#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 -0.17 -5.44 1.61 4.64 -2.14 -3.45 113.55 108.59 1udm h SER 2 Ca 0.00 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 1udm h SER 2 Cb 0.00 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 1udm h SER 2 CO 0.00 -0.05 -0.28 -1.61 -0.87 0.00 0.00 176.83 174.02 1udm s GLU 3 N -6.18 1.59 0.00 4.77 0.41 -1.26 -5.18 118.70 112.85 1udm s GLU 3 Ca -0.13 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 52.89 1udm s GLU 3 Cb 0.14 0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.90 1udm s GLU 3 CO 0.71 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 1udm n GLY 4 N -0.42 -1.56 2.71 -1.39 0.00 -1.26 -5.15 105.19 98.12 1udm n GLY 4 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.70 0.15 0.18 4.61 0.00 -1.26 -5.03 121.76 118.71 1udm s ALA 5 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1udm s ALA 5 Cb 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1udm s ALA 5 CO 0.00 -0.41 1.84 0.00 0.00 0.00 0.00 175.76 177.19 1udm h ALA 6 N 8.17 0.77 -3.21 0.00 0.00 -2.02 -3.42 119.26 119.55 1udm h ALA 6 Ca -0.20 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.01 1udm h ALA 6 Cb 1.12 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1udm h ALA 6 CO 0.22 0.23 -0.61 -0.08 0.00 0.00 0.00 179.25 179.01 1udm s THR 7 N -6.07 4.47 -0.14 0.00 -1.32 -1.26 -5.02 115.64 106.30 1udm s THR 7 Ca -0.13 -0.67 0.16 0.00 -1.21 0.00 0.00 61.69 59.84 1udm s THR 7 Cb 0.13 -3.10 -0.24 0.00 -1.51 0.00 0.00 72.50 67.78 1udm s THR 7 CO 0.76 0.22 0.32 1.15 -2.21 0.00 0.00 174.62 174.86 1udm n MET 8 N 0.80 0.67 -0.40 7.08 0.00 -1.26 -4.97 117.12 119.03 1udm n MET 8 Ca -0.11 0.11 -0.28 0.00 0.00 0.00 0.00 57.70 57.43 1udm n MET 8 Cb 0.52 -1.63 0.25 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 n ALA 9 N -2.66 -3.72 -2.56 3.17 0.00 -1.26 -5.04 120.51 108.44 1udm n ALA 9 Ca -0.26 -1.53 -0.23 0.00 0.00 0.00 0.00 53.44 51.43 1udm n ALA 9 Cb 1.10 -1.56 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 1udm n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 10 N -2.19 1.26 0.49 0.00 2.01 -1.26 -5.04 115.64 110.90 1udm s THR 10 Ca 0.61 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1udm s THR 10 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1udm s THR 10 CO 0.56 0.22 0.23 -0.54 -0.69 0.00 0.00 174.62 174.40 1udm s LYS 11 N -0.73 2.23 -0.03 4.92 -0.14 -1.24 -5.04 119.74 119.71 1udm s LYS 11 Ca 0.05 -2.05 -0.05 0.00 -1.36 0.00 0.00 55.97 52.56 1udm s LYS 11 Cb -0.07 -1.92 0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1udm s LYS 11 CO 0.00 -0.38 0.13 -1.50 -0.76 0.00 0.00 175.35 172.84 1udm s ILE 12 N -2.74 0.03 -0.09 2.17 2.07 -1.26 -2.22 121.20 119.16 1udm s ILE 12 Ca 0.29 -0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1udm s ILE 12 Cb 0.01 -0.27 -0.10 0.00 0.13 0.00 0.00 42.46 42.23 1udm s ILE 12 CO 0.17 -0.13 2.88 0.47 -1.91 0.00 0.00 174.94 176.42 1udm n ASP 13 N 2.51 5.55 -0.05 4.50 9.92 -0.14 -4.73 116.55 134.11 1udm n ASP 13 Ca -0.16 -2.61 0.01 0.00 -0.53 0.00 0.00 54.79 51.50 1udm n ASP 13 Cb 0.58 -1.28 0.02 0.00 -0.64 0.00 0.00 41.12 39.80 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 1.79 -0.01 0.15 -1.24 5.02 -1.26 0.24 118.16 122.84 1udm n LYS 14 Ca 0.30 0.22 -0.16 0.00 -2.02 0.00 0.00 58.31 56.64 1udm n LYS 14 Cb 0.71 -0.33 -0.09 0.00 -0.02 0.00 0.00 35.03 35.30 1udm n LYS 14 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1udm h GLU 15 N 0.00 -0.76 -0.22 1.97 4.11 -1.98 0.34 114.58 118.04 1udm h GLU 15 Ca 0.07 0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.45 1udm h GLU 15 Cb 0.10 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1udm h GLU 15 CO -0.15 -0.51 -0.30 0.00 0.07 0.00 0.00 179.01 178.13 1udm h ALA 16 N -0.53 1.08 0.67 1.06 0.00 0.26 -3.14 119.26 118.67 1udm h ALA 16 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1udm h ALA 16 Cb 0.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1udm h ALA 16 CO -0.24 0.57 -0.32 0.00 0.00 0.00 0.00 179.25 179.26 1udm h ARG 18 N -0.95 0.19 0.14 0.00 2.43 -0.39 0.24 114.38 116.04 1udm h ARG 18 Ca -0.09 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1udm h ARG 18 Cb 0.69 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1udm h ARG 18 CO 0.15 0.13 -0.19 0.00 -1.51 0.00 0.00 179.97 178.55 1udm h ALA 19 N 1.82 -0.34 -0.41 2.80 0.00 -1.46 -0.34 119.26 121.33 1udm h ALA 19 Ca 0.77 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.62 1udm h ALA 19 Cb 2.