#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub5 s ILE 2 N 0.00 4.87 -0.06 0.53 1.10 -1.26 -4.97 121.20 121.41 1ub5 s ILE 2 Ca 0.00 -0.07 -0.25 0.00 -0.51 0.00 0.00 60.65 59.83 1ub5 s ILE 2 Cb 0.00 -4.20 -0.03 0.00 0.15 0.00 0.00 42.46 38.37 1ub5 s ILE 2 CO 0.00 -0.62 0.75 -0.69 -2.11 0.00 0.00 174.94 172.27 1ub5 s VAL 3 N 2.70 5.01 -0.23 4.00 1.01 -1.26 -4.73 120.40 126.91 1ub5 s VAL 3 Ca 0.20 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 1ub5 s VAL 3 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1ub5 s VAL 3 CO 0.17 0.23 0.07 -0.04 0.00 0.00 0.00 175.10 175.53 1ub5 s MET 4 N 0.86 3.77 -0.13 2.72 1.00 -1.26 -2.27 119.30 124.00 1ub5 s MET 4 Ca 0.40 -0.43 0.02 0.00 0.00 0.00 0.00 55.69 55.68 1ub5 s MET 4 Cb -0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 34.83 31.35 1ub5 s MET 4 CO 0.20 -0.03 -0.19 0.99 0.00 0.00 0.00 175.02 175.99 1ub5 s THR 5 N 1.19 2.40 0.05 2.05 2.01 0.35 -4.23 115.64 119.47 1ub5 s THR 5 Ca 0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1ub5 s THR 5 Cb -0.14 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1ub5 s THR 5 CO 0.03 0.54 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.35 1ub5 s GLN 6 N 0.60 0.57 0.39 4.92 -0.21 -1.26 -1.32 119.66 123.35 1ub5 s GLN 6 Ca -0.11 -0.99 -0.24 0.00 0.02 0.00 0.00 55.36 54.05 1ub5 s GLN 6 Cb -0.16 -0.04 -0.10 0.00 1.00 0.00 0.00 33.01 33.72 1ub5 s GLN 6 CO 0.03 -0.03 0.99 0.00 -2.12 0.00 0.00 175.29 174.16 1ub5 s ALA 7 N -2.63 3.10 0.42 6.09 0.00 -1.26 -4.75 121.76 122.74 1ub5 s ALA 7 Ca -0.02 0.58 0.13 0.00 0.00 0.00 0.00 51.96 52.65 1ub5 s ALA 7 Cb -0.01 -3.22 0.91 0.00 0.00 0.00 0.00 23.12 20.80 1ub5 s ALA 7 CO -0.04 -0.02 1.95 0.00 0.00 0.00 0.00 175.76 177.65 1ub5 h ALA 8 N 2.54 1.61 -2.41 0.00 0.00 -1.95 -3.35 119.26 115.71 1ub5 h ALA 8 Ca -0.48 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 53.97 1ub5 h ALA 8 Cb 1.20 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1ub5 h ALA 8 CO 0.63 0.29 -0.64 -0.06 0.00 0.00 0.00 179.25 179.47 1ub5 s PHE 9 N -4.61 1.17 0.16 0.00 0.40 -1.26 -1.27 117.98 112.57 1ub5 s PHE 9 Ca -0.04 -1.20 0.04 0.00 -0.60 0.00 0.00 56.93 55.13 1ub5 s PHE 9 Cb 0.15 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1ub5 s PHE 9 CO 0.71 -0.43 -0.09 -1.54 0.70 0.00 0.00 175.22 174.57 1ub5 s SER 10 N -3.16 1.80 0.60 1.36 1.04 -1.22 -4.88 113.70 109.24 1ub5 s SER 10 Ca 0.30 -1.04 -0.18 0.00 0.48 0.00 0.00 55.95 55.51 1ub5 s SER 10 Cb 0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1ub5 s SER 10 CO 0.07 -0.36 1.20 0.20 0.98 0.00 0.00 173.24 175.34 1ub5 s ASN 11 N -3.19 5.13 0.36 7.02 0.01 -1.26 -4.53 114.94 118.47 1ub5 s ASN 11 Ca 0.18 2.37 -0.28 0.00 -0.71 0.00 0.00 52.86 54.42 1ub5 s ASN 11 Cb 0.03 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.98 1ub5 s ASN 11 CO 0.02 -1.63 1.46 -0.81 -1.51 0.00 0.00 177.10 174.63 1ub5 n PRO 12 N -1.69 2.57 -4.78 -0.60 -0.04 -1.26 -4.60 135.00 124.59 1ub5 n PRO 12 Ca 0.13 0.90 -0.33 0.00 -0.04 0.00 0.00 63.50 64.17 1ub5 n PRO 12 Cb 0.50 -2.61 -0.12 0.00 -0.04 0.00 0.00 33.50 31.22 1ub5 n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ub5 s VAL 13 N -0.98 3.22 0.21 0.52 -7.23 0.62 -4.66 120.40 112.09 1ub5 s VAL 13 Ca 0.55 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1ub5 s VAL 13 Cb -0.50 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 1ub5 s VAL 13 CO 0.62 0.55 1.06 -0.89 -0.31 0.00 0.00 175.10 176.14 1ub5 s THR 14 N -0.79 3.83 0.34 5.32 2.01 -1.26 -0.27 115.64 124.81 1ub5 s THR 14 Ca 0.12 1.69 -0.28 0.00 0.31 0.00 0.00 61.69 63.53 1ub5 s THR 14 Cb -0.11 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 68.20 1ub5 s THR 14 CO 0.02 0.34 1.28 0.18 -0.69 0.00 0.00 174.62 175.75 1ub5 n LEU 15 N 1.90 3.47 0.00 4.42 4.77 -1.26 -1.60 117.00 128.70 1ub5 n LEU 15 Ca 0.01 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1ub5 n LEU 15 Cb 0.46 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1ub5 n LEU 15 CO 0.53 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1ub5 n GLY 16 N 0.79 1.68 3.90 -0.72 0.00 -0.27 -4.92 105.19 105.65 1ub5 n GLY 16 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1ub5 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ub5 s THR 17 N -2.65 2.16 0.19 2.61 -4.23 -0.63 -4.18 115.64 108.92 1ub5 s THR 17 Ca 0.00 -1.39 -0.18 0.00 -1.18 0.00 0.00 61.69 58.94 1ub5 s THR 17 Cb 0.00 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 1ub5 s THR 17 CO 0.00 0.00 0.66 -0.44 -0.54 0.00 0.00 174.62 174.30 1ub5 s SER 18 N -4.24 6.98 0.09 3.99 0.01 -1.26 -1.26 113.70 118.01 1ub5 s SER 18 Ca 0.43 1.30 0.08 0.00 1.31 0.00 0.00 55.95 59.07 1ub5 s SER 18 Cb -0.03 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1ub5 s SER 18 CO 0.26 0.07 -0.17 0.00 0.41 0.00 0.00 173.24 173.80 1ub5 s ALA 19 N -1.48 2.67 -0.08 1.44 0.00 0.04 -4.94 121.76 119.41 1ub5 s ALA 19 Ca 0.40 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ub5 s ALA 19 Cb -0.16 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1ub5 s ALA 19 CO 0.20 0.59 -0.11 -1.12 0.00 0.00 0.00 175.76 175.33 1ub5 s SER 20 N -1.89 1.82 -0.17 0.00 0.01 -1.26 -1.18 113.70 111.03 1ub5 s SER 20 Ca 0.17 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1ub5 s SER 20 Cb -0.11 -0.81 0.02 0.00 0.21 0.00 0.00 66.02 65.33 1ub5 s SER 20 CO 0.09 -0.01 -0.20 -0.63 0.41 0.00 0.00 173.24 172.90 1ub5 s ILE 21 N 0.92 2.03 0.38 1.44 1.01 0.58 -4.95 121.20 122.60 1ub5 s ILE 21 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1ub5 s ILE 21 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1ub5 s ILE 21 CO 0.01 0.54 0.59 -0.94 0.00 0.00 0.00 174.94 175.13 1ub5 s SER 22 N 1.16 6.19 -0.19 3.58 1.04 -1.26 0.24 113.70 124.46 1ub5 s SER 22 Ca 0.01 0.44 -0.27 0.00 0.48 0.00 0.00 55.95 56.61 1ub5 s SER 22 Cb -0.14 -1.93 0.08 0.00 0.10 0.00 0.00 66.02 64.14 1ub5 s SER 22 CO -0.10 -0.40 0.78 0.00 0.98 0.00 0.00 173.24 174.50 1ub5 s ARG 24 N -0.30 0.51 0.15 0.00 1.70 -0.43 -0.57 118.95 120.02 1ub5 s ARG 24 Ca -0.03 -0.83 0.10 0.00 -0.47 0.00 0.00 55.73 54.50 1ub5 s ARG 24 Cb -0.03 -0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.18 1ub5 s ARG 24 CO 0.03 -0.00 -0.22 0.45 -1.08 0.00 0.00 175.30 174.48 1ub5 s SER 25 N -1.84 3.62 0.00 -2.89 0.15 -0.30 -0.49 113.70 111.95 1ub5 s SER 25 Ca -0.08 -0.72 0.29 0.00 0.70 0.00 0.00 55.95 56.15 1ub5 s SER 25 Cb -0.07 -0.38 1.24 0.00 -1.71 0.00 0.00 66.02 65.11 1ub5 s SER 25 CO -0.01 0.15 1.92 0.35 1.20 0.00 0.00 173.24 176.85 1ub5 n THR 26 N 0.56 0.00 -3.88 6.45 -2.24 -0.96 -4.80 114.28 109.42 1ub5 n THR 26 Ca -0.15 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1ub5 n THR 26 Cb 0.54 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 68.18 1ub5 n THR 26 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ub5 s LYS 27 N -2.96 0.22 0.35 -0.78 2.20 -1.26 -4.99 119.74 112.52 1ub5 s LYS 27 Ca 0.15 -0.14 -0.28 0.00 -0.36 0.00 0.00 55.97 55.34 1ub5 s LYS 27 Cb 0.19 0.09 -0.12 0.00 -1.51 0.00 0.00 37.83 36.49 1ub5 s LYS 27 CO 0.53 -0.04 1.45 0.45 -0.36 0.00 0.00 175.35 177.37 1ub5 n SER 28 N 2.41 3.47 -1.00 1.43 2.88 -1.26 -4.70 113.62 116.85 1ub5 n SER 28 Ca -0.17 1.21 0.12 0.00 -1.33 0.00 0.00 58.87 58.70 1ub5 n SER 28 Cb 0.58 -1.57 0.23 0.00 -0.75 0.00 0.00 64.21 62.69 1ub5 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ub5 n LEU 29 N 0.87 3.03 -4.64 2.46 4.32 0.81 -4.89 117.00 118.97 