#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe n ASP 1 N 0.00 -6.93 -4.10 7.83 8.00 -0.05 -5.03 116.55 116.27 2uwe n ASP 1 Ca 0.00 -0.43 -0.10 0.00 0.71 0.00 0.00 54.79 54.98 2uwe n ASP 1 Cb 0.00 -4.66 -0.09 0.00 -0.02 0.00 0.00 41.12 36.35 2uwe n ASP 1 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2uwe s SER 2 N -3.14 0.24 -0.03 -2.24 1.04 -1.05 -4.98 113.70 103.53 2uwe s SER 2 Ca 0.16 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.52 2uwe s SER 2 Cb -0.03 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2uwe s SER 2 CO 0.78 -0.77 -0.18 -0.69 0.98 0.00 0.00 173.24 173.35 2uwe s VAL 3 N -4.03 1.46 -0.13 5.02 1.01 -1.26 -2.38 120.40 120.09 2uwe s VAL 3 Ca 0.22 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2uwe s VAL 3 Cb 0.06 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2uwe s VAL 3 CO 0.01 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.49 2uwe s THR 4 N -0.21 1.54 0.44 3.92 2.01 0.52 -4.73 115.64 119.13 2uwe s THR 4 Ca 0.02 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.45 2uwe s THR 4 Cb -0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2uwe s THR 4 CO 0.01 0.45 0.23 -1.10 -0.69 0.00 0.00 174.62 173.51 2uwe s GLN 5 N 1.22 2.27 0.23 4.92 -0.21 -1.26 -0.96 119.66 125.86 2uwe s GLN 5 Ca -0.01 -1.86 -0.31 0.00 0.02 0.00 0.00 55.36 53.20 2uwe s GLN 5 Cb -0.14 -2.02 -0.11 0.00 1.00 0.00 0.00 33.01 31.73 2uwe s GLN 5 CO -0.06 -0.20 1.66 0.99 -2.12 0.00 0.00 175.29 175.55 2uwe s THR 6 N -2.62 2.12 -0.24 -0.19 2.01 -1.06 -4.92 115.64 110.74 2uwe s THR 6 Ca 0.39 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 2uwe s THR 6 Cb 0.02 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2uwe s THR 6 CO 0.22 0.01 1.20 -1.61 -0.69 0.00 0.00 174.62 173.75 2uwe s GLU 7 N 0.60 4.13 4.75 4.92 8.01 -1.26 -4.48 118.70 135.36 2uwe s GLU 7 Ca 0.70 1.40 0.00 0.00 0.01 0.00 0.00 54.97 57.09 2uwe s GLU 7 Cb -0.48 -3.77 0.00 0.00 -4.31 0.00 0.00 34.13 25.57 2uwe s GLU 7 CO 0.37 -0.83 0.00 0.41 0.01 0.00 0.00 175.26 175.22 2uwe n GLY 8 N 3.79 0.79 3.30 -1.39 0.00 -1.26 -4.85 105.19 105.57 2uwe n GLY 8 Ca 0.13 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 2uwe n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uwe s LEU 9 N 0.00 2.67 -0.31 0.99 2.96 -1.26 -1.84 118.68 121.89 2uwe s LEU 9 Ca 0.00 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 2uwe s LEU 9 Cb 0.00 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2uwe s LEU 9 CO 0.00 0.07 0.19 -0.69 -1.32 0.00 0.00 176.35 174.60 2uwe s VAL 10 N 0.93 5.05 -0.20 1.68 1.01 0.73 -4.99 120.40 124.61 2uwe s VAL 10 Ca -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2uwe s VAL 10 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2uwe s VAL 10 CO -0.01 0.11 0.09 -0.89 0.00 0.00 0.00 175.10 174.41 2uwe s THR 11 N 1.70 4.99 -0.06 3.92 2.01 -1.26 -0.36 115.64 126.58 2uwe s THR 11 Ca 0.06 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2uwe s THR 11 Cb -0.17 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.10 2uwe s THR 11 CO 0.09 0.43 0.15 -0.22 -0.69 0.00 0.00 174.62 174.38 2uwe s LEU 12 N 0.56 1.02 0.29 4.42 2.96 -0.12 -4.98 118.68 122.82 2uwe s LEU 12 Ca 0.05 0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 2uwe s LEU 12 Cb -0.12 0.44 -0.09 0.00 0.50 0.00 0.00 46.19 46.91 2uwe s LEU 12 CO 