#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 -3.65 -4.07 1.61 7.64 -1.26 -4.96 113.62 108.94 1udm n SER 2 Ca 0.00 -0.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.91 1udm n SER 2 Cb 0.00 -3.41 -0.10 0.00 -1.01 0.00 0.00 64.21 59.68 1udm n SER 2 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1udm s GLU 3 N -6.69 0.56 0.00 1.43 0.41 -1.26 -4.97 118.70 108.17 1udm s GLU 3 Ca 0.59 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 1udm s GLU 3 Cb -0.31 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.12 1udm s GLU 3 CO 0.87 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.98 1udm n GLY 4 N 0.59 1.41 3.24 -1.39 0.00 -1.26 -4.94 105.19 102.84 1udm n GLY 4 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 -0.96 -0.36 4.61 0.00 -1.26 -4.78 121.76 117.01 1udm s ALA 5 Ca 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 1udm s ALA 5 Cb 0.00 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.36 1udm s ALA 5 CO 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 175.76 175.61 1udm s ALA 6 N 1.23 2.98 -0.51 0.00 0.00 -1.26 -4.93 121.76 119.27 1udm s ALA 6 Ca -0.08 -2.29 -0.22 0.00 0.00 0.00 0.00 51.96 49.36 1udm s ALA 6 Cb -0.08 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1udm s ALA 6 CO -0.10 -1.60 0.80 0.95 0.00 0.00 0.00 175.76 175.80 1udm s THR 7 N 1.11 4.62 -1.24 0.00 -4.23 -1.26 -4.14 115.64 110.51 1udm s THR 7 Ca 0.04 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1udm s THR 7 Cb -0.21 -4.40 0.01 0.00 1.34 0.00 0.00 72.50 69.24 1udm s THR 7 CO -0.04 -0.90 1.06 0.23 -0.54 0.00 0.00 174.62 174.43 1udm n MET 8 N 6.84 -7.12 -3.55 3.99 2.81 -1.26 -5.00 117.12 113.84 1udm n MET 8 Ca -0.01 0.80 -0.14 0.00 -1.81 0.00 0.00 57.70 56.54 1udm n MET 8 Cb 0.47 -5.72 -0.06 0.00 -0.71 0.00 0.00 33.22 27.21 1udm n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1udm s ALA 9 N -3.32 -1.86 -0.17 3.04 0.00 -1.26 -5.18 121.76 113.01 1udm s ALA 9 Ca 0.35 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.51 1udm s ALA 9 Cb -0.15 -0.42 0.08 0.00 0.00 0.00 0.00 23.12 22.62 1udm s ALA 9 CO 0.69 -0.33 0.74 0.99 0.00 0.00 0.00 175.76 177.85 1udm s THR 10 N -1.11 0.00 0.38 0.00 2.01 -1.26 -4.74 115.64 110.92 1udm s THR 10 Ca -0.06 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.01 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 0.05 0.00 0.23 -0.54 -0.69 0.00 0.00 174.62 173.68 1udm s LYS 11 N -0.42 1.88 0.03 4.92 1.02 -1.22 -5.06 119.74 120.89 1udm s LYS 11 Ca -0.05 -2.13 -0.01 0.00 0.02 0.00 0.00 55.97 53.80 1udm s LYS 11 Cb -0.02 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1udm s LYS 11 CO 0.05 -0.62 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.34 1udm s ILE 12 N -3.30 0.14 -0.36 2.17 2.07 -1.26 -1.37 121.20 119.29 1udm s ILE 12 Ca 0.33 -1.19 -0.02 0.00 -1.41 0.00 0.00 60.65 58.36 1udm s ILE 12 Cb 0.02 -0.70 0.13 0.00 0.13 0.00 0.00 42.46 42.04 1udm s ILE 12 CO 0.23 -0.66 2.40 0.47 -1.91 0.00 0.00 174.94 175.48 1udm n ASP 13 N 1.07 6.42 -0.08 4.50 9.92 -0.61 -4.75 116.55 133.03 1udm n ASP 13 Ca -0.21 -3.10 0.04 0.00 -0.53 0.00 0.00 54.79 51.00 1udm n ASP 13 Cb 0.57 -1.15 0.08 0.00 -0.64 0.00 0.00 41.12 39.98 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 0.66 -0.02 0.34 -1.24 5.02 -1.26 0.22 118.16 121.88 1udm n LYS 14 Ca 0.38 0.34 -0.19 0.00 -2.02 0.00 0.00 58.31 56.83 1udm n LYS 14 Cb 0.58 -0.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.94 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 -1.01 -0.11 1.97 5.08 -1.99 0.33 114.58 118.84 1udm h GLU 15 Ca 0.15 0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1udm h GLU 15 Cb 0.33 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1udm h GLU 15 CO -0.21 -0.67 -0.36 0.00 -1.00 0.00 0.00 179.01 176.77 1udm h ALA 16 N -0.89 1.19 0.48 3.43 0.00 0.23 -3.21 119.26 120.49 1udm h ALA 16 Ca -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1udm h ALA 16 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1udm h ALA 16 CO 0.01 0.54 -0.23 0.00 0.00 0.00 0.00 179.25 179.57 1udm h ARG 18 N -0.86 0.13 0.01 0.00 2.43 -0.36 0.47 114.38 116.21 1udm h ARG 18 Ca -0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1udm h ARG 18 Cb 0.58 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1udm h ARG 18 CO 0.11 0.09 -0.01 0.00 -1.51 0.00 0.00 179.97 178.65 1udm h ALA 19 N 1.92 -0.02 -0.61 2.80 0.00 -1.56 -0.47 119.26 121.32 1udm h ALA 19 Ca 0.75 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.53 1udm h ALA 19 Cb 1.81 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1udm h ALA 19 CO -0.72 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.03 1udm h ALA 20 N 0.93 0.82 0.00 0.00 0.00 -0.12 0.24 119.26 121.13 1udm h ALA 20 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1udm h ALA 20 