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 1udm h ALA 19 CO -0.59 -0.73 0.16 0.00 0.00 0.00 0.00 179.25 178.10 1udm h ALA 20 N 0.41 0.53 0.00 0.00 0.00 -0.39 -0.96 119.26 118.85 1udm h ALA 20 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1udm h ALA 20 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1udm h ALA 20 CO -0.08 0.14 -0.01 -0.92 0.00 0.00 0.00 179.25 178.37 1udm h TYR 21 N 0.52 0.00 0.04 0.00 3.20 -0.93 -2.64 116.97 117.16 1udm h TYR 21 Ca 0.14 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 1udm h TYR 21 Cb 0.19 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1udm h TYR 21 CO -0.00 0.01 -1.09 -0.91 -1.64 0.00 0.00 178.16 174.53 1udm h ASN 22 N 0.00 0.14 0.00 -2.11 2.35 -0.35 -2.16 115.58 113.45 1udm h ASN 22 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1udm h ASN 22 Cb 0.06 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1udm h ASN 22 CO 0.00 1.45 0.49 -0.07 -1.65 0.00 0.00 177.43 177.65 1udm h LEU 23 N -0.73 0.00 0.00 1.61 -0.00 -0.82 0.33 115.31 115.69 1udm h LEU 23 Ca -0.27 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.37 1udm h LEU 23 Cb 1.42 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.04 1udm h LEU 23 CO -0.07 0.00 -1.93 0.52 -0.00 0.00 0.00 178.44 176.96 1udm n VAL 24 N -2.55 0.93 0.04 1.22 0.31 -1.18 -3.58 118.33 113.52 1udm n VAL 24 Ca -0.01 -0.40 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1udm n VAL 24 Cb 0.52 -1.00 0.27 0.00 -0.91 0.00 0.00 33.84 32.71 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1udm h ARG 25 N 0.00 0.42 -7.01 5.55 2.43 -0.28 -3.45 114.38 112.05 1udm h ARG 25 Ca -0.36 -0.13 -0.54 0.00 -0.81 0.00 0.00 59.98 58.14 1udm h ARG 25 Cb 1.61 -0.04 0.19 0.00 -0.42 0.00 0.00 29.97 31.31 1udm h ARG 25 CO -0.04 0.59 0.02 -3.47 -1.51 0.00 0.00 179.97 175.55 1udm n ASP 26 N -4.19 -0.00 -0.33 -3.80 2.03 0.95 -4.86 116.55 106.35 1udm n ASP 26 Ca 0.00 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1udm n ASP 26 Cb 0.34 -1.39 0.06 0.00 -0.72 0.00 0.00 41.12 39.41 1udm n ASP 26 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1udm h ASP 27 N -0.92 -1.18 -0.17 1.67 5.19 -1.90 -3.37 116.42 115.74 1udm h ASP 27 Ca -0.46 0.28 -0.14 0.00 -0.62 0.00 0.00 57.03 56.10 1udm h ASP 27 Cb 1.31 0.66 -0.14 0.00 0.18 0.00 0.00 39.33 41.33 1udm h ASP 27 CO 0.43 -0.30 -0.32 0.61 -3.12 0.00 0.00 179.24 176.54 1udm n GLY 28 N -1.51 -0.76 0.82 2.75 0.00 -1.26 -4.99 105.19 100.25 1udm n GLY 28 Ca 0.10 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.68 1udm n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1udm n SER 29 N 1.90 2.05 -0.90 1.61 2.88 -1.25 -4.77 113.62 115.13 1udm n SER 29 Ca 0.08 -2.15 -0.09 0.00 -1.33 0.00 0.00 58.87 55.38 1udm n SER 29 Cb 0.64 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 1udm n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1udm n ALA 30 N 0.14 -0.21 -3.46 -1.46 0.00 -1.26 -4.94 120.51 109.32 1udm n ALA 30 Ca 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1udm n ALA 30 Cb 0.46 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.41 -0.02 0.00 0.00 1.01 -1.23 -3.69 120.40 114.05 1udm s VAL 31 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1udm s VAL 31 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1udm s VAL 31 CO 0.00 0.03 0.00 2.30 0.00 0.00 0.00 175.10 177.43 1udm n ILE 32 N 3.62 0.00 -4.03 2.22 -5.35 -1.05 -4.03 119.36 110.73 1udm n ILE 32 Ca -0.19 -0.09 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1udm n ILE 32 Cb 0.56 0.57 -0.13 0.00 -1.74 0.00 0.00 39.64 38.89 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 -1.68 0.35 -0.07 4.28 1.48 -0.97 0.01 118.94 122.33 1udm s TRP 33 Ca 0.00 -0.20 -0.03 0.00 -1.06 0.00 0.00 56.10 54.81 1udm s TRP 33 Cb 0.00 -0.22 0.04 0.00 -1.16 0.00 0.00 33.47 32.13 1udm s TRP 33 CO 0.00 -0.04 0.16 0.14 -4.06 0.00 0.00 176.95 173.15 1udm s VAL 34 N -0.51 -0.06 0.11 -0.66 -7.23 -0.15 -2.87 120.40 109.03 1udm s VAL 34 Ca -0.03 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.34 1udm s VAL 34 Cb -0.04 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1udm s VAL 34 CO -0.00 0.08 0.22 0.42 -0.31 0.00 0.00 175.10 175.51 1udm s THR 35 N 1.26 5.21 -0.34 5.32 -4.23 -1.08 0.46 115.64 122.25 1udm s THR 35 Ca -0.08 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1udm s THR 35 Cb -0.11 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.22 1udm s THR 35 CO -0.06 0.02 0.13 -0.36 -0.54 0.00 0.00 174.62 173.80 1udm s PHE 36 N -1.62 1.82 0.61 3.99 0.08 0.16 0.23 117.98 123.25 1udm s PHE 36 Ca 0.34 -1.93 0.07 0.00 0.12 0.00 0.00 56.93 55.52 1udm s PHE 36 Cb -0.12 -1.77 0.10 0.00 -0.57 0.00 0.00 43.02 40.66 1udm s PHE 36 CO 0.27 -0.86 0.85 -0.98 -0.10 0.00 0.00 175.22 174.40 1udm s ARG 37 N 1.29 2.13 -0.01 0.44 1.70 -0.48 -2.48 118.95 121.54 1udm s ARG 37 Ca 0.12 -1.49 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1udm s ARG 37 Cb -0.19 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.59 1udm s ARG 37 CO -0.18 -1.03 0.20 0.71 -1.08 0.00 0.00 175.30 173.93 1udm s TYR 38 N -2.80 3.56 -0.07 5.89 2.02 -1.26 -0.12 117.35 124.57 1udm s TYR 38 Ca 0.63 0.42 0.08 0.00 -0.37 0.00 0.00 