0.01 -0.11 1.09 -0.89 -1.32 0.00 0.00 176.35 175.12 2uwe s THR 13 N 0.71 3.54 0.29 3.68 2.01 -1.26 0.26 115.64 124.86 2uwe s THR 13 Ca -0.05 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 2uwe s THR 13 Cb -0.07 -3.96 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 2uwe s THR 13 CO -0.04 0.34 1.47 -1.84 -0.69 0.00 0.00 174.62 173.86 2uwe n GLU 14 N 1.12 2.36 0.00 4.92 0.28 -0.11 -2.44 120.64 126.78 2uwe n GLU 14 Ca -0.01 0.84 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 2uwe n GLU 14 Cb 0.45 -2.54 0.00 0.00 1.43 0.00 0.00 31.44 30.78 2uwe n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2uwe n GLY 15 N 1.77 2.95 3.91 -1.84 0.00 -0.24 -4.80 105.19 106.95 2uwe n GLY 15 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2uwe n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uwe s LEU 16 N 0.00 4.03 0.35 0.99 1.43 -1.02 -4.37 118.68 120.09 2uwe s LEU 16 Ca 0.00 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 2uwe s LEU 16 Cb 0.00 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 2uwe s LEU 16 CO 0.00 -0.23 1.24 -2.84 0.23 0.00 0.00 176.35 174.76 2uwe s PRO 17 N -3.71 4.27 0.05 1.29 0.02 -1.20 -0.76 135.00 134.96 2uwe s PRO 17 Ca 0.43 2.06 -0.20 0.00 0.02 0.00 0.00 61.00 63.32 2uwe s PRO 17 Cb -0.11 -2.95 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 2uwe s PRO 17 CO 0.31 -0.21 0.58 0.08 -0.33 0.00 0.00 177.00 177.44 2uwe s VAL 18 N -1.22 4.79 -0.34 3.83 1.01 -0.06 -4.90 120.40 123.50 2uwe s VAL 18 Ca 0.51 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.75 2uwe s VAL 18 Cb -0.36 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.26 2uwe s VAL 18 CO 0.47 0.51 0.38 -0.32 0.00 0.00 0.00 175.10 176.15 2uwe s MET 19 N -0.81 0.55 -0.23 2.72 1.75 -1.24 -2.80 119.30 119.23 2uwe s MET 19 Ca 0.30 -0.50 -0.06 0.00 -1.25 0.00 0.00 55.69 54.18 2uwe s MET 19 Cb -0.19 -0.58 -0.02 0.00 2.84 0.00 0.00 34.83 36.88 2uwe s MET 19 CO 0.18 -1.13 0.02 -0.51 -0.65 0.00 0.00 175.02 172.93 2uwe s LEU 20 N 1.84 3.22 0.30 4.11 1.43 -0.33 -4.96 118.68 124.30 2uwe s LEU 20 Ca 0.14 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 2uwe s LEU 20 Cb -0.14 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.15 2uwe s LEU 20 CO -0.14 -0.01 0.95 0.20 0.23 0.00 0.00 176.35 177.58 2uwe s ASN 21 N 1.42 7.41 -0.12 2.29 0.01 -1.26 -0.37 114.94 124.31 2uwe s ASN 21 Ca 0.05 1.89 -0.04 0.00 -0.71 0.00 0.00 52.86 54.05 2uwe s ASN 21 Cb -0.15 -2.59 0.06 0.00 0.41 0.00 0.00 41.25 38.98 2uwe s ASN 21 CO 0.01 -0.02 0.24 0.00 -1.51 0.00 0.00 177.10 175.82 2uwe s THR 23 N 2.31 2.03 0.23 0.00 -4.23 -0.13 -1.08 115.64 114.76 2uwe s THR 23 Ca 0.01 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 2uwe s THR 23 Cb -0.12 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 2uwe s THR 23 CO -0.08 -0.41 0.24 -0.72 -0.54 0.00 0.00 174.62 173.11 2uwe s TYR 24 N -2.45 0.99 -0.14 3.99 -0.85 -1.07 -0.35 117.35 117.47 2uwe s TYR 24 Ca 0.22 -1.23 -0.01 0.00 -0.52 0.00 0.00 57.07 55.54 2uwe s TYR 24 Cb -0.04 -0.36 0.04 0.00 0.38 0.00 0.00 41.96 41.98 2uwe s TYR 24 CO 0.09 -0.77 -0.04 -0.65 -1.52 0.00 0.00 175.55 172.67 2uwe s GLN 25 N -4.03 1.21 -0.09 -3.49 -0.21 -1.00 -4.85 119.66 107.20 2uwe s GLN 25 Ca 0.34 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.41 2uwe s GLN 25 Cb 0.04 -1.75 0.01 0.00 1.00 0.00 