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1udm h ALA 20 CO 0.00 0.68 0.00 -0.92 0.00 0.00 0.00 179.25 179.01 1udm h TYR 21 N 0.99 0.00 0.05 0.00 5.03 -0.35 -3.06 116.97 119.63 1udm h TYR 21 Ca 0.17 0.00 -0.36 0.00 2.58 0.00 0.00 58.73 61.12 1udm h TYR 21 Cb 0.58 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.82 1udm h TYR 21 CO 0.04 0.00 -2.06 0.09 -1.32 0.00 0.00 178.16 174.91 1udm n ASN 22 N -2.58 2.02 0.29 -2.11 3.02 -0.20 -3.01 115.26 112.68 1udm n ASN 22 Ca 0.01 0.17 0.09 0.00 -0.03 0.00 0.00 54.58 54.83 1udm n ASN 22 Cb 0.23 -0.76 0.50 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.28 0.00 0.00 3.41 -0.00 -0.86 0.30 115.31 117.88 1udm h LEU 23 Ca -0.49 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.11 1udm h LEU 23 Cb 1.81 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.42 1udm h LEU 23 CO -0.08 0.00 -2.05 0.55 -0.00 0.00 0.00 178.44 176.85 1udm n VAL 24 N -2.57 1.06 0.19 1.22 3.14 -1.23 -4.18 118.33 115.97 1udm n VAL 24 Ca -0.01 -0.44 0.03 0.00 -2.96 0.00 0.00 64.34 60.96 1udm n VAL 24 Cb 0.53 -1.08 0.40 0.00 -1.06 0.00 0.00 33.84 32.63 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 0.01 -7.27 1.45 2.43 -0.82 -3.44 114.38 106.73 1udm h ARG 25 Ca -0.41 -0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.24 1udm h ARG 25 Cb 1.69 -0.00 0.16 0.00 -0.42 0.00 0.00 29.97 31.39 1udm h ARG 25 CO -0.05 0.32 0.30 0.34 -1.51 0.00 0.00 179.97 179.36 1udm s ASP 26 N -6.95 3.92 -0.19 -3.80 2.15 0.83 -4.95 116.67 107.68 1udm s ASP 26 Ca -0.03 2.04 0.15 0.00 0.43 0.00 0.00 52.55 55.15 1udm s ASP 26 Cb 0.15 -2.55 0.68 0.00 -0.30 0.00 0.00 42.92 40.90 1udm s ASP 26 CO 0.72 -2.43 1.60 -0.90 -0.17 0.00 0.00 175.17 173.98 1udm n ASP 27 N -3.60 4.83 0.00 -0.34 5.75 -1.26 -4.27 116.55 117.66 1udm n ASP 27 Ca 0.11 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1udm n ASP 27 Cb 0.52 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.26 -0.45 3.20 6.12 0.00 -1.26 -5.01 105.19 108.06 1udm n GLY 28 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 5.12 0.57 1.61 0.01 -1.26 -4.95 113.70 114.55 1udm s SER 29 Ca 0.00 -1.34 0.33 0.00 1.31 0.00 0.00 55.95 56.25 1udm s SER 29 Cb 0.00 -1.79 1.14 0.00 0.21 0.00 0.00 66.02 65.58 1udm s SER 29 CO 0.00 -0.34 1.33 0.00 0.41 0.00 0.00 173.24 174.65 1udm n ALA 30 N 4.70 1.25 -1.68 1.44 0.00 -1.26 -4.44 120.51 120.51 1udm n ALA 30 Ca -0.11 0.43 -0.45 0.00 0.00 0.00 0.00 53.44 53.31 1udm n ALA 30 Cb 0.43 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1udm n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1udm n VAL 31 N -3.39 0.01 0.00 0.00 0.31 -1.26 -4.22 118.33 109.78 1udm n VAL 31 Ca 0.29 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1udm n VAL 31 Cb 1.64 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1udm n VAL 31 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1udm n ILE 32 N 3.57 0.00 -4.16 2.52 -5.35 -0.98 -4.31 119.36 110.65 1udm n ILE 32 Ca 0.17 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.44 1udm n ILE 32 Cb 0.31 0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 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 -1.79 0.90 -0.14 4.28 1.48 -0.82 -0.35 118.94 122.50 1udm s TRP 33 Ca -0.00 -1.19 -0.29 0.00 -1.06 0.00 0.00 56.10 53.57 1udm s TRP 33 Cb 0.00 -0.51 0.08 0.00 -1.16 0.00 0.00 33.47 31.87 1udm s TRP 33 CO 0.00 -0.46 0.73 0.54 -4.06 0.00 0.00 176.95 173.70 1udm s VAL 34 N -3.97 0.00 0.19 -0.66 0.11 0.32 -2.86 120.40 113.54 1udm s VAL 34 Ca 0.23 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.38 1udm s VAL 34 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1udm s VAL 34 CO 0.01 0.00 -0.17 0.42 -3.33 0.00 0.00 175.10 172.03 1udm s THR 35 N -0.63 2.76 -0.34 5.04 -4.23 0.37 0.12 115.64 118.73 1udm s THR 35 Ca -0.06 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1udm s THR 35 Cb -0.02 -2.35 0.11 0.00 1.34 0.00 0.00 72.50 71.58 1udm s THR 35 CO 0.06 -0.13 0.13 -0.36 -0.54 0.00 0.00 174.62 173.78 1udm s PHE 36 N -1.72 1.88 0.52 3.99 0.08 0.12 0.37 117.98 123.21 1udm s PHE 36 Ca 0.23 -1.97 0.05 0.00 0.12 0.00 0.00 56.93 55.36 1udm s PHE 36 Cb -0.08 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1udm s PHE 36 CO 0.13 -0.86 0.71 -0.98 -0.10 0.00 0.00 175.22 174.12 1udm s ARG 37 N 1.28 2.54 0.03 0.44 1.70 0.48 -2.44 118.95 122.98 1udm s ARG 37 Ca 0.12 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 54.14 1udm s ARG 37 Cb -0.19 -2.61 -0.05 0.00 -0.57 0.00 0.00 34.95 31.52 1udm s ARG 37 CO -0.18 -0.62 0.33 0.71 -1.08 0.00 0.00 175.30 174.46 1udm s TYR 38 N -2.61 3.60 -0.95 5.89 1.51 -1.26 0.45 117.35 123.97 1udm s TYR 38 Ca 0.58 0.70 0.12 0.00 -1.01 0.00 0.00 57.07 57.46 1udm s TYR 38 Cb -0.09 -2.09 0.35 0.00 -0.11 0.00 0.00 41.96 40.02 1udm s TYR 38 CO 0.37 0.58 1.29 -3.47 -1.11 0.00 0.00 175.55 173.21 1udm n ASP 39 N 1.15 3.08 