1ub5 n LEU 29 Ca 0.04 -1.23 -0.43 0.00 -0.02 0.00 0.00 56.01 54.37 1ub5 n LEU 29 Cb 0.37 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 41.99 1ub5 n LEU 29 CO 0.63 0.62 1.09 -0.22 -1.22 0.00 0.00 177.39 178.29 1ub5 s LEU 30 N -1.63 3.93 0.54 2.23 2.96 -1.26 -0.87 118.68 124.58 1ub5 s LEU 30 Ca 0.36 1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 55.46 1ub5 s LEU 30 Cb 0.21 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 1ub5 s LEU 30 CO 0.31 -1.00 0.85 -2.28 -1.32 0.00 0.00 176.35 172.91 1ub5 s HIS 31 N 4.11 3.38 0.57 5.38 5.65 0.11 -4.97 115.29 129.53 1ub5 s HIS 31 Ca 0.54 0.70 0.26 0.00 0.25 0.00 0.00 55.06 56.81 1ub5 s HIS 31 Cb -0.17 -2.54 1.64 0.00 -1.18 0.00 0.00 32.58 30.34 1ub5 s HIS 31 CO 0.20 -0.58 2.20 1.03 -0.65 0.00 0.00 174.74 176.94 1ub5 h SER 32 N 0.01 0.00 0.00 9.88 0.87 -1.95 -1.35 113.55 121.01 1ub5 h SER 32 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ub5 h SER 32 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1ub5 h SER 32 CO 0.61 0.00 0.00 -0.46 -0.53 0.00 0.00 176.83 176.45 1ub5 n ASN 33 N -4.04 0.00 0.00 6.23 0.23 -1.26 -4.87 115.26 111.55 1ub5 n ASN 33 Ca -0.02 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 1ub5 n ASN 33 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1ub5 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ub5 n GLY 34 N 0.87 0.97 3.86 4.83 0.00 -0.51 -5.05 105.19 110.17 1ub5 n GLY 34 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ub5 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub5 s ILE 35 N -2.63 5.27 -0.33 -0.61 1.01 -1.26 -4.84 121.20 117.80 1ub5 s ILE 35 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 1ub5 s ILE 35 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ub5 s ILE 35 CO 0.00 0.55 0.17 -0.89 0.00 0.00 0.00 174.94 174.77 1ub5 s THR 36 N -1.11 4.60 -1.43 2.92 2.01 -1.26 0.08 115.64 121.45 1ub5 s THR 36 Ca 0.21 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1ub5 s THR 36 Cb -0.14 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 69.01 1ub5 s THR 36 CO 0.10 -0.04 2.27 -1.22 -0.69 0.00 0.00 174.62 175.04 1ub5 n TYR 37 N 4.99 3.13 -5.16 4.92 4.02 -0.04 -2.70 117.16 126.32 1ub5 n TYR 37 Ca -0.13 -2.94 -0.32 0.00 -0.01 0.00 0.00 57.90 54.50 1ub5 n TYR 37 Cb 0.48 -2.34 -0.16 0.00 -0.02 0.00 0.00 39.34 37.30 1ub5 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1ub5 s LEU 38 N 0.96 2.22 0.09 7.72 2.96 -1.26 -1.83 118.68 129.55 1ub5 s LEU 38 Ca 0.49 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1ub5 s LEU 38 Cb 0.14 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1ub5 s LEU 38 CO -0.06 0.23 -0.09 -0.72 -1.32 0.00 0.00 176.35 174.39 1ub5 s TYR 39 N -0.08 1.01 -0.00 5.38 -0.85 -0.19 -0.22 117.35 122.39 1ub5 s TYR 39 Ca -0.05 -0.69 0.06 0.00 -0.52 0.00 0.00 57.07 55.86 1ub5 s TYR 39 Cb -0.14 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.62 1ub5 s TYR 39 CO 0.04 -0.03 -0.19 -1.58 -1.52 0.00 0.00 175.55 172.27 1ub5 s TRP 40 N -2.60 1.71 0.05 -3.49 0.52 0.34 -1.15 118.94 114.32 1ub5 s TRP 40 Ca 0.06 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.84 1ub5 s TRP 40 Cb -0.02 -1.08 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1ub5 s TRP 40 CO -0.01 -0.01 -0.03 1.52 0.02 0.00 0.00 176.95 178.45 1ub5 s TYR 41 N -0.52 0.50 -0.02 -1.98 -0.85 -0.08 -0.60 117.35 113.80 1ub5 s TYR 41 Ca 0.07 -1.02 0.08 0.00 -0.52 0.00 0.00 57.07 55.68 1ub5 s TYR 41 Cb -0.08 -0.37 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 1ub5 s TYR 41 CO -0.00 -0.36 -0.26 -1.17 -1.52 0.00 0.00 175.55 172.24 1ub5 s LEU 42 N -2.78 2.05 -0.20 -3.49 2.96 0.14 -0.64 118.68 116.73 1ub5 s LEU 42 Ca 0.05 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1ub5 s LEU 42 Cb 0.06 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.45 1ub5 s LEU 42 CO -0.09 0.31 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.57 1ub5 s GLN 43 N -0.58 2.01 0.07 1.98 2.00 -0.22 -0.10 119.66 124.82 1ub5 s GLN 43 Ca 0.09 -0.85 0.02 0.00 -2.00 0.00 0.00 55.36 52.62 1ub5 s GLN 43 Cb -0.10 -2.42 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 1ub5 s GLN 43 CO -0.01 -0.44 0.11 0.15 -0.50 0.00 0.00 175.29 174.61 1ub5 s LYS 44 N 1.39 3.02 0.07 1.67 1.02 -1.26 -1.15 119.74 124.50 1ub5 s LYS 44 Ca -0.02 -0.62 -0.34 0.00 0.02 0.00 0.00 55.97 55.01 1ub5 s LYS 44 Cb -0.16 -2.81 -0.13 0.00 -0.52 0.00 0.00 37.83 34.21 1ub5 s LYS 44 CO -0.08 0.58 1.67 -0.35 -0.92 0.00 0.00 175.35 176.25 1ub5 n PRO 45 N 0.47 2.11 -1.05 -1.68 -0.04 -1.26 -1.64 135.00 131.90 1ub5 n PRO 45 Ca -0.08 0.77 -0.02 0.00 -0.04 0.00 0.00 63.50 64.13 1ub5 n PRO 45 Cb 0.51 -2.55 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1ub5 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ub5 n GLY 46 N 3.70 0.53 3.12 0.55 0.00 -1.26 -5.03 105.19 106.80 1ub5 n GLY 46 Ca 0.19 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1ub5 n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ub5 s GLN 47 N -1.79 0.69 0.61 1.61 -0.21 -0.65 -5.15 119.66 114.77 1ub5 s GLN 47 Ca 0.00 -1.07 -0.13 0.00 0.02 0.00 0.00 55.36 54.18 1ub5 s GLN 47 Cb 0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.73 1ub5 s GLN 47 CO 0.00 0.01 1.03 -1.54 -2.12 0.00 0.00 175.29 172.68 1ub5 s SER 48 N -2.36 6.00 0.40 5.90 1.04 -1.26 -4.47 113.70 118.94 1ub5 s SER 48 Ca 0.02 1.59 -0.26 0.00 0.48 0.00 0.00 55.95 57.77 1ub5 s SER 48 Cb -0.02 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 1ub5 s SER 48 CO -0.02 -1.02 1.24 -2.65 0.98 0.00 0.00 173.24 171.77 1ub5 n PRO 49 N -2.45 1.92 -4.50 4.02 -0.02 -1.26 -4.70 135.00 128.00 1ub5 n PRO 49 Ca 0.07 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1ub5 n PRO 49 Cb 0.54 -2.32 -0.17 0.00 -0.02 0.00 0.00 33.50 31.53 1ub5 n PRO 49 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ub5 s GLN 50 N -2.08 2.52 0.21 -0.52 0.74 0.86 -4.93 119.66 116.46 1ub5 s GLN 50 Ca 0.59 -0.67 -0.30 0.00 0.05 0.00 0.00 55.36 55.04 1ub5 s GLN 50 Cb -0.53 -2.10 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 1ub5 s GLN 50 CO 0.59 -0.06 1.29 -1.17 -0.55 0.00 0.00 175.29 175.39 1ub5 s LEU 51 N 0.96 4.43 -0.12 3.68 2.96 -1.26 0.29 118.68 129.62 1ub5 s LEU 51 Ca -0.06 2.40 -0.08 0.00 -0.22 0.00 0.00 54.13 56.18 1ub5 s LEU 51 Cb -0.15 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1ub5 s LEU 51 CO -0.02 -0.49 -0.19 0.18 -1.32 0.00 0.00 176.35 174.51 1ub5 n LEU 52 N 2.38 1.16 -3.93 -0.68 4.77 0.24 -4.71 117.00 116.23 1ub5 n LEU 52 Ca 0.05 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1ub5 n LEU 52 Cb 0.43 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1ub5 n LEU 52 CO 0.58 0.09 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.74 1ub5 s ILE 53 N -2.32 0.06 0.10 -0.08 1.01 -1.02 -0.91 121.20 118.03 1ub5 s ILE 53 Ca -0.19 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1ub5 s ILE 53 Cb 0.06 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.33 1ub5 s ILE 53 CO 0.25 -0.28 -0.04 -0.72 0.00 0.00 0.00 174.94 174.15 1ub5 s TYR 54 N -0.83 0.82 -1.58 3.97 1.13 0.17 -0.51 117.35 120.52 1ub5 s TYR 54 Ca -0.09 -1.00 -0.13 0.00 -1.41 0.00 0.00 57.07 54.43 1ub5 s TYR 54 Cb -0.06 -0.50 0.10 0.00 -1.10 0.00 0.00 41.96 40.41 1ub5 s TYR 54 CO -0.01 -0.26 0.82 1.04 -2.51 0.00 0.00 175.55 174.63 1ub5 n GLN 55 N -0.03 -4.21 0.00 -3.49 6.02 -0.81 -1.47 117.38 113.39 1ub5 n GLN 55 Ca -0.11 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1ub5 