0.00 33.01 32.32 2uwe s GLN 25 CO 0.13 -0.40 -0.15 0.45 -2.12 0.00 0.00 175.29 173.19 2uwe s SER 26 N 1.74 2.25 0.11 5.90 0.15 -1.26 -0.87 113.70 121.72 2uwe s SER 26 Ca 0.02 -0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 2uwe s SER 26 Cb -0.14 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2uwe s SER 26 CO -0.07 0.05 1.58 0.74 1.20 0.00 0.00 173.24 176.74 2uwe h THR 27 N 5.92 1.24 -0.95 6.45 2.02 -2.00 -3.46 112.91 122.14 2uwe h THR 27 Ca -0.29 -0.87 -0.62 0.00 0.77 0.00 0.00 66.41 65.40 2uwe h THR 27 Cb 1.19 1.12 -0.10 0.00 -1.74 0.00 0.00 68.15 68.62 2uwe h THR 27 CO 0.48 0.29 -0.48 -0.31 0.37 0.00 0.00 175.52 175.87 2uwe s TYR 28 N -5.14 2.13 -0.11 3.16 1.51 -1.26 -5.06 117.35 112.57 2uwe s TYR 28 Ca -0.13 -0.78 -0.39 0.00 -1.01 0.00 0.00 57.07 54.75 2uwe s TYR 28 Cb 0.09 -1.80 -0.17 0.00 -0.11 0.00 0.00 41.96 39.97 2uwe s TYR 28 CO 0.77 0.10 1.47 0.45 -1.11 0.00 0.00 175.55 177.23 2uwe n SER 29 N -1.32 1.64 -4.81 2.29 2.88 -1.26 -4.88 113.62 108.16 2uwe n SER 29 Ca -0.08 1.12 -0.37 0.00 -1.33 0.00 0.00 58.87 58.21 2uwe n SER 29 Cb 0.66 -1.10 -0.06 0.00 -0.75 0.00 0.00 64.21 62.95 2uwe n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2uwe s PRO 30 N 1.75 4.26 -0.15 -1.46 0.04 -1.26 -5.04 135.00 133.13 2uwe s PRO 30 Ca 0.92 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2uwe s PRO 30 Cb -1.09 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 30.49 2uwe s PRO 30 CO 0.58 0.47 -0.02 -0.06 0.04 0.00 0.00 177.00 178.01 2uwe s PHE 31 N -1.40 1.32 0.21 0.56 0.40 -1.26 -5.05 117.98 112.76 2uwe s PHE 31 Ca 0.39 -0.82 0.11 0.00 -0.60 0.00 0.00 56.93 56.01 2uwe s PHE 31 Cb -0.18 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 2uwe s PHE 31 CO 0.21 -0.55 -0.21 -0.51 0.70 0.00 0.00 175.22 174.86 2uwe s LEU 32 N 1.76 2.55 0.01 -0.37 1.02 -1.26 -1.11 118.68 121.28 2uwe s LEU 32 Ca 0.01 -0.86 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 2uwe s LEU 32 Cb -0.15 -1.23 -0.01 0.00 0.02 0.00 0.00 46.19 44.81 2uwe s LEU 32 CO -0.07 0.10 0.00 -0.36 0.02 0.00 0.00 176.35 176.04 2uwe s PHE 33 N -1.85 0.20 -0.16 0.29 0.40 0.89 -1.21 117.98 116.55 2uwe s PHE 33 Ca 0.23 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2uwe s PHE 33 Cb -0.07 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 2uwe s PHE 33 CO 0.12 -0.19 -0.04 -1.58 0.70 0.00 0.00 175.22 174.22 2uwe s TRP 34 N -1.33 3.01 0.03 0.36 0.52 -0.90 0.62 118.94 121.24 2uwe s TRP 34 Ca -0.15 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.69 2uwe s TRP 34 Cb -0.09 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2uwe s TRP 34 CO -0.01 -0.07 -0.16 0.71 0.02 0.00 0.00 176.95 177.45 2uwe s TYR 35 N 0.42 2.62 -0.05 -1.98 1.51 0.20 -0.34 117.35 119.74 2uwe s TYR 35 Ca -0.04 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2uwe s TYR 35 Cb -0.14 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2uwe s TYR 35 CO 0.03 0.27 -0.22 0.54 -1.11 0.00 0.00 175.55 175.06 2uwe s VAL 36 N -0.93 1.79 -0.19 0.71 0.11 -0.15 0.56 120.40 122.30 2uwe s VAL 36 Ca 0.15 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 2uwe s VAL 36 Cb -0.11 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.27 2uwe s VAL 36 CO 0.06 0.50 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.67 2uwe s GLN 37 N -0.15 1.75 0.71 1.54 0.74 0.46 -1.11 