0.00 2.29 -0.08 -0.86 -4.90 116.55 117.23 1udm n ASP 39 Ca -0.11 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.10 1udm n ASP 39 Cb 0.53 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.71 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 0.54 0.50 0.00 0.27 0.00 -1.26 -4.67 105.19 100.57 1udm n GLY 40 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.07 -3.21 4.61 0.00 -1.26 -4.60 120.51 118.11 1udm n ALA 41 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1udm n ALA 41 Cb 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.86 0.03 0.48 0.00 2.01 -1.26 -3.38 115.64 112.66 1udm s THR 42 Ca 0.00 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 1udm s THR 42 Cb 0.00 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.90 1udm s THR 42 CO 0.00 -0.16 1.04 -0.63 -0.69 0.00 0.00 174.62 174.19 1udm s ILE 43 N -0.67 3.75 -0.11 1.82 1.01 -0.47 -2.03 121.20 124.49 1udm s ILE 43 Ca -0.08 1.11 -0.26 0.00 0.00 0.00 0.00 60.65 61.43 1udm s ILE 43 Cb -0.04 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 39.03 1udm s ILE 43 CO 0.02 -0.21 0.62 0.68 0.00 0.00 0.00 174.94 176.05 1udm s VAL 44 N -1.94 0.01 -0.17 2.92 -7.23 0.17 -1.57 120.40 112.59 1udm s VAL 44 Ca 0.67 -0.06 -0.37 0.00 -1.81 0.00 0.00 61.98 60.41 1udm s VAL 44 Cb -0.17 -0.91 -0.13 0.00 0.56 0.00 0.00 36.38 35.72 1udm s VAL 44 CO 0.21 -0.03 1.83 -2.65 -0.31 0.00 0.00 175.10 174.14 1udm n PRO 45 N 1.61 1.74 0.00 4.82 -0.02 -1.26 -0.39 135.00 141.51 1udm n PRO 45 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1udm n PRO 45 Cb 0.56 -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 4.33 0.91 3.96 -1.23 0.00 0.16 -4.72 105.19 108.61 1udm n GLY 46 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 5.75 -0.27 1.61 1.11 -1.25 -4.90 116.67 117.73 1udm s ASP 47 Ca 0.00 0.13 -0.25 0.00 0.18 0.00 0.00 52.55 52.60 1udm s ASP 47 Cb 0.00 -1.33 0.11 0.00 1.07 0.00 0.00 42.92 42.77 1udm s ASP 47 CO 0.00 -0.73 0.96 -1.58 1.18 0.00 0.00 175.17 175.00 1udm s GLN 48 N -4.52 0.58 0.00 8.23 0.74 -1.26 -0.48 119.66 122.96 1udm s GLN 48 Ca 0.50 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.56 1udm s GLN 48 Cb -0.10 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.30 1udm s GLN 48 CO 0.37 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 1udm n GLY 49 N 2.22 -0.48 0.08 2.59 0.00 -1.13 -5.03 105.19 103.44 1udm n GLY 49 Ca -0.13 -0.96 -0.01 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 -0.07 1.99 -2.53 4.61 0.00 -1.26 -1.95 120.51 121.30 1udm n ALA 50 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 1udm n ALA 50 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1udm n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1udm s ASP 51 N -5.43 6.46 0.57 0.00 1.01 -1.26 -4.54 116.67 113.48 1udm s ASP 51 Ca -0.06 0.36 0.27 0.00 0.71 0.00 0.00 52.55 53.83 1udm s ASP 51 Cb 0.09 -2.55 1.53 0.00 1.01 0.00 0.00 42.92 43.00 1udm s ASP 51 CO 0.84 -1.42 2.03 0.22 0.21 0.00 0.00 175.17 177.05 1udm h TYR 52 N 9.80 0.00 0.00 4.23 5.03 -2.00 0.37 116.97 134.40 1udm h TYR 52 Ca -0.25 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.06 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 1.01 0.00 -0.02 1.96 -1.32 0.00 0.00 178.16 179.79 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.69 115.11 113.32 1udm h GLN 53 Ca 0.15 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.22 1udm h GLN 53 Cb 0.75 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1udm h GLN 53 CO -0.00 0.02 -0.64 0.45 -0.95 0.00 0.00 178.83 177.70 1udm h HIS 54 N 0.00 0.00 0.12 2.96 3.86 -0.66 -3.13 115.15 118.31 1udm h HIS 54 Ca -0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1udm h HIS 54 Cb 0.58 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.07 1udm h HIS 54 CO 0.00 0.63 -1.24 0.35 0.86 0.00 0.00 177.93 178.53 1udm h PHE 55 N 0.00 0.98 0.00 2.45 3.57 -1.45 -3.20 116.94 119.29 1udm h PHE 55 Ca -0.01 -0.62 0.00 0.00 3.53 0.00 0.00 57.97 60.87 1udm h PHE 55 Cb 1.49 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1udm h PHE 55 CO 0.00 1.46 0.00 0.82 -2.23 0.00 0.00 178.31 178.36 1udm h ILE 56 N 0.26 0.00 -0.12 1.41 2.04 -1.60 -2.32 117.51 117.19 1udm h ILE 56 Ca -0.18 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1udm h ILE 56 Cb 1.92 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1udm h ILE 56 CO 0.24 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1udm n GLN 57 N -2.54 1.47 -0.05 2.37 1.13 -1.18 -3.67 117.38 114.92 1udm n GLN 57 Ca 0.02 -0.71 -0.05 0.00 -1.94 0.00 0.00 57.00 54.32 1udm n GLN 57 Cb 0.27 -1.34 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 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 -0.05 2.16 -2.63 -1.09 1.13 -0.87 -4.95 117.38 111.08 1udm n GLN 58 Ca 0.14 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.78 1udm