#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 0.42 -1.96 1.61 0.87 -2.09 -3.46 113.55 108.94 1udm h SER 2 Ca 0.00 -0.94 -0.63 0.00 -1.23 0.00 0.00 61.79 58.98 1udm h SER 2 Cb 0.00 -0.14 0.05 0.00 -0.44 0.00 0.00 62.40 61.88 1udm h SER 2 CO 0.00 1.39 0.63 -0.62 -0.53 0.00 0.00 176.83 177.70 1udm n GLU 3 N -4.14 1.62 -3.25 2.24 4.71 -1.26 -4.94 120.64 115.63 1udm n GLU 3 Ca -0.15 0.59 -0.37 0.00 -0.01 0.00 0.00 57.16 57.21 1udm n GLU 3 Cb 0.81 -2.29 -0.06 0.00 -1.01 0.00 0.00 31.44 28.89 1udm n GLU 3 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1udm s GLY 4 N 0.77 2.61 -0.21 0.62 0.00 -1.26 -5.07 107.32 104.78 1udm s GLY 4 Ca 0.82 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 45.48 1udm s GLY 4 CO 0.43 0.40 0.46 0.00 0.00 0.00 0.00 173.10 174.39 1udm s ALA 5 N -1.31 -1.28 0.73 3.20 0.00 -1.26 -5.15 121.76 116.70 1udm s ALA 5 Ca 0.35 1.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.83 1udm s ALA 5 Cb -0.18 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1udm s ALA 5 CO 0.20 -0.59 0.50 0.00 0.00 0.00 0.00 175.76 175.87 1udm n ALA 6 N 4.95 -1.64 -3.67 0.00 0.00 -1.26 -5.01 120.51 113.87 1udm n ALA 6 Ca -0.14 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1udm n ALA 6 Cb 0.52 -1.83 -0.18 0.00 0.00 0.00 0.00 19.45 17.96 1udm n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 7 N -1.94 -0.07 1.24 0.00 2.01 -1.26 -5.15 115.64 110.47 1udm s THR 7 Ca 0.65 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.83 1udm s THR 7 Cb -0.34 -0.24 0.31 0.00 0.01 0.00 0.00 72.50 72.25 1udm s THR 7 CO 0.59 0.13 1.00 0.00 -0.69 0.00 0.00 174.62 175.65 1udm s MET 8 N 2.15 -1.50 1.51 4.92 0.23 -1.26 -4.75 119.30 120.60 1udm s MET 8 Ca 0.05 0.70 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 1udm s MET 8 Cb -0.13 -1.50 0.00 0.00 -1.53 0.00 0.00 34.83 31.68 1udm s MET 8 CO -0.04 -4.08 0.00 0.00 -2.03 0.00 0.00 175.02 168.88 1udm n ALA 9 N -5.15 -0.00 -3.57 3.16 0.00 -1.26 -5.00 120.51 108.69 1udm n ALA 9 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 9 Cb 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.00 0.00 0.34 0.00 2.01 -1.26 -4.89 115.64 111.84 1udm s THR 10 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1udm s THR 10 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1udm s THR 10 CO 0.00 0.00 0.21 0.29 -0.69 0.00 0.00 174.62 174.43 1udm n LYS 11 N 1.47 0.47 -3.80 4.92 5.02 -0.63 -4.99 118.16 120.61 1udm n LYS 11 Ca -0.16 -3.18 -0.13 0.00 -2.02 0.00 0.00 58.31 52.83 1udm n LYS 11 Cb 0.57 2.25 -0.12 0.00 -0.02 0.00 0.00 35.03 37.70 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 -3.16 -0.01 -0.06 -0.18 2.07 -1.26 -1.02 121.20 117.58 1udm s ILE 12 Ca 0.30 0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.52 1udm s ILE 12 Cb 0.01 -0.28 -0.17 0.00 0.13 0.00 0.00 42.46 42.15 1udm s ILE 12 CO 0.21 0.01 3.20 0.47 -1.91 0.00 0.00 174.94 176.92 1udm n ASP 13 N 3.13 5.44 -0.10 4.50 9.92 0.21 -4.72 116.55 134.93 1udm n ASP 13 Ca -0.14 -2.57 0.03 0.00 -0.53 0.00 0.00 54.79 51.57 1udm n ASP 13 Cb 0.58 -1.34 0.05 0.00 -0.64 0.00 0.00 41.12 39.78 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 2.07 -0.02 0.05 -1.24 5.02 -1.26 0.27 118.16 123.05 1udm n LYS 14 Ca 0.36 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.96 1udm n LYS 14 Cb 0.79 -0.65 -0.05 0.00 -0.02 0.00 0.00 35.03 35.11 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 -0.40 -0.09 1.97 4.11 -1.99 0.34 114.58 118.53 1udm h GLU 15 Ca 0.15 0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.44 1udm h GLU 15 Cb 0.25 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1udm h GLU 15 CO -0.28 -0.27 -0.64 0.00 0.07 0.00 0.00 179.01 177.90 1udm h ALA 16 N 0.39 0.74 0.85 1.06 0.00 0.35 -3.19 119.26 119.46 1udm h ALA 16 Ca 0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1udm h ALA 16 Cb 0.51 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1udm h ALA 16 CO -0.26 0.74 -0.41 0.00 0.00 0.00 0.00 179.25 179.32 1udm h ARG 18 N -1.25 0.25 -0.03 0.00 2.43 -0.43 0.24 114.38 115.59 1udm h ARG 18 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1udm h ARG 18 Cb 0.87 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1udm h ARG 18 CO 0.19 0.16 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 1udm h ALA 19 N 1.82 0.03 -0.72 2.80 0.00 -1.51 -0.31 119.26 121.37 1udm h ALA 19 Ca 0.64 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.49 1udm h ALA 19 Cb 1.38 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1udm h ALA 19 CO -0.64 -0.48 0.19 0.00 0.00 0.00 0.00 179.25 178.31 1udm h ALA 20 N 1.02 0.95 0.00 0.00 0.00 -0.17 -0.40 119.26 120.66 1udm h ALA 20 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1udm h ALA 20 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1udm h ALA 20 CO -0.02 0.66 -0.08 -0.92 0.00 0.00 0.00 