57.07 57.83 1udm s TYR 38 Cb -0.06 -1.87 0.13 0.00 -0.40 0.00 0.00 41.96 39.76 1udm s TYR 38 CO 0.40 0.64 1.07 -3.47 -1.57 0.00 0.00 175.55 172.62 1udm n ASP 39 N 1.02 2.17 0.00 2.29 -0.08 -0.81 -4.92 116.55 116.22 1udm n ASP 39 Ca -0.11 -2.46 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1udm n ASP 39 Cb 0.53 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 40 N -0.88 0.52 2.25 0.27 0.00 -1.26 -4.84 105.19 101.25 1udm n GLY 40 Ca 0.07 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.29 -3.65 4.61 0.00 -1.26 -4.99 120.51 114.93 1udm n ALA 41 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1udm n ALA 41 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.53 -0.86 0.15 0.00 2.01 -1.26 -3.71 115.64 109.43 1udm s THR 42 Ca 0.00 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 1udm s THR 42 Cb 0.00 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 1udm s THR 42 CO 0.00 0.00 1.31 -0.63 -0.69 0.00 0.00 174.62 174.61 1udm s ILE 43 N 2.74 3.42 -0.06 1.82 1.01 -0.94 -1.92 121.20 127.26 1udm s ILE 43 Ca -0.06 1.09 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 1udm s ILE 43 Cb -0.11 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1udm s ILE 43 CO -0.19 0.12 0.24 0.68 0.00 0.00 0.00 174.94 175.80 1udm s VAL 44 N 0.58 0.03 -0.18 2.92 -7.23 0.83 -0.97 120.40 116.38 1udm s VAL 44 Ca 0.59 -0.23 -0.37 0.00 -1.81 0.00 0.00 61.98 60.17 1udm s VAL 44 Cb -0.35 -0.42 -0.13 0.00 0.56 0.00 0.00 36.38 36.04 1udm s VAL 44 CO 0.34 -0.13 1.84 -2.65 -0.31 0.00 0.00 175.10 174.19 1udm n PRO 45 N 2.33 1.72 0.00 4.82 -0.02 -1.26 -1.38 135.00 141.21 1udm n PRO 45 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1udm n PRO 45 Cb 0.57 -2.42 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 4.41 1.20 3.94 -1.23 0.00 0.14 -4.80 105.19 108.84 1udm n GLY 46 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 4.79 -0.28 1.61 1.11 -1.26 -4.92 116.67 116.73 1udm s ASP 47 Ca 0.00 0.38 -0.22 0.00 0.18 0.00 0.00 52.55 52.89 1udm s ASP 47 Cb 0.00 -1.02 0.10 0.00 1.07 0.00 0.00 42.92 43.07 1udm s ASP 47 CO 0.00 -1.60 0.84 -1.58 1.18 0.00 0.00 175.17 174.01 1udm s GLN 48 N -5.22 0.65 0.00 8.23 0.74 -1.26 -2.63 119.66 120.17 1udm s GLN 48 Ca 0.60 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.90 1udm s GLN 48 Cb -0.10 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.26 1udm s GLN 48 CO 0.44 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.50 1udm n GLY 49 N 3.04 0.61 0.03 2.59 0.00 -1.14 -5.01 105.19 105.31 1udm n GLY 49 Ca -0.15 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.17 3.48 -2.64 4.61 0.00 -1.24 -2.30 120.51 122.25 1udm n ALA 50 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1udm n ALA 50 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.94 6.36 0.54 0.00 -1.08 -1.26 -4.57 116.67 112.73 1udm s ASP 51 Ca 0.02 -0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.04 1udm s ASP 51 Cb 0.14 -2.45 1.42 0.00 -1.46 0.00 0.00 42.92 40.57 1udm s ASP 51 CO 0.83 -1.25 2.00 0.22 0.52 0.00 0.00 175.17 177.49 1udm h TYR 52 N 9.33 0.00 0.00 -5.34 5.03 -1.99 0.37 116.97 124.37 1udm h TYR 52 Ca -0.26 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.05 1udm h TYR 52 Cb 1.07 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1udm h TYR 52 CO 0.93 0.00 -0.03 1.96 -1.32 0.00 0.00 178.16 179.70 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.30 115.11 113.71 1udm h GLN 53 Ca 0.23 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.29 1udm h GLN 53 Cb 0.94 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 1udm h GLN 53 CO -0.00 0.03 -0.74 0.45 -0.95 0.00 0.00 178.83 177.61 1udm h HIS 54 N 0.00 0.00 0.07 2.96 3.86 -0.66 -3.20 115.15 118.18 1udm h HIS 54 Ca -0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1udm h HIS 54 Cb 0.43 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.92 1udm h HIS 54 CO 0.00 0.59 -0.89 0.35 0.86 0.00 0.00 177.93 178.83 1udm h PHE 55 N 0.00 0.77 0.00 2.45 3.57 -1.36 -3.20 116.94 119.17 1udm h PHE 55 Ca -0.04 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1udm h PHE 55 Cb 1.48 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1udm h PHE 55 CO 0.00 1.31 0.00 0.82 -2.23 0.00 0.00 178.31 178.21 1udm h ILE 56 N 0.00 0.00 -0.08 1.41 2.04 -1.60 -1.53 117.51 117.75 1udm h ILE 56 Ca -0.13 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1udm h ILE 56 Cb 1.61 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 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 -2.57 1.46 -0.05 2.37 1.13 -1.21 -3.67 117.38 114.84 1udm n GLN 57 Ca 0.01 -0.68 -0.06 0.00 -1.94 0.00 0.00 57.00 54.33 1udm n GLN 57 Cb 0.20 -1.39 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 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 -0.12 2.17 -2.74 -1.09 1.13 -0.58 -4.93 117.38 111.22 1udm n GLN 58 