n GLN 58 Cb 0.23 -1.25 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 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 3.66 0.51 -2.00 0.00 -4.23 -1.26 -4.95 115.64 107.38 1udm s THR 60 Ca 0.46 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.16 1udm s THR 60 Cb -0.13 -2.47 0.53 0.00 1.34 0.00 0.00 72.50 71.77 1udm s THR 60 CO 0.15 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.33 1udm n ASP 61 N -1.10 0.00 -0.09 3.99 8.00 -1.26 -2.66 116.55 123.43 1udm n ASP 61 Ca -0.02 -1.13 0.10 0.00 0.71 0.00 0.00 54.79 54.45 1udm n ASP 61 Cb 0.65 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.88 1udm n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1udm n ASP 62 N -0.84 2.26 -3.55 -2.24 5.68 -1.26 -3.13 116.55 113.47 1udm n ASP 62 Ca 0.14 -3.05 -0.15 0.00 -0.50 0.00 0.00 54.79 51.23 1udm n ASP 62 Cb 0.06 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.57 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1udm s VAL 63 N -2.77 0.02 -0.11 2.12 0.11 -1.09 -5.02 120.40 113.66 1udm s VAL 63 Ca 0.31 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1udm s VAL 63 Cb 0.27 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1udm s VAL 63 CO 0.03 -0.09 0.25 0.00 -3.33 0.00 0.00 175.10 171.96 1udm s ARG 64 N -2.17 0.20 0.04 1.54 3.03 -1.26 -1.17 118.95 119.16 1udm s ARG 64 Ca -0.07 0.55 -0.28 0.00 2.03 0.00 0.00 55.73 57.97 1udm s ARG 64 Cb -0.01 -0.12 0.09 0.00 -1.03 0.00 0.00 34.95 33.89 1udm s ARG 64 CO 0.01 -0.18 0.89 -0.48 -1.13 0.00 0.00 175.30 174.41 1udm s LEU 65 N 1.38 -0.33 0.54 -1.89 -0.00 -0.35 -4.68 118.68 113.35 1udm s LEU 65 Ca -0.08 -0.10 -0.16 0.00 -0.00 0.00 0.00 54.13 53.79 1udm s LEU 65 Cb -0.11 2.09 -0.07 0.00 -0.00 0.00 0.00 46.19 48.10 1udm s LEU 65 CO -0.09 -0.71 1.00 -0.36 -0.00 0.00 0.00 176.35 176.20 1udm s PHE 66 N -3.19 3.43 -0.23 3.48 0.40 -1.02 -0.48 117.98 120.37 1udm s PHE 66 Ca 0.07 1.45 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 1udm s PHE 66 Cb -0.01 -2.80 0.09 0.00 0.51 0.00 0.00 43.02 40.80 1udm s PHE 66 CO -0.07 -0.50 0.15 0.00 0.70 0.00 0.00 175.22 175.51 1udm s ALA 67 N -2.70 0.26 -0.41 5.36 0.00 0.24 0.12 121.76 124.64 1udm s ALA 67 Ca 0.59 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 1udm s ALA 67 Cb -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1udm s ALA 67 CO 0.35 -1.38 0.60 0.12 0.00 0.00 0.00 175.76 175.45 1udm s PHE 68 N 2.19 3.11 0.09 0.00 2.19 0.33 0.73 117.98 126.62 1udm s PHE 68 Ca 0.06 0.02 0.08 0.00 0.33 0.00 0.00 56.93 57.42 1udm s PHE 68 Cb -0.16 -3.20 -0.04 0.00 -1.31 0.00 0.00 43.02 38.32 1udm s PHE 68 CO -0.21 -0.76 -0.17 0.08 1.83 0.00 0.00 175.22 176.00 1udm s VAL 69 N 2.66 2.88 -0.09 3.12 1.01 -0.94 -0.52 120.40 128.53 1udm s VAL 69 Ca 0.21 -1.36 -0.23 0.00 0.00 0.00 0.00 61.98 60.60 1udm s VAL 69 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1udm s VAL 69 CO 0.17 0.19 0.69 -0.60 0.00 0.00 0.00 175.10 175.54 1udm s ARG 70 N -1.90 4.40 -0.31 2.72 3.52 0.52 -1.83 118.95 126.08 1udm s ARG 70 Ca 0.17 0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 56.59 1udm s ARG 70 Cb -0.11 -3.47 0.10 0.00 -1.56 0.00 0.00 34.95 29.92 1udm s ARG 70 CO 0.09 0.02 0.10 -0.06 -0.81 0.00 0.00 175.30 174.63 1udm s PHE 71 N 0.98 1.63 0.27 5.12 0.08 -1.26 -4.86 117.98 119.94 1udm s PHE 71 Ca 0.36 -1.68 -0.31 0.00 0.12 0.00 0.00 56.93 55.42 1udm s PHE 71 Cb -0.17 -1.66 -0.12 0.00 -0.57 0.00 0.00 43.02 40.49 1udm s PHE 71 CO 0.16 -0.87 1.57 -2.37 -0.10 0.00 0.00 175.22 173.61 1udm n THR 72 N 4.87 0.88 -3.15 0.64 5.66 -1.26 -1.88 114.28 120.04 1udm n THR 72 Ca -0.02 -0.22 0.05 0.00 -3.05 0.00 0.00 64.05 60.81 1udm n THR 72 Cb 0.42 -1.85 -0.01 0.00 -1.55 0.00 0.00 70.33 67.34 1udm n THR 72 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1udm s THR 73 N 0.12 -0.47 0.00 1.09 -1.32 -1.26 -4.88 115.64 108.92 1udm s THR 73 Ca 0.66 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 1udm s THR 73 Cb -0.53 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1udm s THR 73 CO 0.47 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 1udm n GLY 74 N 5.35 3.74 0.00 6.08 0.00 -1.26 -4.35 105.19 114.74 1udm n GLY 74 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1udm n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1udm n ASP 75 N 0.00 0.00 0.00 1.61 8.00 -1.26 -2.86 116.55 122.04 1udm n ASP 75 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1udm n ASP 75 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udm n ALA 76 N -2.19 1.99 0.08 2.24 0.00 -1.26 -4.01 120.51 117.36 1udm n ALA 76 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 76 Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1udm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm h MET 77 N 0.00 0.28 0.00 0.00 -0.00 -1.99 -3.41 114.93 109.81 1udm h MET 77 Ca 