179.25 178.89 1udm h TYR 21 N 1.08 0.00 0.06 0.00 5.03 -0.44 -3.09 116.97 119.62 1udm h TYR 21 Ca 0.23 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.33 1udm h TYR 21 Cb 0.36 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1udm h TYR 21 CO 0.03 0.08 -1.10 -0.91 -1.32 0.00 0.00 178.16 174.94 1udm h ASN 22 N 0.00 0.18 -0.07 -2.11 2.35 -0.42 -2.76 115.58 112.76 1udm h ASN 22 Ca -0.00 -0.77 0.02 0.00 -0.55 0.00 0.00 56.30 55.00 1udm h ASN 22 Cb 0.43 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1udm h ASN 22 CO 0.01 1.46 0.61 -0.07 -1.65 0.00 0.00 177.43 177.80 1udm h LEU 23 N -0.66 0.00 0.00 1.61 -0.00 -1.00 0.69 115.31 115.94 1udm h LEU 23 Ca -0.26 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.40 1udm h LEU 23 Cb 1.47 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.09 1udm h LEU 23 CO -0.04 0.00 -1.99 0.55 -0.00 0.00 0.00 178.44 176.96 1udm n VAL 24 N -2.81 0.81 0.15 1.22 3.14 -1.22 -4.15 118.33 115.47 1udm n VAL 24 Ca 0.00 -0.59 0.03 0.00 -2.96 0.00 0.00 64.34 60.82 1udm n VAL 24 Cb 0.66 -0.42 0.11 0.00 -1.06 0.00 0.00 33.84 33.14 1udm n VAL 24 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1udm h ARG 25 N 0.00 0.00 -7.56 1.45 0.11 0.46 -3.45 114.38 105.39 1udm h ARG 25 Ca -0.32 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.31 1udm h ARG 25 Cb 1.67 0.00 0.14 0.00 1.11 0.00 0.00 29.97 32.89 1udm h ARG 25 CO 0.02 0.49 0.32 0.34 0.10 0.00 0.00 179.97 181.24 1udm s ASP 26 N -6.46 3.30 -0.01 0.08 2.15 0.12 -5.01 116.67 110.84 1udm s ASP 26 Ca 0.03 0.78 0.12 0.00 0.43 0.00 0.00 52.55 53.91 1udm s ASP 26 Cb 0.09 -1.22 -0.17 0.00 -0.30 0.00 0.00 42.92 41.32 1udm s ASP 26 CO 0.73 -2.66 0.38 0.47 -0.17 0.00 0.00 175.17 173.92 1udm n ASP 27 N -3.81 1.43 -0.50 -0.34 8.00 -1.26 -4.41 116.55 115.65 1udm n ASP 27 Ca 0.09 -0.35 0.14 0.00 0.71 0.00 0.00 54.79 55.38 1udm n ASP 27 Cb 0.60 1.32 0.50 0.00 -0.02 0.00 0.00 41.12 43.52 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1udm n GLY 28 N 1.56 0.05 3.20 0.44 0.00 -1.26 -4.73 105.19 104.46 1udm n GLY 28 Ca -0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.98 5.32 0.65 1.61 0.01 -1.26 -4.94 113.70 113.11 1udm s SER 29 Ca 0.37 -1.58 0.10 0.00 1.31 0.00 0.00 55.95 56.15 1udm s SER 29 Cb 0.21 -1.86 0.49 0.00 0.21 0.00 0.00 66.02 65.06 1udm s SER 29 CO 0.33 -0.46 1.25 0.00 0.41 0.00 0.00 173.24 174.78 1udm h ALA 30 N 8.18 1.99 -2.43 1.44 0.00 -1.84 -3.41 119.26 123.19 1udm h ALA 30 Ca -0.19 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 1udm h ALA 30 Cb 1.07 0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.93 1udm h ALA 30 CO 0.67 -0.95 0.87 0.28 0.00 0.00 0.00 179.25 180.13 1udm n VAL 31 N -2.71 0.07 0.00 0.00 0.31 -1.26 -4.25 118.33 110.49 1udm n VAL 31 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1udm n VAL 31 Cb 0.93 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 3.53 0.00 -4.06 2.52 -5.35 -0.98 -4.32 119.36 110.70 1udm n ILE 32 Ca 0.16 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 1udm n ILE 32 Cb 0.31 0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 38.90 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 -1.46 0.60 -0.27 4.28 1.48 -0.88 -0.49 118.94 122.20 1udm s TRP 33 Ca 0.00 -1.01 -0.25 0.00 -1.06 0.00 0.00 56.10 53.78 1udm s TRP 33 Cb 0.00 -0.31 0.08 0.00 -1.16 0.00 0.00 33.47 32.08 1udm s TRP 33 CO 0.00 -0.55 0.79 0.54 -4.06 0.00 0.00 176.95 173.68 1udm s VAL 34 N -3.98 0.00 0.18 -0.66 0.11 -0.42 -2.91 120.40 112.71 1udm s VAL 34 Ca 0.17 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.29 1udm s VAL 34 Cb 0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1udm s VAL 34 CO -0.02 0.00 0.04 0.42 -3.33 0.00 0.00 175.10 172.21 1udm s THR 35 N 0.34 3.93 -0.33 5.04 -4.23 -0.26 0.59 115.64 120.73 1udm s THR 35 Ca 0.01 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1udm s THR 35 Cb -0.05 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.91 1udm s THR 35 CO -0.01 -0.12 0.14 -0.36 -0.54 0.00 0.00 174.62 173.73 1udm s PHE 36 N -1.76 1.43 0.52 3.99 0.08 0.16 -0.15 117.98 122.25 1udm s PHE 36 Ca 0.29 -1.70 0.09 0.00 0.12 0.00 0.00 56.93 55.72 1udm s PHE 36 Cb -0.09 -1.53 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 1udm s PHE 36 CO 0.20 -0.85 0.72 -0.98 -0.10 0.00 0.00 175.22 174.21 1udm s ARG 37 N 1.43 2.48 0.00 0.44 1.70 -0.31 -2.30 118.95 122.39 1udm s ARG 37 Ca 0.12 -1.51 -0.02 0.00 -0.47 0.00 0.00 55.73 53.85 1udm s ARG 37 Cb -0.19 -2.68 -0.04 0.00 -0.57 0.00 0.00 34.95 31.47 1udm s ARG 37 CO -0.20 -0.67 0.18 0.71 -1.08 0.00 0.00 175.30 174.24 1udm s TYR 38 N -2.56 3.52 -0.10 5.89 1.51 -1.26 0.20 117.35 124.55 1udm s TYR 38 Ca 0.60 0.33 0.14 0.00 -1.01 0.00 0.00 57.07 57.12 1udm s TYR 38 Cb -0.07 -1.81 0.22 0.00 -0.11 0.00 0.00 41.96 40.19 1udm s TYR 38 CO 0.37 0.63 1.11 -3.47 -1.11 0.00 0.00 175.55 