n GLN 55 Cb 0.61 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.68 1ub5 n GLN 55 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1ub5 n MET 56 N -4.50 0.00 0.00 -1.09 0.00 0.70 -4.15 117.12 108.08 1ub5 n MET 56 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1ub5 n MET 56 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 33.22 33.74 1ub5 n MET 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ub5 n SER 57 N 1.79 0.89 -4.66 6.12 3.41 -1.21 -4.40 113.62 115.56 1ub5 n SER 57 Ca 0.00 -1.32 -0.39 0.00 -0.26 0.00 0.00 58.87 56.90 1ub5 n SER 57 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ub5 n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ub5 s ASN 58 N -0.32 6.57 0.29 4.04 0.01 -0.54 -4.88 114.94 120.11 1ub5 s ASN 58 Ca 0.00 0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 52.54 1ub5 s ASN 58 Cb 0.00 -2.29 -0.10 0.00 0.41 0.00 0.00 41.25 39.27 1ub5 s ASN 58 CO 0.00 -0.17 1.17 -0.76 -1.51 0.00 0.00 177.10 175.83 1ub5 s LEU 59 N 1.59 4.51 0.93 0.60 1.43 -1.26 -0.66 118.68 125.82 1ub5 s LEU 59 Ca 0.24 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.60 1ub5 s LEU 59 Cb -0.15 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.62 1ub5 s LEU 59 CO 0.10 -0.28 1.29 0.00 0.23 0.00 0.00 176.35 177.69 1ub5 s ALA 60 N -1.09 2.37 0.23 4.21 0.00 -0.09 -4.87 121.76 122.53 1ub5 s ALA 60 Ca 0.46 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 1ub5 s ALA 60 Cb -0.34 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 19.94 1ub5 s ALA 60 CO 0.45 -2.31 1.44 -1.54 0.00 0.00 0.00 175.76 173.80 1ub5 s SER 61 N -4.86 6.66 0.00 0.00 1.04 -1.26 -2.81 113.70 112.48 1ub5 s SER 61 Ca 0.73 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.79 1ub5 s SER 61 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ub5 s SER 61 CO 0.52 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1ub5 n GLY 62 N 2.41 0.53 3.65 7.32 0.00 -1.26 -5.00 105.19 112.83 1ub5 n GLY 62 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ub5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub5 s VAL 63 N -2.38 5.03 0.57 1.61 1.01 -1.12 -5.05 120.40 120.07 1ub5 s VAL 63 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1ub5 s VAL 63 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1ub5 s VAL 63 CO 0.00 0.10 1.21 -2.16 0.00 0.00 0.00 175.10 174.25 1ub5 s PRO 64 N 2.08 3.08 0.00 2.72 0.04 -1.26 -4.86 135.00 136.80 1ub5 s PRO 64 Ca 0.26 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ub5 s PRO 64 Cb -0.16 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1ub5 s PRO 64 CO 0.09 -1.12 0.42 0.27 0.04 0.00 0.00 177.00 176.70 1ub5 n ASN 65 N -1.41 0.11 0.21 6.66 2.04 -1.26 -2.11 115.26 119.50 1ub5 n ASN 65 Ca 0.13 -0.95 0.14 0.00 -0.44 0.00 0.00 54.58 53.46 1ub5 n ASN 65 Cb 0.49 -0.06 0.48 0.00 -2.53 0.00 0.00 39.78 38.16 1ub5 n ASN 65 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1ub5 h ARG 66 N 0.13 0.00 -5.66 -3.83 3.08 -1.89 -3.43 114.38 102.77 1ub5 h ARG 66 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1ub5 h ARG 66 Cb 0.06 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 1ub5 h ARG 66 CO 0.00 0.00 -0.35 -0.06 -1.07 0.00 0.00 179.97 178.49 1ub5 s PHE 67 N -3.40 3.57 0.07 3.04 0.08 -0.90 -0.96 117.98 119.49 1ub5 s PHE 67 Ca 0.05 0.66 -0.20 0.00 0.12 0.00 0.00 56.93 57.56 1ub5 s PHE 67 Cb 0.09 -2.19 0.05 0.00 -0.57 0.00 0.00 43.02 40.39 1ub5 s PHE 67 CO 0.55 0.50 0.48 -1.54 -0.10 0.00 0.00 175.22 175.11 1ub5 s SER 68 N -0.41 -0.38 0.01 1.36 1.04 -0.62 -5.00 113.70 109.71 1ub5 s SER 68 Ca 0.17 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.67 1ub5 s SER 68 Cb -0.14 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1ub5 s SER 68 CO 0.06 -0.75 -0.09 -0.55 0.98 0.00 0.00 173.24 172.89 1ub5 s SER 69 N -2.18 1.08 0.19 7.02 0.15 -1.26 0.03 113.70 118.71 1ub5 s SER 69 Ca -0.03 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1ub5 s SER 69 Cb -0.00 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1ub5 s SER 69 CO -0.05 0.02 0.20 -0.94 1.20 0.00 0.00 173.24 173.68 1ub5 s SER 70 N -0.68 0.12 0.00 5.45 1.04 -0.74 -4.70 113.70 114.19 1ub5 s SER 70 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1ub5 s SER 70 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ub5 s SER 70 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1ub5 n GLY 71 N -0.24 1.09 0.00 7.32 0.00 -1.26 -1.02 105.19 111.08 1ub5 n GLY 71 Ca -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1ub5 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ub5 n SER 72 N 0.00 0.00 0.10 1.61 3.41 -0.49 -4.98 113.62 113.27 1ub5 n SER 72 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1ub5 n SER 72 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ub5 n SER 72 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ub5 h GLY 73 N 0.00 0.00 0.00 5.00 0.00 -1.97 -3.40 103.07 102.70 1ub5 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ub5 h GLY 73 CO 0.00 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.23 1ub5 n THR 74 N -2.77 0.00 -3.99 4.70 -2.24 -1.26 -0.13 114.28 108.59 1ub5 n THR 74 Ca -0.01 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 1ub5 n THR 74 Cb 0.60 0.99 -0.17 0.00 -2.10 0.00 0.00 70.33 69.65 1ub5 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ub5 s ASP 75 N -0.86 2.09 0.15 3.42 1.01 -1.26 -1.15 116.67 120.07 1ub5 s ASP 75 Ca 0.00 -0.29 0.04 0.00 0.71 0.00 0.00 52.55 53.01 1ub5 s ASP 75 Cb 0.00 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 1ub5 s ASP 75 CO 0.00 -0.10 -0.10 -0.36 0.21 0.00 0.00 175.17 174.82 1ub5 s PHE 76 N 1.57 1.28 -0.04 4.23 0.40 0.27 -1.40 117.98 124.29 1ub5 s PHE 76 Ca 0.02 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.58 1ub5 s PHE 76 Cb -0.13 -0.65 0.03 0.00 0.51 0.00 0.00 43.02 42.78 1ub5 s PHE 76 CO -0.07 0.08 0.08 0.99 0.70 0.00 0.00 175.22 177.01 1ub5 s THR 77 N -3.32 -0.11 -0.15 0.64 2.01 -0.18 -1.26 115.64 113.26 1ub5 s THR 77 Ca 0.17 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1ub5 s THR 77 Cb 0.03 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1ub5 s THR 77 CO 0.01 0.13 0.46 -0.22 -0.69 0.00 0.00 174.62 174.31 1ub5 s LEU 78 N 1.74 4.24 -0.11 4.42 2.96 0.14 -1.79 118.68 130.27 1ub5 s LEU 78 Ca -0.01 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1ub5 s LEU 78 Cb -0.12 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1ub5 s LEU 78 CO -0.04 -0.03 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.69 1ub5 s ARG 79 N 0.85 3.16 -0.26 1.98 1.81 0.10 -0.31 118.95 126.29 1ub5 s ARG 79 Ca 0.24 -0.71 0.03 0.00 -1.72 0.00 0.00 55.73 53.56 1ub5 s ARG 79 Cb -0.15 -2.54 0.06 0.00 -0.45 0.00 0.00 34.95 31.88 1ub5 s ARG 79 CO 0.09 0.29 -0.11 0.42 -0.68 0.00 0.00 175.30 175.32 1ub5 s ILE 80 N 0.13 2.13 0.37 1.52 1.01 -0.32 -1.58 121.20 124.46 1ub5 s ILE 80 Ca -0.07 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 58.86 1ub5 s ILE 80 Cb -0.15 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 1ub5 s ILE 80 CO 0.05 -0.03 0.73 -0.94 0.00 0.00 0.00 174.94 174.75 1ub5 s SER 81 N 1.12 6.54 -1.32 3.58 1.04 -0.13 -0.78 113.70 123.75 1ub5 s SER 81 Ca -0.09 1.09 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 1ub5 s SER 81 Cb -0.20 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1ub5 s SER 81 CO -0.05 -0.34 0.50 0.54 0.98 0.00 0.00 173.24 174.87 1ub5 n ARG 82 N -1.09 -1.49 -1.54 4.02 1.74 -1.19 -4.79 116.66 112.31 1ub5 n ARG 82 Ca 0.02 0.26 -0.53 0.00 -0.77 0.00 0.00 57.85 56.84 1ub5 n ARG 82 Cb 0.54 -3.70 -0.06 0.00 -1.02 0.00 0.00 32.46 28.23 1ub5 n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ub5 n VAL 83 N -4.57 0.53 -4.25 1.55 0.31 -0.39 -4.47 118.33 107.05 1ub5 n VAL 83 Ca -0.21 -0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 1ub5 n VAL 83 Cb 0.63 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 33.01 1ub5 n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ub5 s GLU 84 N -0.13 2.41 0.31 5.55 2.02 -1.26 -1.12 118.70 126.48 1ub5 s GLU 84 Ca 0.80 -1.28 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1ub5 s GLU 84 Cb -1.01 -2.27 0.61 0.00 0.10 0.00 0.00 34.13 31.55 1ub5 s GLU 84 CO 0.53 0.39 1.89 0.00 0.02 0.00 0.00 175.26 178.09 1ub5 h ALA 85 N 2.05 1.59 0.00 5.21 0.00 -1.94 -1.02 119.26 125.16 1ub5 h ALA 85 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ub5 h ALA 85 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ub5 h ALA 85 CO 0.60 0.22 0.00 -0.85 0.00 0.00 0.00 179.25 179.22 1ub5 n GLU 86 N -4.53 0.35 0.00 0.00 0.28 -1.26 -2.97 120.64 112.50 1ub5 n GLU 86 Ca 0.16 0.08 0.14 0.00 -0.16 0.00 0.00 57.16 57.37 1ub5 n GLU 86 Cb 0.30 -1.50 0.58 0.00 1.43 0.00 0.00 31.44 32.25 1ub5 n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ub5 n ASP 87 N -1.16 0.08 -4.73 -1.84 8.00 -0.39 -4.89 116.55 111.62 1ub5 n ASP 87 Ca 0.10 0.34 -0.40 0.00 0.71 0.00 0.00 54.79 55.54 1ub5 n ASP 87 Cb 0.10 -0.38 0.02 0.00 -0.02 0.00 0.00 41.12 40.84 1ub5 n ASP 87 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ub5 n VAL 88 N -1.47 3.04 -2.53 2.53 0.24 -1.16 -4.87 118.33 114.11 1ub5 n VAL 88 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1ub5 n VAL 88 Cb 0.33 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 1ub5 n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ub5 n GLY 89 N 0.73 -0.39 3.35 7.63 0.00 -1.26 -4.82 105.19 110.43 1ub5 n GLY 89 Ca 0.07 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1ub5 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub5 s VAL 90 N -2.71 3.29 -0.25 1.61 1.01 -0.30 -0.77 120.40 122.27 1ub5 s VAL 90 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1ub5 s VAL 90 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1ub5 s VAL 90 CO 0.00 0.47 0.17 -0.31 0.00 0.00 0.00 175.10 175.43 1ub5 s TYR 91 N 0.97 3.28 -0.05 5.22 1.51 0.16 -1.05 117.35 127.39 1ub5 s TYR 91 Ca -0.01 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.27 1ub5 s TYR 91 Cb -0.15 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1ub5 s TYR 91 CO -0.00 -0.01 -0.11 0.71 -1.11 0.00 0.00 175.55 175.03 1ub5 s TYR 92 N 1.28 2.80 0.22 2.71 2.02 0.18 -0.64 117.35 125.93 1ub5 s TYR 92 Ca 0.07 -0.08 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 1ub5 s TYR 92 Cb -0.14 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1ub5 s TYR 92 CO 0.07 0.26 0.12 0.00 -1.57 0.00 0.00 175.55 174.42 1ub5 s ALA 94 N -2.02 -1.69 0.00 0.00 0.00 -0.30 -0.83 121.76 116.93 1ub5 s ALA 94 Ca 0.31 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.82 1ub5 s ALA 94 Cb -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1ub5 s ALA 94 CO 0.23 -0.88 -0.25 1.14 0.00 0.00 0.00 175.76 176.00 1ub5 s GLN 95 N -3.31 1.90 -0.31 0.00 1.03 -1.13 -1.02 119.66 116.82 1ub5 s GLN 95 Ca 0.08 -0.94 0.13 0.00 0.04 0.00 0.00 55.36 54.67 1ub5 s GLN 95 Cb -0.01 -1.91 0.47 0.00 0.03 0.00 0.00 33.01 31.59 1ub5 s GLN 95 CO -0.03 0.51 1.13 0.27 -2.54 0.00 0.00 175.29 174.63 1ub5 n ASN 96 N 2.27 3.53 0.04 12.60 6.94 -0.76 -4.22 115.26 135.65 1ub5 n ASN 96 Ca -0.16 -3.13 -0.22 0.00 -0.02 0.00 0.00 54.58 51.05 1ub5 n ASN 96 Cb 0.52 -0.42 -0.14 0.00 -2.36 0.00 0.00 39.78 37.37 1ub5 n ASN 96 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1ub5 h LEU 97 N 2.46 0.52 -7.78 -4.53 5.85 -1.93 -3.47 115.31 106.42 1ub5 h LEU 97 Ca 0.16 -0.92 0.02 0.00 0.84 0.00 0.00 57.88 57.98 1ub5 h LEU 97 Cb 1.32 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1ub5 h LEU 97 CO 0.58 1.77 0.14 -1.83 -0.34 0.00 0.00 178.44 178.76 1ub5 s GLU 98 N -2.55 1.58 0.29 1.25 -1.05 -1.26 -5.10 118.70 111.85 1ub5 s GLU 98 Ca -0.19 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 53.60 1ub5 s GLU 98 Cb 0.05 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.23 1ub5 s GLU 98 CO 0.81 -0.70 0.68 -0.51 0.95 0.00 0.00 175.26 176.49 1ub5 s LEU 99 N -2.89 4.11 0.48 1.83 1.43 -1.26 -4.00 118.68 118.38 1ub5 s LEU 99 Ca 0.10 1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 1ub5 s LEU 99 Cb -0.03 -3.92 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 1ub5 s LEU 99 CO 0.01 -0.15 0.95 -2.16 0.23 0.00 0.00 176.35 175.24 1ub5 s PRO 100 N -2.86 4.01 0.32 1.29 0.04 -1.26 -4.99 135.00 131.55 1ub5 s PRO 100 Ca 0.51 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1ub5 s PRO 100 Cb -0.11 -2.18 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1ub5 s PRO 100 CO 0.19 -0.17 1.43 -2.14 0.04 0.00 0.00 177.00 176.34 1ub5 s PRO 101 N -3.78 4.23 0.07 0.56 0.02 -1.26 -4.78 135.00 130.07 1ub5 s PRO 101 Ca 0.59 2.40 0.04 0.00 0.02 0.00 0.00 61.00 64.05 1ub5 s PRO 101 Cb -0.10 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 1ub5 s PRO 101 CO 0.26 -0.40 -0.12 0.95 -0.33 0.00 0.00 177.00 177.36 1ub5 s THR 102 N -0.75 0.93 0.07 0.99 -4.23 -1.26 -5.08 115.64 106.31 1ub5 s THR 102 Ca 0.54 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1ub5 s THR 102 Cb -0.43 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 1ub5 s THR 102 CO 0.54 -0.35 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.81 1ub5 s PHE 103 N -1.59 0.95 0.81 3.99 0.40 -1.26 -2.86 117.98 118.43 1ub5 s PHE 103 Ca -0.02 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.61 1ub5 s PHE 103 Cb -0.08 -0.54 0.08 0.00 0.51 0.00 0.00 43.02 42.99 1ub5 s PHE 103 CO 0.01 -0.03 1.12 0.20 0.70 0.00 0.00 175.22 177.23 1ub5 s GLY 104 N -2.05 1.61 0.00 4.36 0.00 -0.01 -4.56 107.32 106.67 1ub5 s GLY 104 Ca -0.01 -0.39 0.24 0.00 0.00 0.00 0.00 44.72 44.56 1ub5 s GLY 104 CO 0.00 0.07 1.79 0.61 0.00 0.00 0.00 173.10 175.58 1ub5 n GLY 105 N -2.50 -1.14 0.00 0.20 0.00 -1.26 -4.79 105.19 95.70 1ub5 n GLY 105 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ub5 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub5 n GLY 106 N 0.81 -1.96 3.12 -0.02 0.00 -1.26 -4.99 105.19 100.89 1ub5 n GLY 106 Ca 0.10 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1ub5 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ub5 s THR 107 N -2.15 2.07 -0.01 2.61 2.01 0.19 -4.28 115.64 116.08 1ub5 s THR 107 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1ub5 s THR 107 Cb 0.00 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1ub5 s THR 107 CO 0.00 0.54 1.03 -0.75 -0.69 0.00 0.00 174.62 174.75 1ub5 s LYS 108 N 1.26 4.51 -0.22 4.92 2.20 -0.40 -0.66 119.74 131.35 1ub5 s LYS 108 Ca 0.04 1.48 -0.22 0.00 -0.36 0.00 0.00 55.97 56.91 1ub5 s LYS 108 Cb -0.13 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1ub5 s LYS 108 CO -0.12 -0.14 0.70 -1.17 -0.36 0.00 0.00 175.35 174.26 1ub5 s LEU 109 N 1.23 4.11 -0.12 5.43 2.96 0.05 -3.42 118.68 128.91 1ub5 s LEU 109 Ca 0.53 0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1ub5 s LEU 109 Cb -0.22 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1ub5 s LEU 109 CO 0.26 -0.38 