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 59.70 59.35 1udm h MET 77 Cb 0.99 0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.68 1udm h MET 77 CO 0.00 1.05 -0.51 0.43 -0.00 0.00 0.00 176.91 177.88 1udm n SER 78 N -3.67 1.38 -1.48 -0.10 7.64 -1.26 -4.96 113.62 111.18 1udm n SER 78 Ca -0.05 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.00 1udm n SER 78 Cb 0.85 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.56 1udm n SER 78 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1udm n LYS 79 N -3.85 -1.56 -3.81 1.43 4.81 -1.14 -4.84 118.16 109.22 1udm n LYS 79 Ca -0.07 0.17 -0.12 0.00 -0.87 0.00 0.00 58.31 57.42 1udm n LYS 79 Cb 0.25 -4.36 -0.12 0.00 0.02 0.00 0.00 35.03 30.82 1udm n LYS 79 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1udm s ARG 80 N -3.03 0.25 0.53 1.64 3.00 -1.26 -4.96 118.95 115.11 1udm s ARG 80 Ca 0.00 0.20 -0.20 0.00 -1.00 0.00 0.00 55.73 54.73 1udm s ARG 80 Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 34.95 34.99 1udm s ARG 80 CO 0.00 -0.03 0.83 0.43 0.00 0.00 0.00 175.30 176.53 1udm n SER 81 N 2.84 0.32 -0.08 -2.12 7.64 -1.26 -4.15 113.62 116.80 1udm n SER 81 Ca -0.13 0.86 -0.09 0.00 1.01 0.00 0.00 58.87 60.52 1udm n SER 81 Cb 0.58 -1.30 -0.12 0.00 -1.01 0.00 0.00 64.21 62.36 1udm n SER 81 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1udm n LYS 82 N -0.29 1.22 -0.45 1.43 4.81 -0.79 -4.89 118.16 119.20 1udm n LYS 82 Ca 0.12 0.02 0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1udm n LYS 82 Cb 0.44 -1.41 -0.02 0.00 0.02 0.00 0.00 35.03 34.07 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1udm n PHE 83 N -2.69 -2.35 -3.65 5.64 3.01 -1.24 -1.00 117.46 115.18 1udm n PHE 83 Ca -0.28 0.56 0.01 0.00 1.01 0.00 0.00 57.45 58.75 1udm n PHE 83 Cb 0.99 -0.90 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.80 -2.58 -0.98 4.37 0.00 -0.76 -3.27 121.76 116.74 1udm s ALA 84 Ca 0.00 1.99 -0.19 0.00 0.00 0.00 0.00 51.96 53.76 1udm s ALA 84 Cb 0.00 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.31 1udm s ALA 84 CO 0.00 -0.30 1.22 -1.17 0.00 0.00 0.00 175.76 175.50 1udm s LEU 85 N 1.01 4.80 -0.56 0.00 2.96 -0.63 -2.22 118.68 124.04 1udm s LEU 85 Ca -0.07 -2.06 -0.28 0.00 -0.22 0.00 0.00 54.13 51.50 1udm s LEU 85 Cb -0.03 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.24 1udm s LEU 85 CO -0.11 -1.10 1.50 -0.63 -1.32 0.00 0.00 176.35 174.70 1udm s ILE 86 N 2.94 3.69 -0.63 6.68 1.01 0.22 0.88 121.20 136.00 1udm s ILE 86 Ca 0.36 0.57 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 1udm s ILE 86 Cb -0.04 -4.33 0.05 0.00 0.01 0.00 0.00 42.46 38.15 1udm s ILE 86 CO -0.08 -1.11 1.06 -0.89 0.00 0.00 0.00 174.94 173.91 1udm s THR 87 N 6.56 4.17 0.20 2.92 2.01 0.59 0.80 115.64 132.88 1udm s THR 87 Ca 0.56 0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.56 1udm s THR 87 Cb -0.12 -4.69 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 1udm s THR 87 CO 0.24 -1.41 0.74 0.86 -0.69 0.00 0.00 174.62 174.36 1udm s TRP 88 N 4.53 3.73 -0.29 4.92 -0.11 0.36 -0.56 118.94 131.52 1udm s TRP 88 Ca 0.31 1.47 0.01 0.00 1.22 0.00 0.00 56.10 59.11 1udm s TRP 88 Cb -0.12 -2.67 0.15 0.00 -1.50 0.00 0.00 33.47 29.33 1udm s TRP 88 CO 0.17 0.40 0.36 0.42 -4.62 0.00 0.00 176.95 173.67 1udm s ILE 89 N -1.39 -0.53 0.06 5.86 1.01 -0.69 -1.21 121.20 124.31 1udm s ILE 89 Ca 0.40 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 1udm s ILE 89 Cb -0.19 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.16 1udm s ILE 89 CO 0.22 -0.37 0.59 0.61 0.00 0.00 0.00 174.94 175.99 1udm n GLY 90 N 5.32 -0.67 0.00 6.18 0.00 -0.31 -4.46 105.19 111.25 1udm n GLY 90 Ca -0.00 0.41 0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 0.92 0.81 -0.03 1.61 4.07 -1.25 -2.83 120.64 123.95 1udm n GLU 91 Ca 0.14 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.21 1udm n GLU 91 Cb 0.11 -1.17 -0.05 0.00 -0.06 0.00 0.00 31.44 30.27 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1udm n ASP 92 N -0.67 3.47 -4.46 4.31 2.03 -1.18 -5.04 116.55 114.99 1udm n ASP 92 Ca 0.07 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.01 1udm n ASP 92 Cb 0.03 0.71 0.05 0.00 -0.72 0.00 0.00 41.12 41.19 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 -2.19 2.04 -2.20 5.18 0.24 -1.13 -4.90 118.33 115.37 1udm n VAL 93 Ca -0.09 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.34 61.36 1udm n VAL 93 Cb 0.66 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.30 6.64 0.14 -1.34 0.15 -1.26 -4.88 113.70 111.84 1udm s SER 94 Ca 0.67 2.52 -0.25 0.00 0.70 0.00 0.00 55.95 59.58 1udm s SER 94 Cb -0.40 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.23 1udm s SER 94 CO 0.56 -0.61 1.28 0.61 1.20 0.00 0.00 173.24 176.28 1udm n GLY 95 N 0.76 -2.14 0.25 9.45 0.00 -1.26 -0.87 105.19 111.39 1udm n GLY 95 Ca 0.02 0.98 -0.07 