173.08 1udm n ASP 39 N 0.85 2.16 0.00 2.29 -0.08 -0.97 -4.93 116.55 115.86 1udm n ASP 39 Ca -0.10 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.37 1udm n ASP 39 Cb 0.52 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 -1.18 0.34 2.24 0.27 0.00 -1.26 -4.84 105.19 100.77 1udm n GLY 40 Ca 0.12 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.26 -3.36 4.61 0.00 -1.26 -4.94 120.51 115.31 1udm n ALA 41 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1udm n ALA 41 Cb 0.00 -1.33 -0.05 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 -2.48 -0.81 0.35 0.00 2.01 -1.26 -1.61 115.64 111.85 1udm s THR 42 Ca 0.00 -0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 1udm s THR 42 Cb 0.00 -0.88 -0.11 0.00 0.01 0.00 0.00 72.50 71.52 1udm s THR 42 CO 0.00 -0.03 1.41 -0.63 -0.69 0.00 0.00 174.62 174.68 1udm s ILE 43 N 2.72 2.33 -0.16 1.82 1.01 -0.19 -2.29 121.20 126.44 1udm s ILE 43 Ca 0.12 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 1udm s ILE 43 Cb -0.14 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.17 1udm s ILE 43 CO -0.18 0.08 0.54 0.68 0.00 0.00 0.00 174.94 176.06 1udm s VAL 44 N -1.10 0.01 -0.43 2.92 -7.23 0.13 -0.62 120.40 114.09 1udm s VAL 44 Ca 0.51 -0.06 -0.33 0.00 -1.81 0.00 0.00 61.98 60.30 1udm s VAL 44 Cb -0.44 -0.79 -0.11 0.00 0.56 0.00 0.00 36.38 35.61 1udm s VAL 44 CO 0.58 -0.03 2.28 -2.65 -0.31 0.00 0.00 175.10 174.98 1udm n PRO 45 N 2.32 1.04 0.00 4.82 -0.02 -1.26 -1.16 135.00 140.73 1udm n PRO 45 Ca -0.15 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1udm n PRO 45 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 6.39 1.31 3.97 -1.23 0.00 0.79 -4.83 105.19 111.59 1udm n GLY 46 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.15 5.25 -0.21 1.61 1.11 -1.25 -4.91 116.67 117.13 1udm s ASP 47 Ca 0.00 0.06 -0.28 0.00 0.18 0.00 0.00 52.55 52.50 1udm s ASP 47 Cb 0.00 -0.93 0.13 0.00 1.07 0.00 0.00 42.92 43.19 1udm s ASP 47 CO 0.00 -1.17 1.06 -1.58 1.18 0.00 0.00 175.17 174.66 1udm s GLN 48 N -4.81 0.50 0.00 8.23 0.74 -1.26 -1.10 119.66 121.96 1udm s GLN 48 Ca 0.57 0.25 0.00 0.00 0.05 0.00 0.00 55.36 56.23 1udm s GLN 48 Cb -0.10 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.24 1udm s GLN 48 CO 0.39 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 1udm n GLY 49 N 1.15 -0.37 0.08 2.59 0.00 -1.15 -5.02 105.19 102.48 1udm n GLY 49 Ca -0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.38 1.81 -2.59 4.61 0.00 -1.26 -2.07 120.51 120.64 1udm n ALA 50 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1udm n ALA 50 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 -5.66 6.49 0.57 0.00 1.11 -1.26 -4.50 116.67 113.41 1udm s ASP 51 Ca -0.05 0.18 0.28 0.00 0.18 0.00 0.00 52.55 53.13 1udm s ASP 51 Cb 0.08 -2.55 1.51 0.00 1.07 0.00 0.00 42.92 43.03 1udm s ASP 51 CO 0.83 -1.43 1.99 0.22 1.18 0.00 0.00 175.17 177.95 1udm h TYR 52 N 9.48 0.00 0.00 4.23 5.03 -1.99 0.35 116.97 134.07 1udm h TYR 52 Ca -0.25 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.04 1udm h TYR 52 Cb 1.06 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 1udm h TYR 52 CO 1.02 0.00 -0.13 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 7.50 -1.99 -2.25 115.11 120.19 1udm h GLN 53 Ca 0.19 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.19 1udm h GLN 53 Cb 0.93 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.43 1udm h GLN 53 CO -0.00 0.13 -0.74 0.45 -1.50 0.00 0.00 178.83 177.16 1udm h HIS 54 N 0.00 0.00 0.01 2.96 3.86 -0.69 -3.01 115.15 118.28 1udm h HIS 54 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1udm h HIS 54 Cb 0.45 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.93 1udm h HIS 54 CO 0.00 0.74 -0.50 0.35 0.86 0.00 0.00 177.93 179.38 1udm h PHE 55 N 0.00 0.49 0.00 2.45 3.57 -1.43 -3.19 116.94 118.83 1udm h PHE 55 Ca -0.01 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1udm h PHE 55 Cb 1.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1udm h PHE 55 CO 0.00 1.09 0.00 0.82 -2.23 0.00 0.00 178.31 177.99 1udm h ILE 56 N -0.25 0.00 -0.01 1.41 2.04 -1.55 -0.97 117.51 118.18 1udm h ILE 56 Ca -0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1udm h ILE 56 Cb 1.24 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1udm h ILE 56 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1udm n GLN 57 N -2.98 1.08 -0.06 2.37 1.13 -1.14 -3.36 117.38 114.42 1udm n GLN 57 Ca -0.01 -0.12 -0.06 0.00 -1.94 0.00 0.00 57.00 54.87 1udm n GLN 57 Cb 0.18 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 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 -0.82 1.91 -2.48 -1.09 1.13 -0.37 -4.94 117.38 110.72 1udm n GLN 58 Ca 0.22 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.84 1udm n GLN 58 Cb 0.13 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 