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.28 1ub5 s GLU 110 N 2.34 3.32 -0.06 1.98 2.02 -1.26 -4.05 118.70 123.00 1ub5 s GLU 110 Ca 0.30 -0.48 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 1ub5 s GLU 110 Cb -0.16 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.18 1ub5 s GLU 110 CO 0.09 0.46 0.25 0.42 0.02 0.00 0.00 175.26 176.50 1ub5 s ILE 111 N -0.23 5.32 0.12 -1.63 -1.09 -1.26 -0.28 121.20 122.15 1ub5 s ILE 111 Ca 0.05 0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 58.66 1ub5 s ILE 111 Cb -0.13 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.15 1ub5 s ILE 111 CO 0.02 0.55 0.61 -0.75 -1.23 0.00 0.00 174.94 174.14 1ub5 s LYS 112 N -1.21 4.21 0.33 2.79 2.20 0.62 -4.68 119.74 124.00 1ub5 s LYS 112 Ca 0.20 0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 1ub5 s LYS 112 Cb -0.14 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1ub5 s LYS 112 CO 0.10 0.56 0.60 -0.98 -0.36 0.00 0.00 175.35 175.27 1ub5 s ARG 113 N -1.41 1.94 0.44 4.03 1.70 -1.26 -4.52 118.95 119.87 1ub5 s ARG 113 Ca 0.34 -1.49 -0.22 0.00 -0.47 0.00 0.00 55.73 53.88 1ub5 s ARG 113 Cb -0.19 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1ub5 s ARG 113 CO 0.20 -0.85 1.07 0.00 -1.08 0.00 0.00 175.30 174.64 1ub5 s ALA 114 N -3.06 2.98 1.05 7.88 0.00 -1.26 -5.01 121.76 124.34 1ub5 s ALA 114 Ca 0.22 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 1ub5 s ALA 114 Cb -0.02 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1ub5 s ALA 114 CO 0.14 -0.34 0.56 -0.25 0.00 0.00 0.00 175.76 175.87 1ub5 n ASP 115 N -0.49 -1.66 -3.59 0.00 9.92 -1.26 -4.80 116.55 114.67 1ub5 n ASP 115 Ca 0.07 0.10 -0.01 0.00 -0.53 0.00 0.00 54.79 54.42 1ub5 n ASP 115 Cb 0.50 -1.19 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1ub5 n ASP 115 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ub5 s ALA 116 N -2.39 -2.43 0.31 2.24 0.00 -0.87 -4.88 121.76 113.73 1ub5 s ALA 116 Ca 0.61 2.14 -0.27 0.00 0.00 0.00 0.00 51.96 54.43 1ub5 s ALA 116 Cb -0.20 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.00 1ub5 s ALA 116 CO 0.65 -0.46 1.00 0.00 0.00 0.00 0.00 175.76 176.95 1ub5 s ALA 117 N 1.50 3.27 0.44 0.00 0.00 -1.26 -1.91 121.76 123.79 1ub5 s ALA 117 Ca -0.08 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 1ub5 s ALA 117 Cb -0.04 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1ub5 s ALA 117 CO -0.15 0.02 1.17 -1.25 0.00 0.00 0.00 175.76 175.55 1ub5 s PRO 118 N -1.77 3.85 -0.56 0.00 0.04 -1.26 -4.67 135.00 130.63 1ub5 s PRO 118 Ca 0.48 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 1ub5 s PRO 118 Cb -0.25 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 31.85 1ub5 s PRO 118 CO 0.31 -0.48 0.91 0.99 0.04 0.00 0.00 177.00 178.77 1ub5 s THR 119 N -1.51 4.43 -0.11 1.26 2.01 -0.07 -4.80 115.64 116.86 1ub5 s THR 119 Ca 0.62 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.56 1ub5 s THR 119 Cb -0.29 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 1ub5 s THR 119 CO 0.36 -1.12 0.55 -0.69 -0.69 0.00 0.00 174.62 173.03 1ub5 s VAL 120 N 3.84 5.14 -0.06 3.82 1.01 -1.25 -2.38 120.40 130.52 1ub5 s VAL 120 Ca 0.28 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 1ub5 s VAL 120 Cb -0.14 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1ub5 s VAL 120 CO 0.18 0.29 0.02 -0.44 0.00 0.00 0.00 175.10 175.14 1ub5 s SER 121 N 0.72 1.43 0.09 3.32 0.01 -0.68 -4.97 113.70 113.62 1ub5 s SER 121 Ca 0.29 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.57 1ub5 s SER 121 Cb -0.16 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1ub5 s SER 121 CO 0.13 -0.21 0.00 -0.51 0.41 0.00 0.00 173.24 173.06 1ub5 s ILE 122 N 2.01 4.03 -0.02 1.44 2.07 -1.26 -0.35 121.20 129.12 1ub5 s ILE 122 Ca 0.05 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.29 1ub5 s ILE 122 Cb -0.12 -2.93 0.02 0.00 0.13 0.00 0.00 42.46 39.56 1ub5 s ILE 122 CO -0.04 0.11 -0.00 -0.36 -1.91 0.00 0.00 174.94 172.73 1ub5 s PHE 123 N -1.33 0.21 0.61 3.50 0.40 0.47 -4.95 117.98 116.89 1ub5 s PHE 123 Ca 0.26 0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1ub5 s PHE 123 Cb -0.12 -0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 1ub5 s PHE 123 CO 0.19 -0.07 0.97 -1.25 0.70 0.00 0.00 175.22 175.75 1ub5 s PRO 124 N 0.57 3.26 0.29 0.24 0.04 -1.26 -1.45 135.00 136.69 1ub5 s PRO 124 Ca -0.05 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 1ub5 s PRO 124 Cb -0.08 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 1ub5 s PRO 124 CO -0.01 -0.63 0.82 -2.30 0.04 0.00 0.00 177.00 174.92 1ub5 n PRO 125 N -2.67 0.92 -2.70 0.56 -0.02 -1.22 -4.86 135.00 125.00 1ub5 n PRO 125 Ca 0.05 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 1ub5 n PRO 125 Cb 0.56 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 1ub5 n PRO 125 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ub5 s SER 126 N -0.73 6.73 0.25 2.55 0.15 -1.26 -4.91 113.70 116.48 1ub5 s SER 126 Ca 0.61 1.81 -0.05 0.00 0.70 0.00 0.00 55.95 59.01 1ub5 s SER 126 Cb -0.74 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 61.34 1ub5 s SER 126 CO 0.59 -0.50 1.88 0.77 1.20 0.00 0.00 173.24 177.18 1ub5 h SER 127 N 1.90 0.99 -0.12 5.45 4.64 -1.99 -0.57 113.55 123.84 1ub5 h SER 127 Ca -0.49 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1ub5 h SER 127 Cb 1.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1ub5 h SER 127 CO 0.61 0.66 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.89 1ub5 h GLU 128 N 1.14 0.32 0.05 4.77 5.08 -2.00 -1.51 114.58 122.44 1ub5 h GLU 128 Ca 0.38 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.42 1ub5 h GLU 128 Cb 0.05 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ub5 h GLU 128 CO -0.14 0.35 -1.11 0.37 -1.00 0.00 0.00 179.01 177.48 1ub5 h GLN 129 N 0.31 0.61 -0.35 2.33 4.15 -1.53 -3.27 115.11 117.36 1ub5 h GLN 129 Ca 0.07 -0.72 -0.09 0.00 0.77 0.00 0.00 58.65 58.69 1ub5 h GLN 129 Cb 0.22 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1ub5 h GLN 129 CO 0.01 1.30 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.99 1ub5 h LEU 130 N 0.31 0.62 -1.23 -2.39 3.38 -0.82 -2.15 115.31 113.03 1ub5 h LEU 130 Ca -0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1ub5 h LEU 130 Cb 1.77 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1ub5 h LEU 130 CO 0.21 0.79 0.00 0.35 0.09 0.00 0.00 178.44 179.88 1ub5 n THR 131 N -4.16 1.06 0.69 0.22 -2.24 -0.60 -0.16 114.28 109.08 1ub5 n THR 131 Ca 0.01 0.64 0.09 0.00 -2.27 0.00 0.00 64.05 62.52 1ub5 n THR 131 Cb 0.37 -1.63 0.10 0.00 -2.10 0.00 0.00 70.33 67.06 1ub5 n THR 131 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ub5 n SER 132 N -2.21 2.68 0.00 3.42 3.41 -0.84 -4.97 113.62 115.11 1ub5 n SER 132 Ca -0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1ub5 n SER 132 Cb 0.06 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1ub5 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ub5 n GLY 133 N 1.08 3.27 3.79 5.00 0.00 0.77 -5.06 105.19 114.05 1ub5 n GLY 133 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1ub5 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub5 s GLY 134 N -2.63 1.58 -0.32 -0.02 0.00 -1.02 -1.45 107.32 103.45 1ub5 s GLY 134 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 1ub5 s GLY 134 CO 0.00 0.04 0.81 0.00 0.00 0.00 0.00 173.10 173.95 1ub5 s ALA 135 N -3.27 -3.21 -0.05 3.20 0.00 -0.97 -3.69 121.76 113.76 1ub5 s ALA 135 Ca 0.64 