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 -5.04 -0.63 -0.29 0.99 -0.00 -1.26 0.16 117.00 110.92 1udm n LEU 96 Ca 0.02 1.16 0.10 0.00 -0.00 0.00 0.00 56.01 57.30 1udm n LEU 96 Cb 0.22 -0.19 0.24 0.00 -0.00 0.00 0.00 43.42 43.70 1udm n LEU 96 CO -0.13 -0.92 0.89 1.56 -0.00 0.00 0.00 177.39 178.80 1udm h GLN 97 N 0.00 0.16 -0.09 1.96 4.20 -1.37 0.70 115.11 120.68 1udm h GLN 97 Ca 0.10 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1udm h GLN 97 Cb 0.25 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1udm h GLN 97 CO -0.56 0.10 -0.50 -0.09 -0.67 0.00 0.00 178.83 177.11 1udm h ARG 98 N 0.16 0.22 0.00 1.46 2.43 0.17 0.20 114.38 119.02 1udm h ARG 98 Ca 0.51 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1udm h ARG 98 Cb 0.99 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1udm h ARG 98 CO -0.68 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 178.45 1udm h ALA 99 N 1.31 1.00 0.00 2.80 0.00 0.42 -3.13 119.26 121.66 1udm h ALA 99 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1udm h ALA 99 Cb 0.94 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1udm h ALA 99 CO 0.08 0.00 -2.47 1.63 0.00 0.00 0.00 179.25 178.49 1udm n LYS 100 N -2.52 0.61 -0.34 0.00 4.76 0.98 -3.87 118.16 117.79 1udm n LYS 100 Ca 0.04 0.24 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1udm n LYS 100 Cb 0.38 -1.52 0.30 0.00 -1.84 0.00 0.00 35.03 32.35 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 -0.67 0.71 -0.10 -0.18 2.02 -0.70 0.31 112.91 114.29 1udm h THR 101 Ca -0.65 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.08 1udm h THR 101 Cb 1.70 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1udm h THR 101 CO -0.30 0.13 -0.74 1.23 0.37 0.00 0.00 175.52 176.20 1udm h GLY 102 N 0.73 0.57 1.56 2.16 0.00 -1.76 -3.12 103.07 103.21 1udm h GLY 102 Ca 0.55 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1udm h GLY 102 CO -0.38 0.72 -0.54 -0.84 0.00 0.00 0.00 176.54 175.50 1udm h THR 103 N 0.36 1.33 0.00 4.70 2.02 -1.21 -2.65 112.91 117.45 1udm h THR 103 Ca -0.04 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1udm h THR 103 Cb 1.34 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1udm h THR 103 CO 0.14 0.55 0.00 0.47 0.37 0.00 0.00 175.52 177.05 1udm n ASP 104 N -3.95 0.00 -0.18 4.18 8.00 0.92 -3.43 116.55 122.09 1udm n ASP 104 Ca -0.03 -0.65 0.01 0.00 0.71 0.00 0.00 54.79 54.83 1udm n ASP 104 Cb 0.59 -0.05 0.27 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.92 -0.33 -1.24 3.64 -1.41 -1.34 116.57 116.82 1udm h LYS 105 Ca 0.00 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1udm h LYS 105 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1udm h LYS 105 CO 0.00 0.61 0.37 1.15 -2.27 0.00 0.00 179.45 179.31 1udm h THR 106 N 0.94 0.37 0.09 1.00 2.02 -1.78 0.11 112.91 115.66 1udm h THR 106 Ca 0.26 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.31 1udm h THR 106 Cb -0.11 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1udm h THR 106 CO -0.06 0.00 -0.56 -0.07 0.37 0.00 0.00 175.52 175.20 1udm h LEU 107 N 0.00 0.29 -1.58 2.58 3.38 -1.51 -3.12 115.31 115.35 1udm h LEU 107 Ca 0.15 -0.96 -0.04 0.00 0.09 0.00 0.00 57.88 57.13 1udm h LEU 107 Cb 0.90 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1udm h LEU 107 CO -0.00 1.27 -0.17 0.58 0.09 0.00 0.00 178.44 180.20 1udm h VAL 108 N -0.61 0.59 0.00 1.22 2.07 -1.16 -2.46 116.25 115.90 1udm h VAL 108 Ca -0.10 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 1udm h VAL 108 Cb 1.41 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1udm h VAL 108 CO 0.09 0.17 -0.68 0.50 0.02 0.00 0.00 177.57 177.67 1udm h LYS 109 N 0.00 0.00 -0.74 1.57 3.11 -0.94 -3.21 116.57 116.36 1udm h LYS 109 Ca -0.00 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.99 1udm h LYS 109 Cb 0.51 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.60 1udm h LYS 109 CO 0.02 0.68 -0.19 0.93 -2.81 0.00 0.00 179.45 178.08 1udm h GLU 110 N 0.00 -0.00 -0.05 1.90 4.39 -1.37 -0.87 114.58 118.58 1udm h GLU 110 Ca -0.01 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1udm h GLU 110 Cb 1.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1udm h GLU 110 CO 0.09 -0.00 -0.73 -0.24 -1.16 0.00 0.00 179.01 176.97 1udm h VAL 111 N -0.00 1.34 -3.31 3.13 3.04 -1.72 -3.40 116.25 115.32 1udm h VAL 111 Ca 0.35 -2.04 -0.73 0.00 -1.01 0.00 0.00 66.70 63.28 1udm h VAL 111 Cb 0.54 2.33 -0.30 0.00 -2.01 0.00 0.00 31.29 31.85 1udm h VAL 111 CO -0.76 0.62 -0.38 0.54 -1.01 0.00 0.00 177.57 176.58 1udm s VAL 112 N -3.45 4.22 0.00 1.51 0.11 -0.34 -4.80 120.40 117.64 1udm s VAL 112 Ca -0.12 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.10 1udm s VAL 112 Cb 0.06 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1udm s VAL 112 CO 0.87 -0.79 0.00 0.00 -3.33 0.00 0.00 175.10 171.85 1udm n GLN 113 N 