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 4.07 0.48 -2.00 0.00 -4.23 -1.26 -4.95 115.64 107.75 1udm s THR 60 Ca 0.53 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.17 1udm s THR 60 Cb -0.16 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.50 1udm s THR 60 CO 0.20 0.00 1.41 -0.90 -0.54 0.00 0.00 174.62 174.79 1udm n ASP 61 N -0.77 0.00 -0.05 3.99 5.68 -1.26 -2.60 116.55 121.54 1udm n ASP 61 Ca -0.00 -1.30 0.07 0.00 -0.50 0.00 0.00 54.79 53.06 1udm n ASP 61 Cb 0.65 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.73 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1udm n ASP 62 N -0.74 2.25 -3.61 -1.12 2.03 -1.26 -3.25 116.55 110.85 1udm n ASP 62 Ca 0.10 -2.77 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 1udm n ASP 62 Cb 0.05 -0.31 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1udm s VAL 63 N -2.34 0.04 -0.19 5.18 0.11 -1.07 -5.02 120.40 117.11 1udm s VAL 63 Ca 0.23 -0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 58.71 1udm s VAL 63 Cb 0.20 -1.23 0.08 0.00 -1.53 0.00 0.00 36.38 33.90 1udm s VAL 63 CO 0.02 -0.19 0.44 0.00 -3.33 0.00 0.00 175.10 172.04 1udm s ARG 64 N -3.81 0.38 0.27 1.54 3.03 -1.26 -0.73 118.95 118.37 1udm s ARG 64 Ca 0.04 0.95 -0.21 0.00 2.03 0.00 0.00 55.73 58.54 1udm s ARG 64 Cb 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 34.95 34.13 1udm s ARG 64 CO -0.10 -0.20 0.74 -0.48 -1.13 0.00 0.00 175.30 174.12 1udm s LEU 65 N 2.04 -0.26 0.36 -1.89 -0.00 -0.65 -4.72 118.68 113.55 1udm s LEU 65 Ca -0.06 -0.58 -0.09 0.00 -0.00 0.00 0.00 54.13 53.40 1udm s LEU 65 Cb -0.10 2.68 -0.06 0.00 -0.00 0.00 0.00 46.19 48.71 1udm s LEU 65 CO -0.13 -1.31 0.69 -0.36 -0.00 0.00 0.00 176.35 175.24 1udm s PHE 66 N -3.87 3.47 -0.18 3.48 0.40 -0.97 0.16 117.98 120.46 1udm s PHE 66 Ca 0.11 0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 57.31 1udm s PHE 66 Cb -0.06 -2.33 0.07 0.00 0.51 0.00 0.00 43.02 41.22 1udm s PHE 66 CO 0.06 -0.00 0.14 0.00 0.70 0.00 0.00 175.22 176.12 1udm s ALA 67 N -2.25 0.17 -0.43 5.36 0.00 0.56 0.36 121.76 125.52 1udm s ALA 67 Ca 0.49 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1udm s ALA 67 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.89 1udm s ALA 67 CO 0.30 -1.19 0.54 0.12 0.00 0.00 0.00 175.76 175.53 1udm s PHE 68 N 2.21 3.12 -0.05 0.00 2.19 0.20 0.12 117.98 125.77 1udm s PHE 68 Ca 0.04 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 57.11 1udm s PHE 68 Cb -0.16 -3.13 -0.03 0.00 -1.31 0.00 0.00 43.02 38.40 1udm s PHE 68 CO -0.11 -0.79 -0.12 0.08 1.83 0.00 0.00 175.22 176.11 1udm s VAL 69 N 2.48 3.25 -0.18 3.12 1.01 -1.10 -1.31 120.40 127.68 1udm s VAL 69 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 1udm s VAL 69 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1udm s VAL 69 CO 0.16 0.58 0.61 -0.60 0.00 0.00 0.00 175.10 175.85 1udm s ARG 70 N -0.81 4.23 -0.29 2.72 3.52 0.35 -2.42 118.95 126.26 1udm s ARG 70 Ca 0.12 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.35 1udm s ARG 70 Cb -0.11 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.81 1udm s ARG 70 CO 0.01 -0.18 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.25 1udm s PHE 71 N 1.73 3.12 -0.45 5.12 0.40 -1.26 -4.92 117.98 121.72 1udm s PHE 71 Ca 0.29 -2.43 0.12 0.00 -0.60 0.00 0.00 56.93 54.31 1udm s PHE 71 Cb -0.16 -2.25 0.65 0.00 0.51 0.00 0.00 43.02 41.77 1udm s PHE 71 CO 0.11 -0.89 1.33 0.25 0.70 0.00 0.00 175.22 176.72 1udm n THR 72 N 4.45 1.29 -1.57 0.64 -2.24 -1.26 -3.07 114.28 112.52 1udm n THR 72 Ca -0.05 0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 61.95 1udm n THR 72 Cb 0.42 -1.65 -0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1udm n THR 72 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1udm n THR 73 N -1.91 2.14 -1.45 4.28 5.66 -1.26 -4.42 114.28 117.31 1udm n THR 73 Ca -0.01 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1udm n THR 73 Cb 0.08 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 1udm n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1udm n GLY 74 N 1.32 5.45 3.58 1.09 0.00 -1.26 -4.39 105.19 110.99 1udm n GLY 74 Ca 0.10 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 1udm n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1udm s ASP 75 N 1.00 -0.61 0.56 1.61 -1.08 -1.13 -4.73 116.67 112.29 1udm s ASP 75 Ca 0.00 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 1udm s ASP 75 Cb 0.00 1.41 0.00 0.00 -1.46 0.00 0.00 42.92 42.87 1udm s ASP 75 CO 0.00 -0.14 0.00 0.00 0.52 0.00 0.00 175.17 175.55 1udm n ALA 76 N 4.20 -0.03 -0.30 3.66 0.00 -1.26 -3.75 120.51 123.03 1udm n ALA 76 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1udm n ALA 76 Cb 0.56 -0.01 0.30 0.00 0.00 0.00 0.00 19.45 20.30 1udm n ALA 76 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1udm h MET 77 N 0.00 0.18 -6.41 0.00 2.86 -2.01 -3.38 114.93 