.31 177.43 1udm h ILE 132 N 0.67 0.67 -0.08 1.41 1.08 -1.09 -2.93 117.51 117.24 1udm h ILE 132 Ca 0.11 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 1udm h ILE 132 Cb 0.58 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.94 1udm h ILE 132 CO 0.04 0.00 -0.48 0.03 -0.69 0.00 0.00 178.15 177.04 1udm h ARG 133 N -0.23 -0.56 -0.98 2.37 -0.00 -1.31 -1.00 114.38 112.67 1udm h ARG 133 Ca 0.04 0.04 0.31 0.00 -0.50 0.00 0.00 59.98 59.87 1udm h ARG 133 Cb 0.28 0.13 -0.18 0.00 0.00 0.00 0.00 29.97 30.20 1udm h ARG 133 CO -0.12 -0.37 0.19 0.77 0.00 0.00 0.00 179.97 180.44 1udm h SER 134 N -0.58 -0.20 0.83 7.04 0.02 -1.49 0.02 113.55 119.19 1udm h SER 134 Ca 0.05 0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1udm h SER 134 Cb 0.67 0.40 0.01 0.00 0.14 0.00 0.00 62.40 63.62 1udm h SER 134 CO -0.39 -0.35 -0.40 -0.33 -1.14 0.00 0.00 176.83 174.22 1udm h GLU 135 N 0.04 -1.08 -0.96 3.45 4.39 -1.02 -2.86 114.58 116.53 1udm h GLU 135 Ca 0.66 0.07 0.31 0.00 0.34 0.00 0.00 59.36 60.74 1udm h GLU 135 Cb 1.48 0.24 -0.16 0.00 -0.10 0.00 0.00 28.75 30.22 1udm h GLU 135 CO -0.84 -0.72 0.35 -0.07 -1.16 0.00 0.00 179.01 176.57 1udm h LEU 136 N -1.12 0.11 -0.97 1.33 3.38 -0.56 1.94 115.31 119.42 1udm h LEU 136 Ca -0.11 0.23 0.23 0.00 0.09 0.00 0.00 57.88 58.32 1udm h LEU 136 Cb 0.86 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 1udm h LEU 136 CO 0.18 -0.27 0.55 0.50 0.09 0.00 0.00 178.44 179.49 1udm h LYS 137 N 0.14 0.54 -0.11 1.13 3.64 -1.08 -0.84 116.57 120.00 1udm h LYS 137 Ca 0.68 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1udm h LYS 137 Cb 1.57 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1udm h LYS 137 CO -0.73 0.36 0.00 1.63 -2.27 0.00 0.00 179.45 178.44 1udm n LYS 138 N -4.91 1.80 -1.44 1.90 5.02 0.23 -5.01 118.16 115.75 1udm n LYS 138 Ca 0.25 -1.44 -0.52 0.00 -2.02 0.00 0.00 58.31 54.59 1udm n LYS 138 Cb 0.70 -1.12 -0.08 0.00 -0.02 0.00 0.00 35.03 34.51 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1udm n ALA 139 N 0.12 0.94 -2.21 7.82 0.00 0.60 -4.88 120.51 122.90 1udm n ALA 139 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1udm n ALA 139 Cb 0.27 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 6.51 0.76 2.60 0.00 0.00 -1.26 -4.84 105.19 108.96 1udm n GLY 140 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 5.00 -0.00 3.75 -0.02 0.00 -1.26 -3.22 105.19 109.43 1udm n GLY 141 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 142 N -3.39 -1.59 -2.59 4.61 0.00 -1.26 -4.89 120.51 111.40 1udm n ALA 142 Ca -0.09 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1udm n ALA 142 Cb 0.57 -3.68 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 1udm n ALA 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1udm s ASN 143 N -3.74 6.23 1.19 0.00 4.22 -1.20 -5.01 114.94 116.63 1udm s ASN 143 Ca 0.38 -0.38 -0.20 0.00 -2.14 0.00 0.00 52.86 50.52 1udm s ASN 143 Cb -0.19 -2.54 0.29 0.00 1.28 0.00 0.00 41.25 40.09 1udm s ASN 143 CO 0.80 -1.70 1.16 -0.72 -2.04 0.00 0.00 177.10 174.60 1udm s TYR 144 N 5.34 0.40 0.16 1.54 -0.85 -1.26 -5.03 117.35 117.66 1udm s TYR 144 Ca 0.35 0.37 -0.18 0.00 -0.52 0.00 0.00 57.07 57.09 1udm s TYR 144 Cb -0.09 -3.64 -0.07 0.00 0.38 0.00 0.00 41.96 38.54 1udm s TYR 144 CO 0.17 -3.81 0.62 -0.51 -1.52 0.00 0.00 175.55 170.50 1udm s ASP 145 N -4.18 6.97 -0.07 -0.18 1.01 -1.26 -5.07 116.67 113.89 1udm s ASP 145 Ca 0.73 1.26 -0.10 0.00 0.71 0.00 0.00 52.55 55.14 1udm s ASP 145 Cb -0.07 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1udm s ASP 145 CO 0.55 0.11 0.26 0.00 0.21 0.00 0.00 175.17 176.30 1udm s ALA 146 N -1.41 3.80 0.02 5.23 0.00 -1.26 -5.10 121.76 123.05 1udm s ALA 146 Ca 0.38 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1udm s ALA 146 Cb -0.17 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1udm s ALA 146 CO 0.20 0.56 -0.10 -0.65 0.00 0.00 0.00 175.76 175.77 1udm s GLN 147 N -1.06 0.74 -0.16 0.00 -1.52 -1.26 -5.15 119.66 111.25 1udm s GLN 147 Ca 0.19 -0.58 -0.08 0.00 -1.95 0.00 0.00 55.36 52.94 1udm s GLN 147 Cb -0.14 -0.69 0.06 0.00 -0.22 0.00 0.00 33.01 32.02 1udm s GLN 147 CO 0.08 0.17 0.37 -1.12 -0.25 0.00 0.00 175.29 174.54 1udm s SER 148 N -0.87 -0.41 0.00 5.90 0.01 -1.26 -5.21 113.70 111.86 1udm s SER 148 Ca -0.00 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1udm s SER 148 Cb -0.06 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1udm s SER 148 CO 0.00 -0.19 0.30 -0.62 0.41 0.00 0.00 173.24 173.15