119.66 123.61 2uwe s GLN 37 Ca -0.02 -0.74 -0.09 0.00 0.05 0.00 0.00 55.36 54.56 2uwe s GLN 37 Cb -0.12 -2.29 0.04 0.00 1.10 0.00 0.00 33.01 31.73 2uwe s GLN 37 CO 0.02 -0.45 1.05 -1.01 -0.55 0.00 0.00 175.29 174.35 2uwe s HIS 38 N 1.48 3.11 0.30 1.67 3.76 -1.26 -0.78 115.29 123.57 2uwe s HIS 38 Ca -0.01 0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 55.33 2uwe s HIS 38 Cb -0.16 -3.14 -0.10 0.00 1.11 0.00 0.00 32.58 30.29 2uwe s HIS 38 CO -0.08 -1.31 1.22 -1.17 -0.85 0.00 0.00 174.74 172.55 2uwe s LEU 39 N -5.30 4.48 -1.30 0.89 2.96 -1.26 -2.79 118.68 116.35 2uwe s LEU 39 Ca 0.59 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.99 2uwe s LEU 39 Cb -0.11 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2uwe s LEU 39 CO 0.48 -0.37 0.00 0.59 -1.32 0.00 0.00 176.35 175.73 2uwe n ASN 40 N 1.13 -4.42 -4.09 3.68 3.02 -1.26 -5.00 115.26 108.33 2uwe n ASN 40 Ca 0.00 0.17 -0.09 0.00 -0.03 0.00 0.00 54.58 54.64 2uwe n ASN 40 Cb 0.43 -3.33 -0.10 0.00 -0.61 0.00 0.00 39.78 36.17 2uwe n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2uwe s GLU 41 N -3.85 0.84 0.22 3.52 2.02 -1.12 -5.16 118.70 115.16 2uwe s GLU 41 Ca 0.00 -1.31 -0.16 0.00 0.02 0.00 0.00 54.97 53.53 2uwe s GLU 41 Cb 0.00 0.25 -0.08 0.00 0.10 0.00 0.00 34.13 34.40 2uwe s GLU 41 CO 0.00 -0.23 0.65 0.00 0.02 0.00 0.00 175.26 175.70 2uwe s ALA 42 N -3.98 3.46 0.44 5.21 0.00 -1.26 -4.68 121.76 120.95 2uwe s ALA 42 Ca 0.16 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 2uwe s ALA 42 Cb 0.07 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 2uwe s ALA 42 CO -0.03 0.39 1.45 -2.14 0.00 0.00 0.00 175.76 175.43 2uwe s PRO 43 N -2.29 3.76 0.04 0.00 0.02 -1.26 -4.62 135.00 130.65 2uwe s PRO 43 Ca 0.44 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 63.93 2uwe s PRO 43 Cb -0.14 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 2uwe s PRO 43 CO 0.20 -0.78 -0.03 -1.59 -0.33 0.00 0.00 177.00 174.47 2uwe s LYS 44 N -2.39 0.54 0.18 5.54 -2.85 -0.26 -4.96 119.74 115.54 2uwe s LYS 44 Ca 0.59 -1.06 -0.31 0.00 -1.00 0.00 0.00 55.97 54.20 2uwe s LYS 44 Cb -0.45 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.38 2uwe s LYS 44 CO 0.58 -0.09 1.49 -1.17 0.10 0.00 0.00 175.35 176.26 2uwe s LEU 45 N -2.52 4.38 -0.20 2.77 0.20 -1.26 -0.98 118.68 121.07 2uwe s LEU 45 Ca 0.01 2.56 -0.17 0.00 0.69 0.00 0.00 54.13 57.22 2uwe s LEU 45 Cb 0.03 -3.60 -0.07 0.00 -0.43 0.00 0.00 46.19 42.12 2uwe s LEU 45 CO -0.07 -0.75 -0.34 -0.11 -0.29 0.00 0.00 176.35 174.79 2uwe n LEU 46 N 3.48 1.91 -3.89 -0.68 7.94 0.54 -4.85 117.00 121.46 2uwe n LEU 46 Ca 0.11 0.33 -0.09 0.00 -1.11 0.00 0.00 56.01 55.24 2uwe n LEU 46 Cb 0.40 -0.74 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 2uwe n LEU 46 CO 0.60 -0.08 0.15 -1.48 -1.11 0.00 0.00 177.39 175.47 2uwe s LEU 47 N -7.78 0.44 0.26 -1.96 0.05 -1.11 -5.01 118.68 103.57 2uwe s LEU 47 Ca -0.30 -0.75 0.12 0.00 0.05 0.00 0.00 54.13 53.24 2uwe s LEU 47 Cb 0.06 1.72 -0.05 0.00 -2.05 0.00 0.00 46.19 45.88 2uwe s LEU 47 CO 0.43 -1.03 -0.18 -0.54 -0.55 0.00 0.00 176.35 174.48 2uwe s LYS 48 N -3.95 1.74 0.00 1.48 1.02 -1.26 -2.12 119.74 116.65 2uwe s LYS 48 Ca 0.16 -1.67 0.29 0.00 0.02 0.00 0.00 55.97 54.76 2uwe s LYS 48 Cb 0.00 -1.84 1.21 0.00 -0.52 0.00 0.00 37.83 36.69 2uwe s LYS 48 CO 0.02 0.35 1.88 -1.13 -0.92 0.00 0.00 