106.16 1udm h MET 77 Ca 0.00 -0.01 -0.54 0.00 -2.06 0.00 0.00 59.70 57.09 1udm h MET 77 Cb 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1udm h MET 77 CO 0.00 0.12 0.83 -1.12 1.06 0.00 0.00 176.91 177.80 1udm s SER 78 N -5.06 6.82 -0.28 1.22 0.01 -1.25 -5.00 113.70 110.18 1udm s SER 78 Ca -0.12 2.19 -0.02 0.00 1.31 0.00 0.00 55.95 59.30 1udm s SER 78 Cb 0.26 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 64.02 1udm s SER 78 CO 0.77 -0.72 0.10 -0.75 0.41 0.00 0.00 173.24 173.05 1udm s LYS 79 N 2.18 0.48 0.10 12.44 2.20 -1.26 -2.83 119.74 133.05 1udm s LYS 79 Ca 0.65 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 1udm s LYS 79 Cb -0.33 -1.70 -0.01 0.00 -1.51 0.00 0.00 37.83 34.27 1udm s LYS 79 CO 0.28 -0.93 0.16 0.50 -0.36 0.00 0.00 175.35 175.00 1udm s ARG 80 N 1.86 0.87 0.28 4.03 3.52 -1.26 -5.00 118.95 123.25 1udm s ARG 80 Ca 0.07 -1.09 -0.30 0.00 -0.13 0.00 0.00 55.73 54.29 1udm s ARG 80 Cb -0.17 0.32 -0.10 0.00 -1.56 0.00 0.00 34.95 33.44 1udm s ARG 80 CO -0.26 -0.27 1.43 -1.54 -0.81 0.00 0.00 175.30 173.85 1udm s SER 81 N -2.91 6.63 -0.03 -2.12 1.04 -1.26 -4.47 113.70 110.58 1udm s SER 81 Ca 0.09 2.72 0.02 0.00 0.48 0.00 0.00 55.95 59.27 1udm s SER 81 Cb 0.05 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1udm s SER 81 CO -0.08 -0.70 0.00 0.29 0.98 0.00 0.00 173.24 173.74 1udm n LYS 82 N 1.87 3.12 -0.12 4.02 4.01 -1.18 -5.01 118.16 124.88 1udm n LYS 82 Ca 0.05 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.87 1udm n LYS 82 Cb 0.40 -1.07 -0.00 0.00 -0.51 0.00 0.00 35.03 33.85 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1udm n PHE 83 N -2.16 -1.90 -3.45 2.13 3.01 -1.26 -0.44 117.46 113.39 1udm n PHE 83 Ca -0.05 0.15 0.03 0.00 1.01 0.00 0.00 57.45 58.60 1udm n PHE 83 Cb 0.59 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.91 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 -1.75 -2.95 -1.13 4.37 0.00 -1.01 -3.59 121.76 115.69 1udm s ALA 84 Ca 0.00 1.89 -0.20 0.00 0.00 0.00 0.00 51.96 53.65 1udm s ALA 84 Cb 0.00 -2.13 0.07 0.00 0.00 0.00 0.00 23.12 21.06 1udm s ALA 84 CO 0.00 -0.60 1.53 -1.17 0.00 0.00 0.00 175.76 175.52 1udm s LEU 85 N 1.47 3.85 -0.47 0.00 2.96 -0.82 -2.70 118.68 122.97 1udm s LEU 85 Ca -0.04 -1.97 -0.28 0.00 -0.22 0.00 0.00 54.13 51.62 1udm s LEU 85 Cb -0.01 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1udm s LEU 85 CO -0.12 -1.30 1.77 -0.63 -1.32 0.00 0.00 176.35 174.75 1udm s ILE 86 N 4.29 3.48 -0.64 6.68 1.01 0.33 0.21 121.20 136.57 1udm s ILE 86 Ca 0.48 0.41 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 1udm s ILE 86 Cb 0.01 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1udm s ILE 86 CO -0.03 -0.69 0.86 -0.89 0.00 0.00 0.00 174.94 174.19 1udm s THR 87 N 7.70 4.53 0.31 2.92 2.01 0.31 0.21 115.64 133.63 1udm s THR 87 Ca 0.71 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1udm s THR 87 Cb -0.17 -4.61 -0.10 0.00 0.01 0.00 0.00 72.50 67.64 1udm s THR 87 CO 0.27 -1.33 0.89 0.86 -0.69 0.00 0.00 174.62 174.63 1udm s TRP 88 N 3.48 3.65 -0.28 4.92 -0.11 0.12 -0.50 118.94 130.22 1udm s TRP 88 Ca 0.18 1.67 0.01 0.00 1.22 0.00 0.00 56.10 59.18 1udm s TRP 88 Cb -0.20 -2.84 0.15 0.00 -1.50 0.00 0.00 33.47 29.08 1udm s TRP 88 CO 0.08 0.21 0.39 0.42 -4.62 0.00 0.00 176.95 173.43 1udm s ILE 89 N -1.65 -0.60 0.06 5.86 1.01 -0.29 -1.64 121.20 123.94 1udm s ILE 89 Ca 0.50 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 1udm s ILE 89 Cb -0.17 -0.96 -0.15 0.00 0.01 0.00 0.00 42.46 41.19 1udm s ILE 89 CO 0.22 -0.28 0.69 0.61 0.00 0.00 0.00 174.94 176.18 1udm n GLY 90 N 5.35 -0.69 0.02 6.18 0.00 0.09 -4.33 105.19 111.81 1udm n GLY 90 Ca -0.00 0.48 0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 1.05 0.03 -0.01 1.61 4.07 -1.24 -2.73 120.64 123.42 1udm n GLU 91 Ca 0.15 0.15 0.06 0.00 -0.06 0.00 0.00 57.16 57.46 1udm n GLU 91 Cb 0.12 -1.54 -0.14 0.00 -0.06 0.00 0.00 31.44 29.82 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 -1.60 0.19 -4.52 4.31 2.03 -1.20 -4.98 116.55 110.79 1udm n ASP 92 Ca 0.05 0.08 -0.38 0.00 0.52 0.00 0.00 54.79 55.06 1udm n ASP 92 Cb 0.27 1.43 0.04 0.00 -0.72 0.00 0.00 41.12 42.13 1udm n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1udm n VAL 93 N -2.47 2.64 -2.03 5.18 0.31 -1.10 -4.87 118.33 115.98 1udm n VAL 93 Ca -0.10 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.32 1udm n VAL 93 Cb 0.71 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1udm s SER 94 N -1.15 6.68 0.26 4.52 0.15 -1.26 -4.77 113.70 118.12 1udm s SER 94 Ca 0.70 2.58 0.15 0.00 0.70 0.00 0.00 55.95 60.08 1udm s SER 94 Cb -0.45 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.18 1udm s SER 94 CO 0.53 -0.72 1.07 0.61 1.20 0.00 0.00 173.24 175.93 1udm n GLY 95 N 2.85 -0.52 0.26 9.45 0.00 -1.26 -0.14 105.19 115.83 1udm n GLY 95 Ca 0.09 