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.68 1ub5 s ALA 135 Cb -0.15 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 1ub5 s ALA 135 CO 0.53 -2.08 -0.20 -1.54 0.00 0.00 0.00 175.76 172.48 1ub5 s SER 136 N 2.58 2.50 -0.16 0.00 1.04 -1.26 -1.12 113.70 117.27 1ub5 s SER 136 Ca 0.17 -0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 1ub5 s SER 136 Cb -0.04 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1ub5 s SER 136 CO -0.20 0.18 0.03 0.54 0.98 0.00 0.00 173.24 174.77 1ub5 s VAL 137 N 0.02 4.53 0.04 5.02 0.11 -0.29 -3.46 120.40 126.38 1ub5 s VAL 137 Ca -0.05 -0.13 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 1ub5 s VAL 137 Cb -0.13 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1ub5 s VAL 137 CO 0.03 0.49 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.36 1ub5 s VAL 138 N 0.18 1.97 -0.16 2.04 1.01 -0.53 -1.80 120.40 123.11 1ub5 s VAL 138 Ca 0.03 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1ub5 s VAL 138 Cb -0.13 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1ub5 s VAL 138 CO 0.01 0.31 0.38 0.00 0.00 0.00 0.00 175.10 175.80 1ub5 s PHE 140 N 1.42 3.59 -0.55 0.00 0.08 0.53 -2.04 117.98 121.01 1ub5 s PHE 140 Ca -0.09 0.56 0.02 0.00 0.12 0.00 0.00 56.93 57.54 1ub5 s PHE 140 Cb -0.09 -2.00 0.14 0.00 -0.57 0.00 0.00 43.02 40.50 1ub5 s PHE 140 CO -0.12 0.68 0.32 -0.51 -0.10 0.00 0.00 175.22 175.49 1ub5 s LEU 141 N -0.88 4.60 0.19 -0.37 1.02 -0.53 -1.69 118.68 121.02 1ub5 s LEU 141 Ca 0.15 -2.98 0.02 0.00 0.02 0.00 0.00 54.13 51.35 1ub5 s LEU 141 Cb -0.12 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1ub5 s LEU 141 CO 0.04 -0.27 0.33 0.20 0.02 0.00 0.00 176.35 176.68 1ub5 s ASN 142 N -0.01 6.34 -1.21 2.29 0.02 -1.00 -1.69 114.94 119.67 1ub5 s ASN 142 Ca 0.17 0.20 -0.27 0.00 -1.02 0.00 0.00 52.86 51.94 1ub5 s ASN 142 Cb -0.24 -1.92 0.02 0.00 0.02 0.00 0.00 41.25 39.13 1ub5 s ASN 142 CO -0.01 -0.01 0.68 0.59 0.02 0.00 0.00 177.10 178.37 1ub5 n ASN 143 N -0.83 -4.13 -4.67 -1.22 4.13 -0.73 -0.89 115.26 106.91 1ub5 n ASN 143 Ca -0.07 -1.19 -0.24 0.00 1.68 0.00 0.00 54.58 54.76 1ub5 n ASN 143 Cb 0.55 -2.30 -0.08 0.00 -1.54 0.00 0.00 39.78 36.41 1ub5 n ASN 143 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ub5 s PHE 144 N -3.57 2.61 -0.27 3.10 -0.71 0.53 -4.51 117.98 115.15 1ub5 s PHE 144 Ca 0.45 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 1ub5 s PHE 144 Cb -0.21 -1.53 0.08 0.00 -1.21 0.00 0.00 43.02 40.14 1ub5 s PHE 144 CO 0.93 0.43 0.73 -0.47 -1.34 0.00 0.00 175.22 175.51 1ub5 s TYR 145 N -2.48 -0.87 0.43 3.49 5.04 -0.80 -0.61 117.35 121.55 1ub5 s TYR 145 Ca 0.36 1.95 -0.07 0.00 -2.44 0.00 0.00 57.07 56.86 1ub5 s TYR 145 Cb -0.01 0.40 0.11 0.00 0.35 0.00 0.00 41.96 42.81 1ub5 s TYR 145 CO 0.20 -0.42 0.29 -2.30 -1.34 0.00 0.00 175.55 171.98 1ub5 n PRO 146 N 3.24 -2.52 0.18 4.97 -0.02 -1.26 -2.04 135.00 137.55 1ub5 n PRO 146 Ca -0.16 -0.48 0.12 0.00 -2.02 0.00 0.00 63.50 60.96 1ub5 n PRO 146 Cb 0.56 -0.56 0.21 0.00 -0.02 0.00 0.00 33.50 33.69 1ub5 n PRO 146 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1ub5 h LYS 147 N 0.00 0.00 -6.23 -0.52 -0.00 -1.99 -3.45 116.57 104.39 1ub5 h LYS 147 Ca -0.12 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 59.97 1ub5 h LYS 147 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.62 1ub5 h LYS 147 CO 0.08 0.00 1.00 -0.51 -0.00 0.00 0.00 179.45 180.02 1ub5 s ASP 148 N -5.71 6.79 0.26 7.07 1.11 -1.26 -4.97 116.67 119.95 1ub5 s ASP 148 Ca 0.07 2.02 -0.21 0.00 0.18 0.00 0.00 52.55 54.61 1ub5 s ASP 148 Cb 0.07 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.55 1ub5 s ASP 148 CO 0.66 -0.85 0.68 -0.51 1.18 0.00 0.00 175.17 176.34 1ub5 s ILE 149 N 3.71 0.00 -0.16 0.77 2.07 -1.26 -4.53 121.20 121.80 1ub5 s ILE 149 Ca 0.66 -0.84 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 1ub5 s ILE 149 Cb -0.29 -1.83 0.05 0.00 0.13 0.00 0.00 42.46 40.53 1ub5 s ILE 149 CO 0.24 -0.00 0.40 0.54 -1.91 0.00 0.00 174.94 174.20 1ub5 s ASN 150 N -2.89 -0.48 0.05 4.50 2.20 -1.19 -5.05 114.94 112.06 1ub5 s ASN 150 Ca 0.10 0.86 0.05 0.00 -0.94 0.00 0.00 52.86 52.92 1ub5 s ASN 150 Cb -0.05 0.78 -0.04 0.00 -2.00 0.00 0.00 41.25 39.94 1ub5 s ASN 150 CO 0.03 -0.18 -0.09 0.54 -2.94 0.00 0.00 177.10 174.47 1ub5 s VAL 151 N 1.01 3.49 -0.01 3.54 0.11 -1.26 -1.20 120.40 126.07 1ub5 s VAL 151 Ca -0.06 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.00 1ub5 s VAL 151 Cb -0.07 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1ub5 s VAL 151 CO -0.08 0.28 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.18 1ub5 s LYS 152 N -1.74 0.39 -0.03 1.54 2.20 0.20 -4.97 119.74 117.33 1ub5 s LYS 152 Ca 0.19 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.66 1ub5 s LYS 152 Cb -0.11 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 1ub5 s LYS 152 CO 0.10 0.05 0.09 -1.58 -0.36 0.00 0.00 175.35 173.65 1ub5 s TRP 153 N 0.15 3.35 -0.11 4.03 0.52 -1.26 0.12 118.94 125.75 1ub5 s TRP 153 Ca -0.01 0.28 -0.03 0.00 0.02 0.00 0.00 56.10 56.35 1ub5 s TRP 153 Cb -0.05 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1ub5 s TRP 153 CO -0.00 0.58 0.06 0.15 0.02 0.00 0.00 176.95 177.75 1ub5 s LYS 154 N -1.54 0.18 -0.37 4.98 1.02 -0.47 -1.52 119.74 122.02 1ub5 s LYS 154 Ca 0.21 0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.18 1ub5 s LYS 154 Cb -0.12 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.01 1ub5 s LYS 154 CO 0.11 -0.47 0.20 0.42 -0.92 0.00 0.00 175.35 174.69 1ub5 s ILE 155 N 2.09 4.53 -1.25 2.17 1.01 0.39 -0.09 121.20 130.05 1ub5 s ILE 155 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1ub5 s ILE 155 Cb -0.14 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1ub5 s ILE 155 CO -0.06 -0.21 1.08 0.47 0.00 0.00 0.00 174.94 176.22 1ub5 n ASP 156 N 4.99 -5.08 0.00 3.58 8.00 -0.70 -2.08 116.55 125.26 1ub5 n ASP 156 Ca -0.12 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1ub5 n ASP 156 Cb 0.46 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 1ub5 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ub5 n GLY 157 N -1.72 2.97 3.87 0.44 0.00 -1.26 -5.01 105.19 104.48 1ub5 n GLY 157 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1ub5 n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub5 s SER 158 N -1.48 6.63 -0.21 1.61 0.15 -0.88 -5.00 113.70 114.51 1ub5 s SER 158 Ca 0.00 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.15 1ub5 s SER 158 Cb 0.00 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1ub5 s SER 158 CO 0.00 0.14 0.97 -1.61 1.20 0.00 0.00 173.24 173.95 1ub5 s GLU 159 N -2.05 4.27 -0.60 5.44 2.02 -1.26 0.15 118.70 126.66 1ub5 s GLU 159 Ca 0.35 1.25 -0.08 0.00 0.02 0.00 0.00 54.97 56.50 1ub5 s GLU 159 Cb -0.14 -3.62 0.16 0.00 0.10 0.00 0.00 34.13 30.63 1ub5 s GLU 159 CO 0.19 -0.54 0.48 0.50 0.02 0.00 0.00 175.26 175.91 1ub5 s ARG 160 N 2.89 2.77 0.01 1.61 6.06 -0.58 -4.88 118.95 126.83 1ub5 s ARG 160 Ca 0.42 -2.18 0.12 0.00 -2.50 0.00 0.00 55.73 51.60 1ub5 s ARG 160 Cb -0.16 -3.98 -0.20 0.00 0.06 0.00 0.00 34.95 30.67 1ub5 s ARG 160 CO 0.08 -1.21 0.83 0.37 -2.50 0.00 0.00 175.30 172.87 1ub5 h GLN 161 N 7.84 0.00 -6.80 5.12 4.15 -1.95 -3.40 115.11 120.08 1ub5 h GLN 161 Ca -0.07 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.86 1ub5 h GLN 161 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1ub5 h GLN 161 CO 0.79 0.55 0.39 1.21 -1.93 0.00 0.00 178.83 