175.35 175.55 2uwe n SER 49 N -0.49 0.17 -4.48 2.83 3.41 -0.35 -4.90 113.62 109.81 2uwe n SER 49 Ca -0.07 0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.27 2uwe n SER 49 Cb 0.59 -0.26 0.26 0.00 -0.26 0.00 0.00 64.21 64.54 2uwe n SER 49 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2uwe s PHE 50 N -2.78 1.28 0.68 7.33 0.40 -1.26 -4.80 117.98 118.84 2uwe s PHE 50 Ca 0.20 1.21 -0.08 0.00 -0.60 0.00 0.00 56.93 57.66 2uwe s PHE 50 Cb 0.19 -3.09 0.13 0.00 0.51 0.00 0.00 43.02 40.76 2uwe s PHE 50 CO 0.52 -3.96 0.29 0.25 0.70 0.00 0.00 175.22 173.02 2uwe n THR 51 N -4.99 0.00 0.00 0.64 -2.24 -1.26 -4.84 114.28 101.59 2uwe n THR 51 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2uwe n THR 51 Cb 0.54 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2uwe n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2uwe n ASP 52 N -1.28 0.00 -2.21 3.42 8.00 -1.26 -5.05 116.55 118.17 2uwe n ASP 52 Ca 0.05 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 2uwe n ASP 52 Cb 0.20 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.40 2uwe n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2uwe n ASN 53 N 7.50 6.45 0.00 -2.24 5.15 -1.26 -4.89 115.26 125.96 2uwe n ASN 53 Ca 0.00 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.22 2uwe n ASN 53 Cb 0.00 -0.85 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 2uwe n ASN 53 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2uwe n LYS 54 N -0.94 0.00 0.00 1.20 2.85 -1.26 -4.98 118.16 115.03 2uwe n LYS 54 Ca 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 2uwe n LYS 54 Cb 0.88 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.26 2uwe n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2uwe n ARG 55 N 0.00 -0.49 0.00 -1.58 1.74 -1.26 -0.79 116.66 114.28 2uwe n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2uwe n ARG 55 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2uwe n ARG 55 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2uwe n PRO 56 N -1.23 0.00 0.00 5.56 -0.04 -1.18 -4.56 135.00 133.55 2uwe n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2uwe n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2uwe n PRO 56 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2uwe n GLU 57 N 0.00 0.00 0.00 0.54 0.00 -1.26 -4.96 120.64 114.95 2uwe n GLU 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2uwe n GLU 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2uwe n GLU 57 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2uwe n HIS 58 N 0.00 0.00 -0.04 -1.84 8.25 -1.26 -5.00 115.22 115.33 2uwe n HIS 58 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2uwe n HIS 58 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2uwe n HIS 58 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2uwe n GLN 59 N 0.00 0.16 0.00 -0.41 1.13 -1.26 -5.05 117.38 111.95 2uwe n GLN 59 Ca 0.00 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2uwe n GLN 59 Cb 0.00 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 29.44 2uwe n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uwe n GLY 61 N 2.78 0.65 3.73 1.08 0.00 -1.26 -4.63 105.19 107.54 2uwe n GLY 61 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2uwe n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uwe s PHE 62 N 3.30 3.55 0.04 1.61 0.08 -1.26 -4.50 117.98 120.80 2uwe s PHE 62 Ca 0.00 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 58.55 2uwe s PHE 62 Cb 0.00 -3.