Ca 0.17 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 1udm n GLN 58 Cb 0.24 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 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 3.60 1.04 -1.75 0.00 -4.23 -1.26 -4.95 115.64 108.09 1udm s THR 60 Ca 0.41 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1udm s THR 60 Cb -0.12 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1udm s THR 60 CO 0.19 0.00 0.91 -0.67 -0.54 0.00 0.00 174.62 174.50 1udm n ASP 61 N -1.21 0.40 -0.29 3.99 2.03 -1.26 -2.97 116.55 117.24 1udm n ASP 61 Ca -0.12 -2.01 0.05 0.00 0.52 0.00 0.00 54.79 53.23 1udm n ASP 61 Cb 0.66 -0.14 0.07 0.00 -0.72 0.00 0.00 41.12 40.99 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1udm n ASP 62 N -0.31 1.12 -3.67 1.67 2.03 -1.26 -3.16 116.55 112.96 1udm n ASP 62 Ca 0.01 -2.51 -0.11 0.00 0.52 0.00 0.00 54.79 52.71 1udm n ASP 62 Cb 0.09 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.36 0.08 -0.15 5.18 0.11 -1.16 -4.97 120.40 118.13 1udm s VAL 63 Ca 0.15 -0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 58.47 1udm s VAL 63 Cb 0.13 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1udm s VAL 63 CO 0.01 -0.36 0.36 0.00 -3.33 0.00 0.00 175.10 171.78 1udm s ARG 64 N -3.60 0.34 0.05 1.54 3.03 -1.26 -0.09 118.95 118.96 1udm s ARG 64 Ca 0.02 0.70 -0.28 0.00 2.03 0.00 0.00 55.73 58.20 1udm s ARG 64 Cb 0.02 -0.04 0.09 0.00 -1.03 0.00 0.00 34.95 33.99 1udm s ARG 64 CO -0.10 -0.15 0.98 -0.48 -1.13 0.00 0.00 175.30 174.41 1udm s LEU 65 N 1.30 -0.24 0.49 -1.89 -0.00 -0.12 -4.73 118.68 113.49 1udm s LEU 65 Ca -0.09 -0.18 -0.12 0.00 -0.00 0.00 0.00 54.13 53.74 1udm s LEU 65 Cb -0.09 1.98 -0.06 0.00 -0.00 0.00 0.00 46.19 48.02 1udm s LEU 65 CO -0.11 -0.68 0.89 -0.36 -0.00 0.00 0.00 176.35 176.09 1udm s PHE 66 N -3.08 3.51 -0.25 3.48 0.40 -1.03 -0.35 117.98 120.65 1udm s PHE 66 Ca 0.09 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.60 1udm s PHE 66 Cb -0.01 -2.59 0.11 0.00 0.51 0.00 0.00 43.02 41.04 1udm s PHE 66 CO -0.04 -0.33 0.24 0.00 0.70 0.00 0.00 175.22 175.80 1udm s ALA 67 N -2.66 -0.26 -0.43 5.36 0.00 0.17 0.38 121.76 124.31 1udm s ALA 67 Ca 0.54 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 1udm s ALA 67 Cb -0.10 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1udm s ALA 67 CO 0.37 -1.47 0.70 0.12 0.00 0.00 0.00 175.76 175.49 1udm s PHE 68 N 2.32 3.04 0.07 0.00 5.36 0.17 0.77 117.98 129.72 1udm s PHE 68 Ca 0.08 0.07 0.07 0.00 -0.96 0.00 0.00 56.93 56.20 1udm s PHE 68 Cb -0.15 -3.45 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1udm s PHE 68 CO -0.24 -0.89 -0.16 0.08 -1.46 0.00 0.00 175.22 172.55 1udm s VAL 69 N 3.00 2.98 0.07 3.12 1.01 -0.89 -0.98 120.40 128.71 1udm s VAL 69 Ca 0.26 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 1udm s VAL 69 Cb -0.13 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 1udm s VAL 69 CO 0.20 0.23 0.70 -0.60 0.00 0.00 0.00 175.10 175.63 1udm s ARG 70 N -1.77 4.42 -0.29 2.72 3.52 0.10 -1.64 118.95 126.01 1udm s ARG 70 Ca 0.17 0.96 -0.03 0.00 -0.13 0.00 0.00 55.73 56.69 1udm s ARG 70 Cb -0.11 -3.31 0.10 0.00 -1.56 0.00 0.00 34.95 30.07 1udm s ARG 70 CO 0.08 0.44 0.12 -0.06 -0.81 0.00 0.00 175.30 175.08 1udm s PHE 71 N -0.57 0.63 0.08 5.12 0.08 -1.26 -4.83 117.98 117.23 1udm s PHE 71 Ca 0.34 -1.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.16 1udm s PHE 71 Cb -0.21 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 1udm s PHE 71 CO 0.22 -0.83 1.29 1.79 -0.10 0.00 0.00 175.22 177.59 1udm h THR 72 N 6.43 0.00 -0.65 0.64 1.35 -1.92 0.25 112.91 119.01 1udm h THR 72 Ca -0.19 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.53 1udm h THR 72 Cb 1.01 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.38 1udm h THR 72 CO 0.44 0.00 -0.13 0.35 -0.25 0.00 0.00 175.52 175.94 1udm n THR 73 N -4.18 0.00 -3.20 6.82 -2.24 -1.26 -3.64 114.28 106.58 1udm n THR 73 Ca -0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1udm n THR 73 Cb 0.16 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.31 1udm n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1udm n GLY 74 N 0.22 2.31 0.09 3.38 0.00 -1.22 -4.17 105.19 105.80 1udm n GLY 74 Ca -0.07 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 1.90 1.90 -0.01 1.61 2.03 -1.21 -4.11 116.55 118.67 1udm n ASP 75 Ca 0.23 0.42 -0.01 0.00 0.52 0.00 0.00 54.79 55.95 1udm n ASP 75 Cb 0.52 -0.81 -0.01 0.00 -0.72 0.00 0.00 41.12 40.11 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1udm n ALA 76 N -4.12 1.97 -0.02 -1.67 0.00 -1.26 -4.90 120.51 110.51 1udm n ALA 76 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1udm n ALA 76 Cb 0.53 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1udm n ALA 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1udm n MET 77 N -2.54 0.00 -2.28 0.00 0.00 -1.26 -4.97 117.12 106.07 