179.84 1ub5 s ASN 162 N -6.17 7.44 0.00 -0.69 2.47 -1.26 -3.72 114.94 113.01 1ub5 s ASN 162 Ca -0.03 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.28 1ub5 s ASN 162 Cb 0.08 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1ub5 s ASN 162 CO 0.82 -0.00 0.00 0.61 -3.72 0.00 0.00 177.10 174.81 1ub5 n GLY 163 N 1.20 0.70 3.84 1.21 0.00 -1.26 -4.93 105.19 105.96 1ub5 n GLY 163 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ub5 n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub5 s VAL 164 N -2.42 5.49 -0.05 1.61 0.11 -1.24 -1.51 120.40 122.39 1ub5 s VAL 164 Ca 0.00 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.30 1ub5 s VAL 164 Cb 0.00 -3.42 -0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1ub5 s VAL 164 CO 0.00 0.58 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.40 1ub5 s LEU 165 N -0.69 1.95 0.04 2.54 1.43 -0.30 -4.96 118.68 118.68 1ub5 s LEU 165 Ca 0.13 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1ub5 s LEU 165 Cb -0.12 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1ub5 s LEU 165 CO 0.03 0.17 -0.26 0.20 0.23 0.00 0.00 176.35 176.71 1ub5 s ASN 166 N 0.02 3.15 -0.03 2.29 0.01 -1.26 -0.39 114.94 118.73 1ub5 s ASN 166 Ca -0.05 -0.58 -0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1ub5 s ASN 166 Cb -0.12 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.27 1ub5 s ASN 166 CO 0.03 0.26 0.03 -0.55 -1.51 0.00 0.00 177.10 175.37 1ub5 s SER 167 N -1.19 0.49 -0.01 -1.22 0.15 -0.64 -4.99 113.70 106.30 1ub5 s SER 167 Ca 0.12 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.84 1ub5 s SER 167 Cb -0.10 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1ub5 s SER 167 CO 0.02 -0.16 -0.11 0.26 1.20 0.00 0.00 173.24 174.45 1ub5 s TRP 168 N 1.43 2.79 0.62 3.44 0.51 -1.26 -1.00 118.94 125.46 1ub5 s TRP 168 Ca -0.04 -0.10 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 1ub5 s TRP 168 Cb -0.13 -1.59 0.05 0.00 -0.81 0.00 0.00 33.47 30.99 1ub5 s TRP 168 CO -0.03 0.31 0.87 0.95 -0.51 0.00 0.00 176.95 178.54 1ub5 s THR 169 N -0.91 2.49 0.69 2.01 -4.23 -0.51 -5.00 115.64 110.19 1ub5 s THR 169 Ca 0.15 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 1ub5 s THR 169 Cb -0.11 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.86 1ub5 s THR 169 CO 0.05 0.00 0.99 -1.81 -0.54 0.00 0.00 174.62 173.31 1ub5 s ASP 170 N -4.50 4.75 0.15 3.99 1.01 -1.26 -4.63 116.67 116.19 1ub5 s ASP 170 Ca 0.59 0.27 -0.33 0.00 0.71 0.00 0.00 52.55 53.80 1ub5 s ASP 170 Cb -0.10 -0.90 -0.13 0.00 1.01 0.00 0.00 42.92 42.80 1ub5 s ASP 170 CO 0.41 -1.61 1.68 1.67 0.21 0.00 0.00 175.17 177.53 1ub5 n GLN 171 N -2.86 2.41 -1.71 8.23 7.27 -1.26 -4.75 117.38 124.71 1ub5 n GLN 171 Ca 0.09 0.87 -0.43 0.00 0.07 0.00 0.00 57.00 57.60 1ub5 n GLN 171 Cb 0.60 -2.68 -0.02 0.00 2.41 0.00 0.00 30.24 30.55 1ub5 n GLN 171 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1ub5 n ASP 172 N 4.16 3.40 0.03 1.69 2.03 0.81 -4.88 116.55 123.80 1ub5 n ASP 172 Ca 0.17 1.14 0.09 0.00 0.52 0.00 0.00 54.79 56.71 1ub5 n ASP 172 Cb 0.32 -1.52 0.39 0.00 -0.72 0.00 0.00 41.12 39.59 1ub5 n ASP 172 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ub5 n SER 173 N 2.35 0.14 -0.05 1.67 2.88 -1.26 -1.95 113.62 117.41 1ub5 n SER 173 Ca 0.11 0.53 -0.10 0.00 -1.33 0.00 0.00 58.87 58.07 1ub5 n SER 173 Cb 0.34 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 1ub5 n SER 173 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ub5 n LYS 174 N -1.65 0.26 0.00 -1.46 4.76 -1.26 -4.42 118.16 114.39 1ub5 n LYS 174 Ca 0.04 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.70 1ub5 n LYS 174 Cb 0.22 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1ub5 n LYS 174 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ub5 n ASP 175 N -3.69 1.73 -1.07 4.39 4.64 -1.26 -4.97 116.55 116.32 1ub5 n ASP 175 Ca -0.19 -1.35 -0.14 0.00 -1.38 0.00 0.00 54.79 51.73 1ub5 n ASP 175 Cb 0.53 0.56 -0.06 0.00 -1.04 0.00 0.00 41.12 41.11 1ub5 n ASP 175 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1ub5 n SER 176 N -0.39 -4.95 -5.03 1.67 7.64 -0.82 -4.97 113.62 106.77 1ub5 n SER 176 Ca 0.08 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 60.11 1ub5 n SER 176 Cb 0.43 -3.68 0.05 0.00 -1.01 0.00 0.00 64.21 60.01 1ub5 n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ub5 s THR 177 N -2.42 2.27 0.24 0.44 -4.23 -1.26 -4.59 115.64 106.09 1ub5 s THR 177 Ca 0.00 -0.99 0.12 0.00 -1.18 0.00 0.00 61.69 59.63 1ub5 s THR 177 Cb 0.00 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1ub5 s THR 177 CO 0.00 0.00 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.57 1ub5 s TYR 178 N -2.63 2.33 0.08 3.99 2.02 0.22 -0.13 117.35 123.23 1ub5 s TYR 178 Ca 0.61 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.92 1ub5 s TYR 178 Cb -0.06 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1ub5 s TYR 178 CO 0.38 0.62 0.10 -1.12 -1.57 0.00 0.00 175.55 173.97 1ub5 s SER 179 N -3.16 0.27 0.19 2.29 0.01 -1.26 -0.35 113.70 111.68 1ub5 s SER 179 Ca 0.26 -0.83 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 1ub5 s SER 179 Cb -0.06 0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1ub5 s SER 179 CO 0.13 -0.69 0.67 0.00 0.41 0.00 0.00 173.24 173.76 1ub5 s MET 180 N -3.90 1.41 0.02 12.44 0.23 -0.68 -1.42 119.30 127.40 1ub5 s MET 180 Ca 0.08 -0.63 0.03 0.00 -1.03 0.00 0.00 55.69 54.14 1ub5 s MET 180 Cb 0.06 0.58 -0.02 0.00 -1.53 0.00 0.00 34.83 33.92 1ub5 s MET 180 CO -0.09 -0.63 -0.10 -1.54 -2.03 0.00 0.00 175.02 170.62 1ub5 s SER 181 N -2.79 1.21 -0.11 -1.18 1.04 -0.17 -1.45 113.70 110.26 1ub5 s SER 181 Ca 0.05 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.17 1ub5 s SER 181 Cb -0.03 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1ub5 s SER 181 CO -0.06 0.02 -0.22 -0.44 0.98 0.00 0.00 173.24 173.51 1ub5 s SER 182 N -0.82 2.97 -0.21 7.02 0.01 -0.87 -1.62 113.70 120.19 1ub5 s SER 182 Ca 0.00 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1ub5 s SER 182 Cb -0.06 -1.36 0.06 0.00 0.21 0.00 0.00 66.02 64.86 1ub5 s SER 182 CO 0.00 0.13 -0.02 -0.89 0.41 0.00 0.00 173.24 172.87 1ub5 s THR 183 N 0.50 1.04 -0.38 1.44 2.01 0.47 -2.41 115.64 118.32 1ub5 s THR 183 Ca -0.15 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 60.79 1ub5 s THR 183 Cb -0.17 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1ub5 s THR 183 CO 0.06 -0.11 0.66 -0.22 -0.69 0.00 0.00 174.62 174.31 1ub5 s LEU 184 N 1.63 4.29 -0.18 4.42 1.98 -0.75 -1.15 118.68 128.92 1ub5 s LEU 184 Ca -0.03 0.06 -0.05 0.00 -2.89 0.00 0.00 54.13 51.22 1ub5 s LEU 184 Cb -0.18 -2.80 -0.03 0.00 0.66 0.00 0.00 46.19 43.84 1ub5 s LEU 184 CO -0.07 -0.66 0.00 -0.89 -1.89 0.00 0.00 176.35 172.85 1ub5 s THR 185 N 2.79 4.17 0.29 3.68 2.01 -0.57 -1.14 115.64 126.87 1ub5 s THR 185 Ca 0.25 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 1ub5 s THR 185 Cb -0.14 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1ub5 s THR 185 CO 0.16 0.46 0.48 -1.48 -0.69 0.00 0.00 174.62 173.56 1ub5 s LEU 186 N 0.55 0.58 0.52 4.42 0.05 -0.28 -4.81 118.68 119.71 1ub5 s LEU 186 Ca -0.01 -1.17 -0.18 0.00 0.05 0.00 0.00 54.13 52.82 1ub5 s LEU 186 Cb -0.14 1.67 -0.07 0.00 -2.05 0.00 0.00 46.19 45.60 1ub5 s LEU 186 CO 0.02 -1.22 1.03 0.42 -0.55 0.00 0.00 176.35 176.04 1ub5 s THR 187 N -3.55 3.95 0.54 5.48 -4.23 -1.26 -2.30 115.64 114.27 1ub5 s THR 187 Ca 0.26 1.09 0.22 0.00 -1.18 0.00 0.00 61.69 62.07 1ub5 s THR 187 Cb -0.01 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.68 1ub5 s THR 187 CO 0.13 -0.39 2.12 0.50 -0.54 0.00 0.00 174.62 176.45 1ub5 h LYS 188 N 1.18 0.00 -0.05 3.99 3.64 -1.43 -0.83 116.57 123.07 1ub5 h LYS 188 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1ub5 h LYS 188 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ub5 h LYS 188 CO 0.59 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.32 1ub5 h ASP 189 N 0.00 0.10 -0.19 4.20 3.32 -1.91 -0.59 116.42 121.35 1ub5 h ASP 189 Ca 0.07 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1ub5 h ASP 189 Cb 0.30 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1ub5 h ASP 189 CO -0.00 0.44 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.83 1ub5 h GLU 190 N -0.25 0.50 -0.42 3.56 4.57 -1.75 -2.75 114.58 118.05 1ub5 h GLU 190 Ca 0.01 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 1ub5 h GLU 190 Cb 0.