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.11 2uwe s PHE 62 CO 0.00 -0.76 -0.03 -3.38 -0.10 0.00 0.00 175.22 170.95 2uwe s HIS 63 N 0.31 0.45 -0.12 0.36 -3.43 -0.07 -4.60 115.29 108.18 2uwe s HIS 63 Ca 0.53 -0.92 -0.08 0.00 -0.80 0.00 0.00 55.06 53.79 2uwe s HIS 63 Cb -0.29 -0.33 0.04 0.00 -1.43 0.00 0.00 32.58 30.58 2uwe s HIS 63 CO 0.32 -0.33 0.30 0.00 -2.00 0.00 0.00 174.74 173.03 2uwe s ALA 64 N -3.27 -0.71 -0.17 -1.38 0.00 -1.26 -0.15 121.76 114.81 2uwe s ALA 64 Ca 0.01 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 2uwe s ALA 64 Cb 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2uwe s ALA 64 CO -0.08 -0.20 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 2uwe s THR 65 N 0.97 3.47 -0.20 0.00 2.01 -1.26 -3.12 115.64 117.50 2uwe s THR 65 Ca -0.07 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 2uwe s THR 65 Cb -0.08 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2uwe s THR 65 CO -0.07 0.48 1.00 -0.22 -0.69 0.00 0.00 174.62 175.12 2uwe s LEU 66 N 0.77 4.13 -0.41 4.42 2.96 0.03 -4.36 118.68 126.22 2uwe s LEU 66 Ca -0.03 1.37 -0.04 0.00 -0.22 0.00 0.00 54.13 55.21 2uwe s LEU 66 Cb -0.15 -3.49 0.11 0.00 0.50 0.00 0.00 46.19 43.16 2uwe s LEU 66 CO 0.02 -0.60 0.21 -1.00 -1.32 0.00 0.00 176.35 173.66 2uwe s HIS 67 N 2.88 3.56 0.30 5.38 3.76 -0.40 -4.55 115.29 126.23 2uwe s HIS 67 Ca 0.44 -2.34 0.07 0.00 -0.15 0.00 0.00 55.06 53.08 2uwe s HIS 67 Cb -0.16 -3.22 0.47 0.00 1.11 0.00 0.00 32.58 30.78 2uwe s HIS 67 CO 0.09 -0.97 1.70 0.87 -0.85 0.00 0.00 174.74 175.58 2uwe h LYS 68 N 8.09 0.21 -0.61 1.40 1.57 -1.95 0.81 116.57 126.08 2uwe h LYS 68 Ca -0.14 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2uwe h LYS 68 Cb 1.05 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2uwe h LYS 68 CO 0.71 0.60 0.37 0.66 -0.57 0.00 0.00 179.45 181.22 2uwe h SER 69 N 0.18 0.59 -0.24 0.86 4.64 -1.97 -2.80 113.55 114.81 2uwe h SER 69 Ca 0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2uwe h SER 69 Cb 0.82 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2uwe h SER 69 CO 0.06 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.89 2uwe n SER 70 N -4.75 2.96 -3.43 4.97 3.41 -1.20 -5.00 113.62 110.58 2uwe n SER 70 Ca 0.06 -1.87 -0.21 0.00 -0.26 0.00 0.00 58.87 56.59 2uwe n SER 70 Cb 0.10 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2uwe n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2uwe n SER 71 N 1.13 -5.39 -4.37 4.04 7.64 -0.21 -4.86 113.62 111.60 2uwe n SER 71 Ca 0.14 -0.80 -0.30 0.00 1.01 0.00 0.00 58.87 58.92 2uwe n SER 71 Cb 0.50 -4.57 -0.14 0.00 -1.01 0.00 0.00 64.21 58.99 2uwe n SER 71 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2uwe s SER 72 N -3.58 3.32 -0.42 6.43 0.01 0.11 -2.59 113.70 116.98 2uwe s SER 72 Ca 0.39 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.19 2uwe s SER 72 Cb -0.08 -0.38 0.32 0.00 0.21 0.00 0.00 66.02 66.09 2uwe s SER 72 CO 0.78 0.27 0.90 0.33 0.41 0.00 0.00 173.24 175.93 2uwe n PHE 73 N 1.79 -1.54 -2.58 2.43 7.35 -0.24 -1.27 117.46 123.40 2uwe n PHE 73 Ca -0.17 -2.86 -0.40 0.00 -0.76 0.00 0.00 57.45 53.26 2uwe n PHE 73 Cb 0.52 0.68 -0.05 0.00 0.35 0.00 0.00 39.48 40.98 2uwe