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.59 -1.44 0.99 6.46 -1.97 0.32 115.31 119.09 1udm h LEU 96 Ca 0.58 0.03 0.24 0.00 -0.12 0.00 0.00 57.88 58.61 1udm h LEU 96 Cb 1.58 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.59 1udm h LEU 96 CO -0.50 -0.39 0.65 1.56 -0.62 0.00 0.00 178.44 179.15 1udm h GLN 97 N -0.63 0.38 0.00 1.25 1.08 -0.89 0.68 115.11 116.97 1udm h GLN 97 Ca -0.06 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 1udm h GLN 97 Cb 0.49 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1udm h GLN 97 CO 0.09 0.25 -0.53 -0.09 -0.95 0.00 0.00 178.83 177.60 1udm h ARG 98 N 0.39 0.00 0.00 1.46 1.12 -1.04 -2.43 114.38 113.88 1udm h ARG 98 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.42 1udm h ARG 98 Cb 1.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.36 1udm h ARG 98 CO -0.24 0.53 -0.45 0.00 -3.11 0.00 0.00 179.97 176.71 1udm n ALA 99 N -2.31 3.35 -0.04 2.80 0.00 0.21 -4.04 120.51 120.48 1udm n ALA 99 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1udm n ALA 99 Cb 0.63 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -1.54 0.71 -0.35 0.00 4.76 0.55 -4.09 118.16 118.19 1udm n LYS 100 Ca 0.06 0.29 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1udm n LYS 100 Cb 0.34 -1.67 0.31 0.00 -1.84 0.00 0.00 35.03 32.18 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 -0.13 0.74 -0.06 -0.18 2.02 -1.58 0.16 112.91 113.87 1udm h THR 101 Ca -0.45 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 1udm h THR 101 Cb 1.89 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1udm h THR 101 CO -0.01 0.14 -0.29 1.23 0.37 0.00 0.00 175.52 176.97 1udm h GLY 102 N 0.79 0.12 1.45 2.16 0.00 -1.74 -2.86 103.07 102.99 1udm h GLY 102 Ca 0.56 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 47.58 1udm h GLY 102 CO -0.35 0.08 -0.90 -0.84 0.00 0.00 0.00 176.54 174.53 1udm h THR 103 N 0.10 1.36 0.00 4.70 2.02 -0.89 -3.00 112.91 117.20 1udm h THR 103 Ca 0.01 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1udm h THR 103 Cb 0.56 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1udm h THR 103 CO 0.04 0.70 0.00 0.47 0.37 0.00 0.00 175.52 177.10 1udm n ASP 104 N -3.80 0.00 -0.03 4.18 9.92 -0.58 -3.19 116.55 123.04 1udm n ASP 104 Ca -0.07 -0.60 -0.03 0.00 -0.53 0.00 0.00 54.79 53.55 1udm n ASP 104 Cb 0.81 -0.05 0.20 0.00 -0.64 0.00 0.00 41.12 41.43 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1udm h LYS 105 N 0.00 0.60 -0.25 -1.24 3.11 -1.36 -2.50 116.57 114.93 1udm h LYS 105 Ca 0.00 -0.19 0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1udm h LYS 105 Cb 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 1udm h LYS 105 CO 0.00 0.72 0.35 1.15 -2.81 0.00 0.00 179.45 178.86 1udm h THR 106 N 0.54 0.30 0.01 1.00 2.02 -1.76 -0.40 112.91 114.63 1udm h THR 106 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1udm h THR 106 Cb 0.56 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1udm h THR 106 CO 0.04 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.60 1udm h LEU 107 N 0.00 0.04 -1.55 2.58 3.38 -1.70 -3.22 115.31 114.83 1udm h LEU 107 Ca 0.12 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1udm h LEU 107 Cb 0.82 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1udm h LEU 107 CO -0.00 1.11 0.28 0.58 0.09 0.00 0.00 178.44 180.50 1udm h VAL 108 N -0.94 1.12 -0.52 1.22 2.07 -1.29 -1.86 116.25 116.05 1udm h VAL 108 Ca -0.06 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1udm h VAL 108 Cb 1.10 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1udm h VAL 108 CO -0.02 0.12 0.08 0.50 0.02 0.00 0.00 177.57 178.27 1udm h LYS 109 N 0.60 0.82 -1.39 1.57 3.64 -1.23 -2.52 116.57 118.06 1udm h LYS 109 Ca 0.16 -0.19 0.40 0.00 -1.27 0.00 0.00 60.65 59.76 1udm h LYS 109 Cb -0.05 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 1udm h LYS 109 CO -0.03 0.77 1.09 0.93 -2.27 0.00 0.00 179.45 179.93 1udm h GLU 110 N 0.78 0.00 0.01 1.90 4.39 -1.34 0.36 114.58 120.68 1udm h GLU 110 Ca 0.17 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.50 1udm h GLU 110 Cb 0.35 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1udm h GLU 110 CO 0.01 0.00 -2.32 0.28 -1.16 0.00 0.00 179.01 175.81 1udm n VAL 111 N -3.91 1.48 -3.39 3.13 0.31 -0.98 -4.80 118.33 110.17 1udm n VAL 111 Ca 0.31 -0.73 -0.44 0.00 -0.01 0.00 0.00 64.34 63.47 1udm n VAL 111 Cb 1.52 -0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 33.41 1udm n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1udm s VAL 112 N -2.52 4.88 0.00 2.52 1.01 0.13 -4.77 120.40 121.65 1udm s VAL 112 Ca -0.20 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1udm s VAL 112 Cb 0.07 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1udm s VAL 112 CO 0.74 -0.84 0.00 0.00 0.00 0.00 0.00 175.10 174.99 1udm n GLN 113 N 5.09 2.48 -0.08 2.72 3.00 -1.24 -4.59 117.38 