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1ub5 h GLU 190 CO 0.00 0.57 -0.13 -0.92 -1.18 0.00 0.00 179.01 177.35 1ub5 h TYR 191 N 0.48 0.93 -0.11 0.92 3.20 -1.04 -3.29 116.97 118.06 1ub5 h TYR 191 Ca 0.10 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1ub5 h TYR 191 Cb 0.39 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ub5 h TYR 191 CO 0.01 0.95 0.05 0.93 -1.64 0.00 0.00 178.16 178.47 1ub5 h GLU 192 N 0.64 0.16 -0.04 1.82 4.39 -0.83 -2.86 114.58 117.85 1ub5 h GLU 192 Ca 0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1ub5 h GLU 192 Cb 0.67 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ub5 h GLU 192 CO 0.05 0.24 0.00 2.89 -1.16 0.00 0.00 179.01 181.03 1ub5 n ARG 193 N -4.93 0.12 -4.08 2.33 1.85 -1.06 -4.62 116.66 106.28 1ub5 n ARG 193 Ca -0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 1ub5 n ARG 193 Cb 0.10 -1.02 -0.08 0.00 -1.05 0.00 0.00 32.46 30.41 1ub5 n ARG 193 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ub5 s HIS 194 N -1.63 0.70 -0.21 2.89 3.76 -1.08 -5.10 115.29 114.62 1ub5 s HIS 194 Ca 0.00 -1.01 -0.27 0.00 -0.15 0.00 0.00 55.06 53.63 1ub5 s HIS 194 Cb 0.00 -0.19 0.09 0.00 1.11 0.00 0.00 32.58 33.59 1ub5 s HIS 194 CO 0.00 -0.77 0.80 0.54 -0.85 0.00 0.00 174.74 174.46 1ub5 s ASN 195 N -3.06 -0.63 0.00 1.40 2.20 -1.26 -4.97 114.94 108.62 1ub5 s ASN 195 Ca 0.27 1.06 0.00 0.00 -0.94 0.00 0.00 52.86 53.25 1ub5 s ASN 195 Cb 0.04 1.01 0.00 0.00 -2.00 0.00 0.00 41.25 40.30 1ub5 s ASN 195 CO 0.08 -0.33 0.00 0.61 -2.94 0.00 0.00 177.10 174.52 1ub5 n GLY 196 N 1.97 -1.22 3.69 0.45 0.00 -1.20 -4.28 105.19 104.60 1ub5 n GLY 196 Ca -0.15 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1ub5 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ub5 s TYR 197 N -0.26 3.18 -0.14 1.61 1.51 -0.70 -1.71 117.35 120.84 1ub5 s TYR 197 Ca 0.00 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1ub5 s TYR 197 Cb 0.00 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1ub5 s TYR 197 CO 0.00 0.48 -0.21 0.99 -1.11 0.00 0.00 175.55 175.70 1ub5 s THR 198 N -0.87 2.17 -0.41 -0.71 2.01 0.86 -2.14 115.64 116.55 1ub5 s THR 198 Ca 0.13 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1ub5 s THR 198 Cb -0.11 -1.87 0.08 0.00 0.01 0.00 0.00 72.50 70.61 1ub5 s THR 198 CO 0.02 0.55 0.24 0.00 -0.69 0.00 0.00 174.62 174.74 1ub5 s GLU 200 N 1.39 3.99 -0.25 0.00 2.12 0.12 -1.32 118.70 124.75 1ub5 s GLU 200 Ca 0.03 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1ub5 s GLU 200 Cb -0.23 -3.23 0.06 0.00 0.26 0.00 0.00 34.13 30.99 1ub5 s GLU 200 CO 0.01 0.27 -0.08 0.00 -0.54 0.00 0.00 175.26 174.92 1ub5 s ALA 201 N 0.38 2.32 -0.44 6.30 0.00 -0.80 0.60 121.76 130.12 1ub5 s ALA 201 Ca 0.03 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 1ub5 s ALA 201 Cb -0.12 -1.54 0.09 0.00 0.00 0.00 0.00 23.12 21.55 1ub5 s ALA 201 CO 0.00 -1.22 0.30 0.99 0.00 0.00 0.00 175.76 175.83 1ub5 s THR 202 N 1.22 4.36 0.45 0.00 2.01 -0.34 -2.21 115.64 121.12 1ub5 s THR 202 Ca -0.07 -1.46 -0.02 0.00 0.31 0.00 0.00 61.69 60.46 1ub5 s THR 202 Cb -0.19 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.70 1ub5 s THR 202 CO -0.06 -0.59 0.61 1.57 -0.69 0.00 0.00 174.62 175.47 1ub5 n HIS 203 N 4.96 -3.27 0.54 4.92 -0.00 -1.26 -3.20 115.22 117.90 1ub5 n HIS 203 Ca -0.10 -0.97 0.06 0.00 0.46 0.00 0.00 57.72 57.18 1ub5 n HIS 203 Cb 0.42 -0.45 0.01 0.00 -0.12 0.00 0.00 29.99 29.85 1ub5 n HIS 203 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1ub5 n LYS 204 N -2.17 1.66 0.07 1.57 4.76 -1.26 -4.62 118.16 118.17 1ub5 n LYS 204 Ca 0.10 -0.82 -0.08 0.00 -2.87 0.00 0.00 58.31 54.64 1ub5 n LYS 204 Cb 0.34 -1.17 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 1ub5 n LYS 204 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ub5 h THR 205 N 1.63 0.39 -1.01 -0.18 1.35 -1.94 -3.47 112.91 109.69 1ub5 h THR 205 Ca 0.00 -0.98 -0.51 0.00 -0.55 0.00 0.00 66.41 64.37 1ub5 h THR 205 Cb 0.44 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1ub5 h THR 205 CO 0.00 0.11 -0.27 -0.94 -0.25 0.00 0.00 175.52 174.17 1ub5 s SER 206 N -5.33 4.99 0.00 5.36 1.04 -1.26 -5.03 113.70 113.47 1ub5 s SER 206 Ca -0.08 -0.90 0.14 0.00 0.48 0.00 0.00 55.95 55.58 1ub5 s SER 206 Cb 0.00 -0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.22 1ub5 s SER 206 CO 0.29 -0.99 0.96 0.41 0.98 0.00 0.00 173.24 174.89 1ub5 n THR 207 N -1.83 0.08 -3.51 2.02 -1.04 -1.26 -4.76 114.28 103.98 1ub5 n THR 207 Ca 0.06 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 1ub5 n THR 207 Cb 0.62 1.22 -0.04 0.00 -1.82 0.00 0.00 70.33 70.31 1ub5 n THR 207 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ub5 s SER 208 N -1.12 6.43 -0.36 8.00 0.15 -1.26 -5.04 113.70 120.49 1ub5 s SER 208 Ca 0.17 -3.41 -0.38 0.00 0.70 0.00 0.00 55.95 53.03 1ub5 s SER 208 Cb 0.12 -2.04 -0.14 0.00 -1.71 0.00 0.00 66.02 62.24 1ub5 s SER 208 CO 0.17 -0.30 2.07 -2.65 1.20 0.00 0.00 173.24 173.73 1ub5 n PRO 209 N 2.86 0.89 -2.05 5.44 -0.02 -1.26 -4.85 135.00 136.01 1ub5 n PRO 209 Ca 0.19 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1ub5 n PRO 209 Cb 0.39 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1ub5 n PRO 209 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ub5 s ILE 210 N 6.08 3.54 -0.07 4.25 1.01 -0.94 -4.82 121.20 130.25 1ub5 s ILE 210 Ca 1.09 0.55 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1ub5 s ILE 210 Cb -1.04 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 1ub5 s ILE 210 CO 0.57 -0.45 -0.19 0.68 0.00 0.00 0.00 174.94 175.55 1ub5 s VAL 211 N 6.61 2.58 -0.05 2.92 -7.23 -1.26 -1.91 120.40 122.06 1ub5 s VAL 211 Ca 0.77 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 1ub5 s VAL 211 Cb -0.22 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1ub5 s VAL 211 CO 0.34 0.57 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.99 1ub5 s LYS 212 N -0.23 1.74 0.24 4.82 -0.14 -0.43 -5.00 119.74 120.73 1ub5 s LYS 212 Ca -0.00 -0.57 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1ub5 s LYS 212 Cb -0.13 -1.50 -0.03 0.00 -1.68 0.00 0.00 37.83 34.49 1ub5 s LYS 212 CO 0.03 0.21 0.22 -1.12 -0.76 0.00 0.00 175.35 173.93 1ub5 s SER 213 N 0.12 0.49 0.00 2.83 0.01 -1.26 -0.23 113.70 115.66 1ub5 s SER 213 Ca -0.05 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.78 1ub5 s SER 213 Cb -0.12 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1ub5 s SER 213 CO 0.02 -0.94 0.00 2.22 0.41 0.00 0.00 173.24 174.95