n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2uwe s HIS 74 N -0.86 3.74 -0.06 -5.13 3.76 -1.26 -4.30 115.29 111.18 2uwe s HIS 74 Ca 0.31 1.78 -0.24 0.00 -0.15 0.00 0.00 55.06 56.76 2uwe s HIS 74 Cb 0.30 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.79 2uwe s HIS 74 CO -0.08 -0.16 0.75 -1.17 -0.85 0.00 0.00 174.74 173.22 2uwe s LEU 75 N -1.32 4.32 0.16 0.89 2.96 0.50 -4.16 118.68 122.03 2uwe s LEU 75 Ca 0.43 1.26 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 2uwe s LEU 75 Cb -0.30 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2uwe s LEU 75 CO 0.37 -0.15 -0.13 -1.10 -1.32 0.00 0.00 176.35 174.02 2uwe s GLN 76 N 0.89 1.16 -0.28 1.98 -0.21 0.78 -1.18 119.66 122.81 2uwe s GLN 76 Ca 0.40 -1.44 -0.21 0.00 0.02 0.00 0.00 55.36 54.13 2uwe s GLN 76 Cb -0.18 -0.94 0.10 0.00 1.00 0.00 0.00 33.01 32.99 2uwe s GLN 76 CO 0.19 0.16 0.86 0.21 -2.12 0.00 0.00 175.29 174.59 2uwe s LYS 77 N -3.33 0.61 0.09 2.91 2.47 -1.12 -0.90 119.74 120.48 2uwe s LYS 77 Ca 0.16 0.87 -0.19 0.00 -1.56 0.00 0.00 55.97 55.26 2uwe s LYS 77 Cb -0.01 0.22 -0.07 0.00 -1.46 0.00 0.00 37.83 36.51 2uwe s LYS 77 CO 0.04 -0.10 1.58 0.77 0.16 0.00 0.00 175.35 177.81 2uwe h SER 78 N 5.50 0.39 -3.15 1.43 0.02 -1.82 -0.14 113.55 115.79 2uwe h SER 78 Ca -0.29 -0.24 -0.47 0.00 -0.84 0.00 0.00 61.79 59.96 2uwe h SER 78 Cb 1.19 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 2uwe h SER 78 CO 0.13 0.53 -0.75 -0.55 -1.14 0.00 0.00 176.83 175.04 2uwe s SER 79 N -5.81 2.35 0.35 3.07 0.15 -1.26 -3.20 113.70 109.35 2uwe s SER 79 Ca -0.14 -0.58 -0.28 0.00 0.70 0.00 0.00 55.95 55.66 2uwe s SER 79 Cb 0.08 -0.34 -0.09 0.00 -1.71 0.00 0.00 66.02 63.95 2uwe s SER 79 CO 0.73 -0.32 1.24 0.00 1.20 0.00 0.00 173.24 176.09 2uwe s ALA 80 N 2.06 3.36 0.19 5.45 0.00 0.06 -4.76 121.76 128.11 2uwe s ALA 80 Ca 0.02 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.20 2uwe s ALA 80 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2uwe s ALA 80 CO -0.08 -0.57 -0.15 -0.65 0.00 0.00 0.00 175.76 174.31 2uwe s GLN 81 N -1.93 1.84 0.57 0.00 -0.21 -1.26 -1.08 119.66 117.59 2uwe s GLN 81 Ca 0.51 -1.38 0.34 0.00 0.02 0.00 0.00 55.36 54.85 2uwe s GLN 81 Cb -0.36 -2.03 1.70 0.00 1.00 0.00 0.00 33.01 33.32 2uwe s GLN 81 CO 0.47 0.42 2.14 -0.07 -2.12 0.00 0.00 175.29 176.12 2uwe h LEU 82 N 3.01 0.00 -0.81 2.90 3.38 -1.95 -0.92 115.31 120.92 2uwe h LEU 82 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2uwe h LEU 82 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2uwe h LEU 82 CO 0.52 0.06 -0.03 0.77 0.09 0.00 0.00 178.44 179.85 2uwe h SER 83 N 0.00 0.00 0.17 -0.43 4.64 -1.95 -3.15 113.55 112.83 2uwe h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uwe h SER 83 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2uwe h SER 83 CO 0.01 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.46 2uwe n ASP 84 N -3.12 0.00 -4.58 4.97 8.00 -0.35 -4.76 116.55 116.72 2uwe n ASP 84 Ca 0.02 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.69 2uwe n ASP 84 Cb 0.41 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 2uwe n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2uwe s SER 85 N -2.24 5.65 0.30 -2.24 0.01 -1.19 -4.87 113.70 109.10 2uwe s SER 85 Ca 0.29 0.91 -0.20 0.00 1.31 0.00 0.00 55.95 58.26 2uwe s SER 85 Cb 0.15 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.90 