1udm n MET 77 Ca -0.02 0.48 -0.26 0.00 -0.00 0.00 0.00 57.70 57.89 1udm n MET 77 Cb 0.52 -0.98 0.16 0.00 0.00 0.00 0.00 33.22 32.93 1udm n MET 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1udm n SER 78 N -1.98 0.80 -4.11 6.12 2.88 -1.26 -5.05 113.62 111.01 1udm n SER 78 Ca 0.00 -1.85 -0.14 0.00 -1.33 0.00 0.00 58.87 55.55 1udm n SER 78 Cb 0.00 -0.82 -0.11 0.00 -0.75 0.00 0.00 64.21 62.53 1udm n SER 78 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1udm s LYS 79 N -5.50 0.67 1.76 -1.46 -0.14 -1.26 -3.36 119.74 110.46 1udm s LYS 79 Ca 0.71 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 1udm s LYS 79 Cb -0.03 -0.44 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 1udm s LYS 79 CO 0.48 0.08 0.00 0.54 -0.76 0.00 0.00 175.35 175.69 1udm n ARG 80 N 1.14 -0.10 -3.80 1.68 1.74 -1.26 -4.70 116.66 111.35 1udm n ARG 80 Ca -0.20 0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 56.73 1udm n ARG 80 Cb 0.56 -0.12 -0.03 0.00 -1.02 0.00 0.00 32.46 31.84 1udm n ARG 80 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1udm s SER 81 N -4.10 5.41 -0.00 0.55 1.04 -1.24 -3.46 113.70 111.91 1udm s SER 81 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1udm s SER 81 Cb 0.00 -1.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.06 1udm s SER 81 CO 0.00 -0.33 -0.00 0.29 0.98 0.00 0.00 173.24 174.18 1udm n LYS 82 N -1.39 2.71 -0.49 4.02 4.76 0.07 -4.94 118.16 122.90 1udm n LYS 82 Ca -0.02 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.48 1udm n LYS 82 Cb 0.59 -1.01 -0.02 0.00 -1.84 0.00 0.00 35.03 32.76 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1udm n PHE 83 N -2.17 -2.39 -3.65 2.13 3.01 -1.23 0.43 117.46 113.60 1udm n PHE 83 Ca -0.01 0.61 0.03 0.00 1.01 0.00 0.00 57.45 59.09 1udm n PHE 83 Cb 0.51 -1.04 -0.06 0.00 -0.01 0.00 0.00 39.48 38.88 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.71 -2.69 -0.90 4.37 0.00 -0.65 -3.34 121.76 116.84 1udm s ALA 84 Ca 0.00 1.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 1udm s ALA 84 Cb 0.00 -2.00 0.11 0.00 0.00 0.00 0.00 23.12 21.22 1udm s ALA 84 CO 0.00 -0.31 1.16 -1.17 0.00 0.00 0.00 175.76 175.44 1udm s LEU 85 N 1.01 4.65 -0.57 0.00 2.96 -0.59 -2.09 118.68 124.05 1udm s LEU 85 Ca -0.08 -1.75 -0.28 0.00 -0.22 0.00 0.00 54.13 51.80 1udm s LEU 85 Cb -0.02 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.24 1udm s LEU 85 CO -0.10 -1.21 1.47 -0.63 -1.32 0.00 0.00 176.35 174.56 1udm s ILE 86 N 3.34 3.72 -0.67 6.68 1.01 0.23 0.12 121.20 135.64 1udm s ILE 86 Ca 0.33 0.59 -0.23 0.00 0.00 0.00 0.00 60.65 61.34 1udm s ILE 86 Cb -0.06 -4.38 0.07 0.00 0.01 0.00 0.00 42.46 38.09 1udm s ILE 86 CO -0.06 -1.16 0.99 -0.89 0.00 0.00 0.00 174.94 173.82 1udm s THR 87 N 6.41 4.27 0.23 2.92 2.01 0.30 0.43 115.64 132.21 1udm s THR 87 Ca 0.54 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 1udm s THR 87 Cb -0.11 -4.71 -0.09 0.00 0.01 0.00 0.00 72.50 67.61 1udm s THR 87 CO 0.24 -1.49 0.81 0.86 -0.69 0.00 0.00 174.62 174.35 1udm s TRP 88 N 4.21 3.76 -0.29 4.92 -0.11 0.52 -1.10 118.94 130.86 1udm s TRP 88 Ca 0.23 1.61 0.02 0.00 1.22 0.00 0.00 56.10 59.18 1udm s TRP 88 Cb -0.16 -2.77 0.16 0.00 -1.50 0.00 0.00 33.47 29.20 1udm s TRP 88 CO 0.11 0.37 0.39 0.42 -4.62 0.00 0.00 176.95 173.61 1udm s ILE 89 N -1.41 -0.60 -0.00 5.86 1.01 -0.80 -0.94 121.20 124.31 1udm s ILE 89 Ca 0.43 -0.33 -0.34 0.00 0.00 0.00 0.00 60.65 60.40 1udm s ILE 89 Cb -0.20 -0.99 -0.17 0.00 0.01 0.00 0.00 42.46 41.12 1udm s ILE 89 CO 0.24 -0.32 0.92 0.61 0.00 0.00 0.00 174.94 176.39 1udm n GLY 90 N 5.33 -0.23 0.00 6.18 0.00 0.87 -4.49 105.19 112.86 1udm n GLY 90 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 46.02 46.72 1udm n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1udm n GLU 91 N 1.30 0.62 -0.01 1.61 1.02 -1.25 -2.27 120.64 121.67 1udm n GLU 91 Ca 0.17 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.32 1udm n GLU 91 Cb 0.07 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1udm n ASP 92 N -0.71 3.94 -4.50 1.62 -0.08 -1.19 -5.05 116.55 110.58 1udm n ASP 92 Ca 0.06 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.96 1udm n ASP 92 Cb 0.03 1.02 0.04 0.00 2.34 0.00 0.00 41.12 44.55 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 -1.82 2.55 -1.71 5.18 0.24 -0.96 -4.84 118.33 116.98 1udm n VAL 93 Ca -0.03 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 1udm n VAL 93 Cb 0.28 -0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.85 1udm n VAL 93 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1udm n SER 94 N 0.26 3.19 -0.37 -1.34 3.41 -1.26 -4.82 113.62 112.70 1udm n SER 94 Ca 0.12 1.16 -0.04 0.00 -0.26 0.00 0.00 58.87 59.85 1udm n SER 94 Cb 0.47 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.91 1udm n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udm n GLY 95 N 1.83 -2.09 0.39 5.00 0.00 -1.26 -0.51 105.19 108.55 1udm n GLY 95 Ca 0.09 1.07 -0.07 0.00 0.00 0.00 0.00 46.02 47.11 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -1.57 -0.81 0.99 7.12 -1.98 0.22 115.31 119.29 1udm h LEU 96 Ca 0.26 0.28 0.18 0.00 0.13 0.00 0.00 57.88 58.73 1udm h LEU 96 Cb 0.50 0.74 -0.15 0.00 -0.53 0.00 0.00 40.66 41.22 1udm h LEU 96 CO -0.91 -0.30 -0.09 1.56 -0.13 0.00 0.00 178.44 178.57 1udm h GLN 97 N -0.12 0.04 -0.37 1.25 1.08 -1.14 0.62 115.11 116.47 1udm h GLN 97 Ca 0.23 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.36 1udm h GLN 97 Cb 0.55 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1udm h GLN 97 CO -0.82 0.03 -0.06 -0.09 -0.95 0.00 0.00 178.83 176.94 1udm h ARG 98 N 0.04 0.61 0.00 1.46 2.43 -0.47 0.19 114.38 118.64 1udm h ARG 98 Ca 0.42 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1udm h ARG 98 Cb 0.72 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1udm h ARG 98 CO -0.77 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 178.36 1udm h ALA 99 N 1.37 1.00 0.00 2.80 0.00 0.19 -3.20 119.26 121.43 1udm h ALA 99 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1udm h ALA 99 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1udm h ALA 99 CO 0.02 0.00 -2.08 1.63 0.00 0.00 0.00 179.25 178.83 1udm n LYS 100 N -2.57 0.57 -0.33 0.00 4.76 0.01 -4.12 118.16 116.48 1udm n LYS 100 Ca 0.02 0.30 0.27 0.00 -2.87 0.00 0.00 58.31 56.03 1udm n LYS 100 Cb 0.27 -1.52 0.50 0.00 -1.84 0.00 0.00 35.03 32.44 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 0.05 -0.41 -0.18 2.02 -0.70 0.82 112.91 113.50 1udm h THR 101 Ca -0.53 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 1udm h THR 101 Cb 1.45 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1udm h THR 101 CO -0.32 0.01 -0.17 1.23 0.37 0.00 0.00 175.52 176.64 1udm h GLY 102 N 0.05 0.91 1.44 2.16 0.00 -1.77 -3.11 103.07 102.76 1udm h GLY 102 Ca 0.77 -0.80 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1udm h GLY 102 CO -0.78 0.73 -0.42 -0.84 0.00 0.00 0.00 176.54 175.22 1udm h THR 103 N 0.66 1.30 0.00 4.70 2.02 0.30 -2.54 112.91 119.34 1udm h THR 103 Ca 0.10 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1udm h THR 103 Cb 0.72 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1udm h THR 103 CO 0.05 0.51 0.00 0.47 0.37 0.00 0.00 175.52 176.92 1udm n ASP 104 N -4.02 0.00 -0.05 4.18 8.00 0.85 -2.60 116.55 122.90 1udm n ASP 104 Ca -0.02 0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.51 1udm n ASP 104 Cb 0.53 -0.24 0.22 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.65 -0.39 -1.24 3.64 -1.39 -2.37 116.57 115.47 1udm h LYS 105 Ca 0.00 -0.16 0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1udm h LYS 105 Cb 0.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1udm h LYS 105 CO 0.00 0.68 0.47 1.15 -2.27 0.00 0.00 179.45 179.48 1udm h THR 106 N 0.61 0.32 0.00 1.00 2.02 -1.71 0.69 112.91 115.84 1udm h THR 106 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1udm h THR 106 Cb 0.41 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1udm h THR 106 CO 0.02 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.58 1udm h LEU 107 N 0.00 0.00 -1.75 2.58 3.38 -1.67 -3.23 115.31 114.62 1udm h LEU 107 Ca 0.19 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1udm h LEU 107 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1udm h LEU 107 CO -0.00 1.00 0.22 0.58 0.09 0.00 0.00 178.44 180.33 1udm h VAL 108 N -1.00 1.02 -0.35 1.22 2.07 -1.28 -1.40 116.25 116.53 1udm h VAL 108 Ca -0.06 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1udm h VAL 108 Cb 0.88 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1udm h VAL 108 CO -0.04 0.06 -0.12 0.50 0.02 0.00 0.00 177.57 177.99 1udm h LYS 109 N 0.33 0.61 -1.05 1.57 3.64 -1.03 -2.42 116.57 118.22 1udm h LYS 109 Ca 0.13 -0.19 0.31 0.00 -1.27 0.00 0.00 60.65 59.64 1udm h LYS 109 Cb 0.12 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 31.75 1udm h LYS 109 CO -0.03 0.72 0.63 0.93 -2.27 0.00 0.00 179.45 179.43 1udm h GLU 110 N 0.56 0.34 0.11 1.90 4.39 -1.26 -0.95 114.58 119.67 1udm h GLU 110 Ca 0.10 -0.02 -0.32 0.00 0.34 0.00 0.00 59.36 59.46 1udm h GLU 110 Cb 0.54 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1udm h GLU 110 CO 0.03 0.23 -1.67 0.28 -1.16 0.00 0.00 179.01 176.73 1udm h VAL 111 N 0.36 0.84 -2.93 3.13 2.07 -1.63 -3.43 116.25 114.66 1udm h VAL 111 Ca 0.70 -2.36 -0.71 0.00 0.82 0.00 0.00 66.70 65.16 1udm h VAL 111 Cb 1.68 2.57 -0.20 0.00 -1.52 0.00 0.00 31.29 33.82 1udm h VAL 111 CO -0.50 0.75 0.17 -0.69 0.02 0.00 0.00 177.57 177.32 1udm s VAL 112 N -2.51 4.87 0.00 2.57 1.01 -0.36 -4.73 120.40 121.25 1udm s VAL 112 Ca -0.22 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1udm s VAL 112 Cb 0.06 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1udm s VAL 