4.85 1.40 0.24 1.54 10.64 -1.14 -4.45 117.38 130.46 1udm n GLN 113 Ca -0.07 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.24 1udm n GLN 113 Cb 0.41 -0.90 0.36 0.00 -0.86 0.00 0.00 30.24 29.25 1udm n GLN 113 CO 0.00 0.00 0.00 -2.95 -1.83 0.00 0.00 177.06 172.28 1udm h ASN 114 N 0.00 0.00 -0.54 2.61 7.08 -1.90 -3.45 115.58 119.37 1udm h ASN 114 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1udm h ASN 114 Cb 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 1udm h ASN 114 CO 0.00 0.00 0.00 2.22 -2.08 0.00 0.00 177.43 177.57 1udm n PHE 115 N -3.06 -1.23 -0.00 4.14 -1.74 -1.26 -4.97 117.46 109.34 1udm n PHE 115 Ca 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.92 1udm n PHE 115 Cb 0.45 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.45 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm h ALA 116 N -1.81 0.00 -2.44 1.98 0.00 -1.05 -3.48 119.26 112.46 1udm h ALA 116 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1udm h ALA 116 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 1udm h ALA 116 CO 0.00 0.01 0.44 0.21 0.00 0.00 0.00 179.25 179.91 1udm s LYS 117 N -1.03 1.11 -0.18 0.00 2.20 -1.26 -5.05 119.74 115.53 1udm s LYS 117 Ca -0.00 -0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 54.83 1udm s LYS 117 Cb 0.00 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1udm s LYS 117 CO 0.01 -0.50 0.78 -1.83 -0.36 0.00 0.00 175.35 173.45 1udm s GLU 118 N -3.32 4.26 -0.53 4.03 4.04 -1.26 -1.61 118.70 124.31 1udm s GLU 118 Ca 0.08 0.91 -0.16 0.00 0.04 0.00 0.00 54.97 55.85 1udm s GLU 118 Cb -0.02 -3.58 0.13 0.00 0.02 0.00 0.00 34.13 30.68 1udm s GLU 118 CO -0.03 -0.33 0.49 -0.06 -1.84 0.00 0.00 175.26 173.49 1udm s PHE 119 N 2.16 3.26 -0.68 4.83 0.40 0.25 -4.86 117.98 123.34 1udm s PHE 119 Ca 0.36 -1.31 -0.26 0.00 -0.60 0.00 0.00 56.93 55.12 1udm s PHE 119 Cb -0.16 -3.75 0.04 0.00 0.51 0.00 0.00 43.02 39.66 1udm s PHE 119 CO 0.11 -1.01 1.16 0.54 0.70 0.00 0.00 175.22 176.72 1udm s VAL 120 N 1.59 3.97 -0.02 -0.44 0.11 -1.26 0.22 120.40 124.56 1udm s VAL 120 Ca 0.03 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 1udm s VAL 120 Cb -0.30 -4.80 -0.03 0.00 -1.53 0.00 0.00 36.38 29.72 1udm s VAL 120 CO 0.03 -1.63 -0.13 -0.63 -3.33 0.00 0.00 175.10 169.41 1udm s ILE 121 N 5.07 3.19 -0.01 7.04 1.01 0.27 -4.93 121.20 132.85 1udm s ILE 121 Ca 0.32 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1udm s ILE 121 Cb -0.11 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1udm s ILE 121 CO 0.15 0.49 0.06 -0.24 0.00 0.00 0.00 174.94 175.40 1udm n SER 122 N 1.95 4.20 -4.32 3.58 2.88 -1.26 -1.70 113.62 118.94 1udm n SER 122 Ca -0.17 -0.03 -0.34 0.00 -1.33 0.00 0.00 58.87 57.01 1udm n SER 122 Cb 0.52 1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 64.95 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1udm s ASP 123 N -2.25 4.02 0.38 -3.46 2.15 -1.26 -3.74 116.67 112.50 1udm s ASP 123 Ca -0.01 -0.38 0.14 0.00 0.43 0.00 0.00 52.55 52.73 1udm s ASP 123 Cb 0.02 -1.64 0.97 0.00 -0.30 0.00 0.00 42.92 41.96 1udm s ASP 123 CO 0.11 0.09 1.82 0.03 -0.17 0.00 0.00 175.17 177.05 1udm h ARG 124 N 7.30 0.52 0.00 4.34 3.08 -1.94 0.34 114.38 128.02 1udm h ARG 124 Ca -0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1udm h ARG 124 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1udm h ARG 124 CO 0.58 0.34 0.24 1.17 -1.07 0.00 0.00 179.97 181.23 1udm n LYS 125 N -4.60 0.10 -0.01 0.04 3.00 -1.26 0.91 118.16 116.35 1udm n LYS 125 Ca 0.21 0.57 0.09 0.00 -0.00 0.00 0.00 58.31 59.18 1udm n LYS 125 Cb 0.67 -2.05 -0.13 0.00 0.00 0.00 0.00 35.03 33.52 1udm n LYS 125 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1udm n GLU 126 N -2.07 0.75 0.09 1.64 1.02 0.12 -4.28 120.64 117.91 1udm n GLU 126 Ca -0.01 -0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1udm n GLU 126 Cb 0.26 -1.40 0.43 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.91 0.45 -4.47 -4.62 7.99 0.26 -4.59 117.00 110.10 1udm n LEU 127 Ca -0.01 0.63 -0.45 0.00 -0.01 0.00 0.00 56.01 56.16 1udm n LEU 127 Cb 0.41 -0.58 -0.08 0.00 -0.11 0.00 0.00 43.42 43.06 1udm n LEU 127 CO 0.37 -0.52 1.95 -0.62 -1.51 0.00 0.00 177.39 177.06 1udm n GLU 128 N -2.01 0.79 -0.55 3.23 1.02 -1.21 -4.74 120.64 117.17 1udm n GLU 128 Ca 0.02 0.14 0.44 0.00 -0.02 0.00 0.00 57.16 57.74 1udm n GLU 128 Cb 0.18 -2.45 0.72 0.00 -0.02 0.00 0.00 31.44 29.86 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 8.44 -0.02 -0.17 3.49 0.28 -1.26 0.13 120.64 131.52 1udm n GLU 129 Ca 0.46 1.19 -0.03 0.00 -0.16 0.00 0.00 57.16 58.62 1udm n GLU 129 Cb 0.25 -2.46 0.07 0.00 1.43 0.00 0.00 31.44 30.73 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 0.32 -0.44 -1.84 5.19 -1.94 -1.43 116.42 116.29 1udm h ASP 130 Ca 0.89 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 57.24 1udm h ASP 130 