124.76 1udm n GLN 113 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.89 1udm n GLN 113 Cb 0.40 -0.83 0.04 0.00 0.00 0.00 0.00 30.24 29.86 1udm n GLN 113 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1udm n ASN 114 N -1.36 1.12 -1.52 1.08 2.04 -1.26 -4.83 115.26 110.54 1udm n ASN 114 Ca 0.00 -2.07 0.00 0.00 -0.44 0.00 0.00 54.58 52.07 1udm n ASN 114 Cb 0.24 -0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1udm n ASN 114 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1udm n PHE 115 N -0.05 -2.17 -0.00 -2.53 -1.74 -1.26 -4.86 117.46 104.85 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 0.25 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.25 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 -3.00 0.01 -3.54 1.98 0.00 0.42 -4.67 120.51 111.71 1udm n ALA 116 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1udm n ALA 116 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.03 0.80 -0.01 0.00 2.20 -1.26 -4.36 119.74 116.07 1udm s LYS 117 Ca -0.00 -0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 55.00 1udm s LYS 117 Cb 0.00 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1udm s LYS 117 CO 0.01 -0.35 0.91 -1.83 -0.36 0.00 0.00 175.35 173.73 1udm s GLU 118 N -3.05 4.53 -0.46 4.03 -1.05 -1.26 -1.94 118.70 119.49 1udm s GLU 118 Ca 0.06 1.29 -0.09 0.00 -0.15 0.00 0.00 54.97 56.09 1udm s GLU 118 Cb -0.01 -3.46 0.12 0.00 -0.44 0.00 0.00 34.13 30.34 1udm s GLU 118 CO -0.07 -0.02 0.33 -0.06 0.95 0.00 0.00 175.26 176.39 1udm s PHE 119 N 0.94 3.43 -0.73 4.83 0.40 0.13 -4.89 117.98 122.10 1udm s PHE 119 Ca 0.49 -1.89 -0.27 0.00 -0.60 0.00 0.00 56.93 54.65 1udm s PHE 119 Cb -0.20 -3.44 0.03 0.00 0.51 0.00 0.00 43.02 39.91 1udm s PHE 119 CO 0.26 -0.98 1.32 0.08 0.70 0.00 0.00 175.22 176.60 1udm s VAL 120 N 1.35 3.69 -0.06 -0.44 1.01 -1.26 0.12 120.40 124.82 1udm s VAL 120 Ca 0.06 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1udm s VAL 120 Cb -0.26 -4.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.25 1udm s VAL 120 CO -0.01 -1.78 -0.11 -0.63 0.00 0.00 0.00 175.10 172.58 1udm s ILE 121 N 5.99 3.38 -0.02 2.22 1.01 0.34 -4.95 121.20 129.19 1udm s ILE 121 Ca 0.38 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1udm s ILE 121 Cb -0.08 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1udm s ILE 121 CO 0.16 0.59 0.08 -1.20 0.00 0.00 0.00 174.94 174.56 1udm n SER 122 N 2.24 3.87 -4.32 3.58 7.64 -1.26 -1.14 113.62 124.23 1udm n SER 122 Ca -0.17 -0.05 -0.34 0.00 1.01 0.00 0.00 58.87 59.32 1udm n SER 122 Cb 0.53 1.14 -0.14 0.00 -1.01 0.00 0.00 64.21 64.72 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 -2.30 4.00 0.35 6.43 -1.08 -1.26 -3.64 116.67 119.17 1udm s ASP 123 Ca -0.01 -0.39 0.11 0.00 -0.52 0.00 0.00 52.55 51.74 1udm s ASP 123 Cb 0.02 -1.64 0.88 0.00 -1.46 0.00 0.00 42.92 40.73 1udm s ASP 123 CO 0.14 0.08 1.80 0.03 0.52 0.00 0.00 175.17 177.73 1udm h ARG 124 N 7.37 0.60 0.00 4.34 3.08 -1.93 0.30 114.38 128.14 1udm h ARG 124 Ca -0.34 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1udm h ARG 124 Cb 1.18 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1udm h ARG 124 CO 0.58 0.40 0.38 0.87 -1.07 0.00 0.00 179.97 181.13 1udm h LYS 125 N 0.62 0.00 0.00 0.04 1.79 -2.01 1.01 116.57 118.01 1udm h LYS 125 Ca 0.55 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1udm h LYS 125 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1udm h LYS 125 CO -0.32 0.00 -1.89 0.39 -1.08 0.00 0.00 179.45 176.55 1udm n GLU 126 N -2.31 0.59 0.17 3.15 1.02 0.10 -4.26 120.64 119.11 1udm n GLU 126 Ca -0.01 -0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1udm n GLU 126 Cb 0.41 -1.47 0.58 0.00 -0.02 0.00 0.00 31.44 30.94 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 -8.43 -4.62 -0.00 0.11 -3.41 115.31 98.96 1udm h LEU 127 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 1udm h LEU 127 Cb 0.90 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.53 1udm h LEU 127 CO 0.00 0.00 1.52 -0.62 -0.00 0.00 0.00 178.44 179.34 1udm n GLU 128 N -2.37 0.83 -0.46 1.13 1.02 -1.19 -4.75 120.64 114.87 1udm n GLU 128 Ca 0.01 0.17 0.39 0.00 -0.02 0.00 0.00 57.16 57.70 1udm n GLU 128 Cb 0.16 -2.43 0.65 0.00 -0.02 0.00 0.00 31.44 29.80 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 8.37 -0.03 -0.18 3.49 0.28 -1.26 0.13 120.64 131.44 1udm n GLU 129 Ca 0.45 1.19 -0.01 0.00 -0.16 0.00 0.00 57.16 58.63 1udm n GLU 129 Cb 0.24 -2.35 0.09 0.00 1.43 0.00 0.00 31.44 30.85 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 0.18 -0.32 -1.84 5.19 -1.94 -1.37 116.42 116.32 1udm h ASP 130 Ca 0.84 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 57.22 1udm h ASP 130 Cb 2.73 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 42.29 1udm h ASP 130 CO -0.43 0.12 -0.16 0.15 -3.12 0.00 0.00 179.24 175.79 1udm h PHE 