112 CO 0.76 -1.15 0.00 0.00 0.00 0.00 0.00 175.10 174.70 1udm n GLN 113 N 6.17 2.98 0.21 2.72 6.02 -1.24 -4.54 117.38 129.71 1udm n GLN 113 Ca -0.05 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.01 1udm n GLN 113 Cb 0.43 -0.91 0.45 0.00 1.02 0.00 0.00 30.24 31.24 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 -0.82 1.08 -1.24 -1.93 -3.45 115.58 109.22 1udm h ASN 114 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1udm h ASN 114 Cb 0.81 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.88 1udm h ASN 114 CO 0.00 0.29 -0.01 2.22 -1.29 0.00 0.00 177.43 178.64 1udm n PHE 115 N -3.63 -1.47 -0.02 0.67 -1.74 -1.26 -4.91 117.46 105.11 1udm n PHE 115 Ca -0.01 -0.03 -0.02 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.42 -0.15 -0.01 0.00 1.52 0.00 0.00 39.48 41.26 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 -2.26 0.18 -3.48 1.98 0.00 0.17 -4.90 120.51 112.21 1udm n ALA 116 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 1udm n ALA 116 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.43 1.25 -0.10 0.00 2.20 -1.26 -5.04 119.74 115.36 1udm s LYS 117 Ca -0.06 -0.49 -0.25 0.00 -0.36 0.00 0.00 55.97 54.81 1udm s LYS 117 Cb 0.01 0.55 -0.03 0.00 -1.51 0.00 0.00 37.83 36.86 1udm s LYS 117 CO 0.09 -0.55 0.79 -1.83 -0.36 0.00 0.00 175.35 173.49 1udm s GLU 118 N -3.66 4.40 -0.50 4.03 4.04 -1.26 -1.54 118.70 124.22 1udm s GLU 118 Ca 0.03 1.01 -0.15 0.00 0.04 0.00 0.00 54.97 55.90 1udm s GLU 118 Cb -0.01 -3.50 0.10 0.00 0.02 0.00 0.00 34.13 30.74 1udm s GLU 118 CO -0.10 -0.11 0.42 -0.06 -1.84 0.00 0.00 175.26 173.57 1udm s PHE 119 N 1.37 3.27 -0.71 4.83 0.40 0.34 -4.88 117.98 122.60 1udm s PHE 119 Ca 0.40 -1.20 -0.27 0.00 -0.60 0.00 0.00 56.93 55.25 1udm s PHE 119 Cb -0.18 -3.44 0.03 0.00 0.51 0.00 0.00 43.02 39.95 1udm s PHE 119 CO 0.17 -0.91 1.25 0.08 0.70 0.00 0.00 175.22 176.51 1udm s VAL 120 N 1.58 3.80 -0.03 -0.44 1.01 -1.26 0.11 120.40 125.17 1udm s VAL 120 Ca 0.04 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1udm s VAL 120 Cb -0.27 -4.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.21 1udm s VAL 120 CO 0.04 -1.75 -0.15 -0.63 0.00 0.00 0.00 175.10 172.61 1udm s ILE 121 N 5.53 2.97 -0.00 2.22 1.01 -0.25 -4.94 121.20 127.73 1udm s ILE 121 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1udm s ILE 121 Cb -0.08 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 1udm s ILE 121 CO 0.17 0.54 0.00 -1.20 0.00 0.00 0.00 174.94 174.45 1udm n SER 122 N 2.17 3.54 -4.28 3.58 7.64 -1.26 -1.91 113.62 123.10 1udm n SER 122 Ca -0.17 -0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1udm n SER 122 Cb 0.52 1.00 -0.15 0.00 -1.01 0.00 0.00 64.21 64.57 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 -1.72 3.61 0.36 6.43 2.15 -1.26 -3.75 116.67 122.50 1udm s ASP 123 Ca -0.00 -0.46 0.12 0.00 0.43 0.00 0.00 52.55 52.64 1udm s ASP 123 Cb 0.00 -1.54 0.90 0.00 -0.30 0.00 0.00 42.92 41.98 1udm s ASP 123 CO 0.00 0.12 1.83 0.03 -0.17 0.00 0.00 175.17 176.98 1udm h ARG 124 N 7.03 0.58 0.00 4.34 3.08 -1.94 0.26 114.38 127.73 1udm h ARG 124 Ca -0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1udm h ARG 124 CO 0.54 0.39 0.36 -0.22 -1.07 0.00 0.00 179.97 179.97 1udm h LYS 125 N 0.60 0.00 0.00 0.04 3.11 -2.01 0.91 116.57 119.22 1udm h LYS 125 Ca 0.51 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.35 1udm h LYS 125 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1udm h LYS 125 CO -0.25 0.00 -1.79 0.39 -2.81 0.00 0.00 179.45 174.99 1udm n GLU 126 N -2.41 0.60 0.19 1.90 1.02 0.89 -4.25 120.64 118.60 1udm n GLU 126 Ca -0.01 -0.16 0.14 0.00 -0.02 0.00 0.00 57.16 57.11 1udm n GLU 126 Cb 0.39 -1.47 0.65 0.00 -0.02 0.00 0.00 31.44 30.98 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 -8.39 -4.62 -0.00 0.94 -3.42 115.31 99.82 1udm h LEU 127 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 1udm h LEU 127 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.49 1udm h LEU 127 CO 0.00 0.00 1.57 -0.62 -0.00 0.00 0.00 178.44 179.39 1udm n GLU 128 N -2.50 0.74 -0.42 1.13 1.02 -1.20 -4.74 120.64 114.66 1udm n GLU 128 Ca 0.00 0.12 0.37 0.00 -0.02 0.00 0.00 57.16 57.63 1udm n GLU 128 Cb 0.17 -2.44 0.62 0.00 -0.02 0.00 0.00 31.44 29.77 1udm n GLU 128 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1udm n GLU 129 N 8.47 -0.04 -0.20 3.49 0.28 -1.26 0.13 120.64 131.52 1udm n GLU 129 Ca 0.47 1.20 -0.00 0.00 -0.16 0.00 0.00 57.16 58.67 1udm n GLU 129 Cb 0.25 -2.32 0.10 0.00 1.43 0.00 0.00 31.44 30.90 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1udm h ASP 130 N 0.00 0.17 -0.34 -1.84 5.19 -1.94 -1.14 116.42 116.52 1udm h ASP 130 Ca 0.82 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 57.21 1udm h ASP 130 Cb 2.58 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 42.16 1udm h ASP 130 CO -0.48 0.10 -0.19 0.15 -3.12 0.00 0.00 179.24 175.70 1udm h PHE 131 N 0.36 0.92 -0.33 4.55 3.57 0.83 -3.11 116.94 123.73 1udm h PHE 131 Ca 0.30 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1udm h PHE 131 Cb 0.39 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1udm h PHE 131 CO -0.19 0.93 0.06 0.82 -2.23 0.00 0.00 178.31 177.71 1udm h ILE 132 N 0.72 0.83 0.06 1.41 1.08 -0.98 -2.93 117.51 117.71 1udm h ILE 132 Ca 0.10 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1udm h ILE 132 Cb 0.70 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 1udm h ILE 132 CO 0.05 0.03 -0.52 0.03 -0.69 0.00 0.00 178.15 177.06 1udm h ARG 133 N 0.17 -0.67 -0.95 2.37 -0.00 -1.28 -0.84 114.38 113.19 1udm h ARG 133 Ca 0.16 0.05 0.40 0.00 -0.50 0.00 0.00 59.98 60.08 1udm h ARG 133 Cb 0.18 0.15 -0.17 0.00 0.00 0.00 0.00 29.97 30.13 1udm h ARG 133 CO -0.21 -0.45 0.50 0.45 0.00 0.00 0.00 179.97 180.27 1udm n SER 134 N -5.36 0.32 0.29 7.04 2.88 -1.11 -0.13 113.62 117.55 1udm n SER 134 Ca -0.08 1.57 -0.14 0.00 -1.33 0.00 0.00 58.87 58.90 1udm n SER 134 Cb 0.39 -0.76 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 1udm n SER 134 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1udm h GLU 135 N 0.00 -0.73 -0.60 -1.46 4.39 -1.10 -3.04 114.58 112.04 1udm h GLU 135 Ca 0.80 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.64 1udm h GLU 135 Cb 2.12 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 30.86 1udm h GLU 135 CO -0.73 -0.43 0.22 -0.07 -1.16 0.00 0.00 179.01 176.84 1udm h LEU 136 N -1.08 0.22 -0.92 1.33 3.38 0.05 0.54 115.31 118.84 1udm h LEU 136 Ca -0.08 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1udm h LEU 136 Cb 0.64 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 1udm h LEU 136 CO 0.13 0.14 0.43 0.11 0.09 0.00 0.00 178.44 179.33 1udm h LYS 137 N 0.41 0.41 -0.31 1.13 1.57 -0.62 0.26 116.57 119.42 1udm h LYS 137 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1udm h LYS 137 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1udm h LYS 137 CO -0.30 0.27 0.00 0.36 -0.57 0.00 0.00 179.45 179.21 1udm n LYS 138 N -5.02 3.22 -0.32 3.15 2.85 -0.48 -4.74 118.16 116.81 1udm n LYS 138 Ca 0.23 -2.88 0.06 0.00 -1.05 0.00 0.00 58.31 54.67 1udm n LYS 138 Cb 0.69 -1.90 0.13 0.00 -0.65 0.00 0.00 35.03 33.30 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1udm n ALA 139 N -0.32 0.22 -3.20 0.58 0.00 0.18 -3.73 120.51 114.25 1udm n ALA 139 Ca 0.22 0.97 -0.37 0.00 0.00 0.00 0.00 53.44 54.26 1udm n ALA 139 Cb 0.93 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 1udm n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1udm s GLY 140 N -4.23 1.77 0.00 0.00 0.00 -1.26 -4.63 107.32 98.97 1udm s GLY 140 Ca -0.13 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1udm s GLY 140 CO 0.69 0.61 0.00 0.61 0.00 0.00 0.00 173.10 175.01 1udm n GLY 141 N 4.87 3.45 7.00 0.20 0.00 -1.25 -5.12 105.19 114.34 1udm n GLY 141 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 -2.21 4.61 0.00 -1.24 -4.56 120.51 117.11 1udm n ALA 142 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1udm n ALA 142 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -4.00 6.00 1.40 0.00 2.20 -1.26 -4.99 114.94 114.29 1udm s ASN 143 Ca 0.00 0.77 -0.23 0.00 -0.94 0.00 0.00 52.86 52.47 1udm s ASN 143 Cb 0.00 -2.54 0.35 0.00 -2.00 0.00 0.00 41.25 37.06 1udm s ASN 143 CO 0.00 -1.72 0.92 0.00 -2.94 0.00 0.00 177.10 173.36 1udm n TYR 144 N 10.00 -3.80 -3.06 1.54 0.18 -1.26 -5.05 117.16 115.71 1udm n TYR 144 Ca 0.18 -0.85 -0.19 0.00 1.88 0.00 0.00 57.90 58.92 1udm n TYR 144 Cb 0.48 -1.18 0.04 0.00 -0.38 0.00 0.00 39.34 38.30 1udm n TYR 144 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1udm s ASP 145 N -3.49 5.28 -0.32 9.48 -4.77 -1.26 -5.02 116.67 116.56 1udm s ASP 145 Ca 0.66 -0.71 -0.28 0.00 -3.30 0.00 0.00 52.55 48.92 1udm s ASP 145 Cb -0.10 -0.04 -0.03 0.00 -1.09 0.00 0.00 42.92 41.66 1udm s ASP 145 CO 0.54 -1.13 1.95 0.00 0.70 0.00 0.00 175.17 177.23 1udm s ALA 146 N -2.56 2.74 0.14 2.11 0.00 -1.26 -4.88 121.76 118.05 1udm s ALA 146 Ca 0.59 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 1udm s ALA 146 Cb -0.07 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 1udm s ALA 146 CO 0.36 -2.82 1.62 0.37 0.00 0.00 0.00 175.76 175.29 1udm h GLN 147 N 13.90 -0.35 -7.18 0.00 -0.00 -2.05 -3.41 115.11 116.02 1udm h GLN 147 Ca -0.35 0.02 -0.43 0.00 -0.00 0.00 0.00 58.65 57.90 1udm h GLN 147 Cb 1.19 0.08 0.20 0.00 0.00 0.00 0.00 27.48 28.95 1udm h GLN 147 CO 1.03 -0.23 0.02 -1.54 0.00 0.00 0.00 178.83 178.11 1udm s SER 148 N -4.95 0.80 0.00 -0.69 1.04 -1.26 -5.33 113.70 103.31 1udm s SER 148 Ca -0.15 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1udm s SER 148 Cb 0.11 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1udm s SER 148 CO 0.66 -4.27 0.00 -1.84 0.98 0.00 0.00 173.24 168.77