Cb 3.11 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 42.59 1udm h ASP 130 CO -0.32 0.22 -0.09 0.15 -3.12 0.00 0.00 179.24 176.08 1udm h PHE 131 N 0.47 0.98 -0.31 4.55 3.57 0.80 -3.06 116.94 123.94 1udm h PHE 131 Ca 0.24 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1udm h PHE 131 Cb 0.20 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1udm h PHE 131 CO -0.12 0.93 0.17 0.82 -2.23 0.00 0.00 178.31 177.88 1udm h ILE 132 N 0.81 1.01 0.08 1.41 1.08 -1.11 -3.05 117.51 117.73 1udm h ILE 132 Ca 0.13 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1udm h ILE 132 Cb 0.61 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1udm h ILE 132 CO 0.04 0.06 -0.51 0.03 -0.69 0.00 0.00 178.15 177.08 1udm h ARG 133 N 0.35 -0.69 -1.14 2.37 -0.00 -1.19 -0.73 114.38 113.35 1udm h ARG 133 Ca 0.13 0.05 0.44 0.00 -0.50 0.00 0.00 59.98 60.09 1udm h ARG 133 Cb 0.02 0.16 -0.16 0.00 0.00 0.00 0.00 29.97 29.99 1udm h ARG 133 CO -0.07 -0.46 0.67 0.45 0.00 0.00 0.00 179.97 180.56 1udm n SER 134 N -5.48 0.29 0.31 7.04 2.88 -1.16 -0.30 113.62 117.21 1udm n SER 134 Ca -0.08 1.53 -0.13 0.00 -1.33 0.00 0.00 58.87 58.86 1udm n SER 134 Cb 0.40 -0.75 -0.06 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.80 -0.99 -1.46 4.39 -1.11 -3.13 114.58 111.47 1udm h GLU 135 Ca 0.85 0.05 0.15 0.00 0.34 0.00 0.00 59.36 60.76 1udm h GLU 135 Cb 2.46 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 31.19 1udm h GLU 135 CO -0.64 -0.53 0.61 -0.07 -1.16 0.00 0.00 179.01 177.21 1udm h LEU 136 N -1.12 0.83 -0.95 1.33 3.38 -0.34 0.85 115.31 119.30 1udm h LEU 136 Ca -0.09 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.17 1udm h LEU 136 Cb 0.64 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 1udm h LEU 136 CO 0.14 0.37 0.52 0.11 0.09 0.00 0.00 178.44 179.67 1udm h LYS 137 N 0.86 0.58 -0.11 1.13 1.57 -0.66 -0.67 116.57 119.26 1udm h LYS 137 Ca 0.53 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1udm h LYS 137 Cb 0.69 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1udm h LYS 137 CO -0.33 0.38 0.00 0.36 -0.57 0.00 0.00 179.45 179.29 1udm n LYS 138 N -4.89 2.11 -0.25 3.15 -0.00 -0.19 -4.80 118.16 113.28 1udm n LYS 138 Ca 0.23 -2.55 0.04 0.00 -0.00 0.00 0.00 58.31 56.03 1udm n LYS 138 Cb 0.63 -1.57 0.09 0.00 -0.00 0.00 0.00 35.03 34.18 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 -0.91 0.13 -1.18 0.58 0.00 0.28 -4.48 120.51 114.93 1udm n ALA 139 Ca 0.16 0.75 -0.37 0.00 0.00 0.00 0.00 53.44 53.99 1udm n ALA 139 Cb 0.68 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.42 -2.75 2.44 0.00 0.00 -1.26 -4.72 105.19 97.47 1udm n GLY 140 Ca 0.11 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 2.31 -1.23 3.36 -0.02 0.00 -1.26 -4.97 105.19 103.38 1udm n GLY 141 Ca 0.07 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.70 1.95 -0.06 4.61 0.00 -1.26 -5.12 121.76 121.18 1udm s ALA 142 Ca 0.46 -1.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 1udm s ALA 142 Cb -0.67 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1udm s ALA 142 CO 0.40 -0.38 0.78 -0.80 0.00 0.00 0.00 175.76 175.76 1udm s ASN 143 N -3.37 7.08 0.39 0.00 -0.87 -1.26 -5.01 114.94 111.89 1udm s ASN 143 Ca 0.36 1.30 -0.26 0.00 -1.57 0.00 0.00 52.86 52.69 1udm s ASN 143 Cb 0.08 -2.45 -0.11 0.00 -0.02 0.00 0.00 41.25 38.74 1udm s ASN 143 CO 0.14 -0.17 1.21 -1.22 -2.57 0.00 0.00 177.10 174.48 1udm n TYR 144 N 3.92 1.94 0.23 2.20 4.02 -1.26 -4.94 117.16 123.28 1udm n TYR 144 Ca 0.01 0.54 -0.13 0.00 -0.01 0.00 0.00 57.90 58.32 1udm n TYR 144 Cb 0.51 -2.35 -0.07 0.00 -0.02 0.00 0.00 39.34 37.41 1udm n TYR 144 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1udm h ASP 145 N 2.13 -0.54 -3.39 7.72 1.82 -2.09 -3.45 116.42 118.63 1udm h ASP 145 Ca -0.46 -0.07 -0.29 0.00 -0.39 0.00 0.00 57.03 55.82 1udm h ASP 145 Cb 1.30 0.14 -0.34 0.00 0.68 0.00 0.00 39.33 41.11 1udm h ASP 145 CO 0.60 -0.14 -0.66 0.00 -1.61 0.00 0.00 179.24 177.43 1udm s ALA 146 N -4.61 -0.08 -0.06 -0.78 0.00 -1.26 -5.15 121.76 109.83 1udm s ALA 146 Ca -0.13 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 1udm s ALA 146 Cb 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1udm s ALA 146 CO 0.43 -0.25 0.15 -1.14 0.00 0.00 0.00 175.76 174.95 1udm s GLN 147 N 1.46 0.16 0.19 0.00 0.74 -1.26 -5.17 119.66 115.78 1udm s GLN 147 Ca -0.05 0.25 0.06 0.00 0.05 0.00 0.00 55.36 55.66 1udm s GLN 147 Cb -0.12 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 33.97 1udm s GLN 147 CO -0.05 -0.05 -0.10 -1.12 -0.55 0.00 0.00 175.29 173.42 1udm s SER 148 N 0.32 2.20 0.00 6.67 0.01 -1.26 -5.22 113.70 116.42 1udm s SER 148 Ca -0.02 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1udm s SER 148 Cb -0.03 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1udm s SER 148 CO -0.01 -0.29 0.17 1.21 0.41 0.00 0.00 173.24 174.73