131 N 0.37 0.87 -0.44 4.55 3.57 0.84 -3.08 116.94 123.60 1udm h PHE 131 Ca 0.28 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1udm h PHE 131 Cb 0.34 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1udm h PHE 131 CO -0.18 0.88 0.08 0.82 -2.23 0.00 0.00 178.31 177.69 1udm h ILE 132 N 0.69 0.76 -0.16 1.41 1.08 -1.01 -2.70 117.51 117.58 1udm h ILE 132 Ca 0.11 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1udm h ILE 132 Cb 0.66 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 1udm h ILE 132 CO 0.05 0.04 -0.47 0.03 -0.69 0.00 0.00 178.15 177.11 1udm h ARG 133 N 0.21 -0.49 -1.50 2.37 -0.00 -1.33 0.87 114.38 114.51 1udm h ARG 133 Ca 0.22 0.03 0.48 0.00 -0.50 0.00 0.00 59.98 60.21 1udm h ARG 133 Cb 0.28 0.11 -0.12 0.00 0.00 0.00 0.00 29.97 30.24 1udm h ARG 133 CO -0.29 -0.33 1.00 1.03 0.00 0.00 0.00 179.97 181.38 1udm h SER 134 N -0.51 0.16 0.37 7.04 0.87 -1.54 0.62 113.55 120.55 1udm h SER 134 Ca 0.07 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1udm h SER 134 Cb 0.65 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1udm h SER 134 CO -0.43 -0.17 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.19 1udm h GLU 135 N 0.03 -0.47 -1.21 2.24 4.39 -0.81 -3.23 114.58 115.51 1udm h GLU 135 Ca 0.87 0.03 0.35 0.00 0.34 0.00 0.00 59.36 60.95 1udm h GLU 135 Cb 2.96 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 31.63 1udm h GLU 135 CO -0.33 -0.31 0.81 -0.07 -1.16 0.00 0.00 179.01 177.94 1udm h LEU 136 N -0.93 0.26 -1.47 1.33 3.38 -0.50 0.20 115.31 117.57 1udm h LEU 136 Ca -0.05 0.08 0.41 0.00 0.09 0.00 0.00 57.88 58.41 1udm h LEU 136 Cb 0.38 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1udm h LEU 136 CO 0.08 -0.02 0.86 0.50 0.09 0.00 0.00 178.44 179.95 1udm h LYS 137 N 0.19 0.12 0.00 1.13 3.64 -1.21 -0.84 116.57 119.60 1udm h LYS 137 Ca 0.68 -0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 59.66 1udm h LYS 137 Cb 2.13 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.86 1udm h LYS 137 CO -0.25 0.08 -2.47 1.63 -2.27 0.00 0.00 179.45 176.17 1udm n LYS 138 N -4.60 0.65 -0.00 1.90 4.01 0.65 -4.88 118.16 115.87 1udm n LYS 138 Ca 0.35 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 1udm n LYS 138 Cb 1.38 -1.52 -0.00 0.00 -0.51 0.00 0.00 35.03 34.38 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1udm n ALA 139 N -3.25 -0.02 0.00 7.82 0.00 -0.32 -4.90 120.51 119.83 1udm n ALA 139 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1udm n ALA 139 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.02 0.00 2.04 0.00 0.00 -1.26 -5.04 105.19 100.91 1udm n GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1udm n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udm n GLY 141 N 0.00 -0.50 3.48 -0.02 0.00 -1.26 -5.02 105.19 101.87 1udm n GLY 141 Ca 0.00 0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.96 0.89 -0.13 4.61 0.00 -1.26 -4.78 120.51 116.87 1udm n ALA 142 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 1udm n ALA 142 Cb 0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 19.45 16.70 1udm n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1udm n ASN 143 N 11.26 1.96 -4.68 0.00 3.02 -1.26 -4.95 115.26 120.61 1udm n ASN 143 Ca 0.45 0.26 -0.46 0.00 -0.03 0.00 0.00 54.58 54.80 1udm n ASN 143 Cb 0.26 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 1udm n ASN 143 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1udm n TYR 144 N -4.08 2.35 -3.70 3.10 4.02 -1.26 -4.99 117.16 112.60 1udm n TYR 144 Ca -0.52 0.18 -0.22 0.00 -0.01 0.00 0.00 57.90 57.33 1udm n TYR 144 Cb 0.90 -2.59 -0.03 0.00 -0.02 0.00 0.00 39.34 37.60 1udm n TYR 144 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1udm s ASP 145 N 1.58 4.87 -0.22 7.72 2.15 -1.26 -5.11 116.67 126.40 1udm s ASP 145 Ca 0.81 -0.89 -0.11 0.00 0.43 0.00 0.00 52.55 52.79 1udm s ASP 145 Cb -0.65 -0.38 -0.05 0.00 -0.30 0.00 0.00 42.92 41.54 1udm s ASP 145 CO 0.40 -0.72 0.17 0.00 -0.17 0.00 0.00 175.17 174.84 1udm s ALA 146 N -2.55 3.64 0.28 3.66 0.00 -1.26 -5.09 121.76 120.44 1udm s ALA 146 Ca 0.45 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1udm s ALA 146 Cb -0.02 -2.28 -0.06 0.00 0.00 0.00 0.00 23.12 20.77 1udm s ALA 146 CO 0.26 -0.03 -0.07 -0.65 0.00 0.00 0.00 175.76 175.27 1udm s GLN 147 N 0.74 1.55 0.08 0.00 1.11 -1.26 -5.00 119.66 116.88 1udm s GLN 147 Ca 0.09 -1.78 -0.00 0.00 0.01 0.00 0.00 55.36 53.68 1udm s GLN 147 Cb -0.12 -1.20 -0.04 0.00 -1.01 0.00 0.00 33.01 30.63 1udm s GLN 147 CO 0.02 0.07 -0.01 -1.12 0.01 0.00 0.00 175.29 174.25 1udm s SER 148 N -3.44 0.57 0.00 5.90 0.01 -1.26 -5.27 113.70 110.21 1udm s SER 148 Ca 0.29 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1udm s SER 148 Cb 0.03 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1udm s SER 148 CO 0.12 -0.61 0.00 -0.62 0.41 0.00 0.00 173.24 172.54