2uwe s SER 85 CO 0.29 -1.97 0.79 0.00 0.41 0.00 0.00 173.24 172.76 2uwe s ALA 86 N 7.76 -1.12 -0.02 1.44 0.00 -1.02 -4.70 121.76 124.09 2uwe s ALA 86 Ca 0.74 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 2uwe s ALA 86 Cb -0.18 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 2uwe s ALA 86 CO 0.29 -1.02 0.50 -1.17 0.00 0.00 0.00 175.76 174.36 2uwe s LEU 87 N -3.01 4.41 -0.14 0.00 2.96 0.04 -0.47 118.68 122.48 2uwe s LEU 87 Ca 0.13 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 2uwe s LEU 87 Cb -0.05 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2uwe s LEU 87 CO 0.08 0.16 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.78 2uwe s TYR 88 N -0.34 2.41 -0.16 5.38 1.51 -0.04 -0.40 117.35 125.72 2uwe s TYR 88 Ca 0.27 -1.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.02 2uwe s TYR 88 Cb -0.17 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 2uwe s TYR 88 CO 0.14 -0.62 0.01 0.71 -1.11 0.00 0.00 175.55 174.68 2uwe s TYR 89 N 1.06 3.14 -0.10 2.71 1.51 0.19 -0.88 117.35 124.98 2uwe s TYR 89 Ca -0.03 -0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 2uwe s TYR 89 Cb -0.14 -1.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2uwe s TYR 89 CO -0.05 0.10 0.25 0.00 -1.11 0.00 0.00 175.55 174.74 2uwe s ALA 91 N -0.61 0.79 -0.20 0.00 0.00 0.20 -0.52 121.76 121.42 2uwe s ALA 91 Ca 0.17 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2uwe s ALA 91 Cb -0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2uwe s ALA 91 CO 0.06 0.12 0.02 -1.17 0.00 0.00 0.00 175.76 174.79 2uwe s LEU 92 N 0.24 3.39 -0.35 0.00 2.96 -0.06 -0.08 118.68 124.79 2uwe s LEU 92 Ca -0.04 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 2uwe s LEU 92 Cb -0.09 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2uwe s LEU 92 CO 0.00 0.07 0.44 0.12 -1.32 0.00 0.00 176.35 175.67 2uwe s PHE 93 N 0.95 3.19 -0.30 5.38 5.36 -0.27 -0.19 117.98 132.10 2uwe s PHE 93 Ca 0.02 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 55.99 2uwe s PHE 93 Cb -0.14 -2.81 0.02 0.00 -0.34 0.00 0.00 43.02 39.74 2uwe s PHE 93 CO 0.02 -0.50 0.08 -0.51 -1.46 0.00 0.00 175.22 172.85 2uwe s LEU 96 N 2.22 3.92 0.00 6.12 1.43 -0.47 -4.41 118.68 127.49 2uwe s LEU 96 Ca 0.15 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2uwe s LEU 96 Cb -0.16 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2uwe s LEU 96 CO 0.13 -0.22 0.18 0.00 0.23 0.00 0.00 176.35 176.66 2uwe n ALA 97 N 4.84 0.75 0.01 4.21 0.00 -1.25 -2.25 120.51 126.82 2uwe n ALA 97 Ca -0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2uwe n ALA 97 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 2uwe n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2uwe h SER 98 N 0.00 -0.10 -0.00 0.00 0.02 -1.96 -3.40 113.55 108.10 2uwe h SER 98 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2uwe h SER 98 Cb 0.88 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2uwe h SER 98 CO 0.00 0.55 -0.39 -0.24 -1.14 0.00 0.00 176.83 175.61 2uwe n SER 99 N -4.82 0.63 -4.07 3.07 2.88 -1.26 -5.03 113.62 105.03 2uwe n SER 99 Ca -0.07 -0.82 -0.07 0.00 -1.33 0.00 0.00 58.87 56.58 2uwe n SER 99 Cb 0.28 0.87 -0.10 0.00 -0.75 0.00 0.00 64.21 64.51 2uwe n SER 99 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2uwe s SER 100 N -1.76 0.44 0.09 -3.46 1.04 -1.26 -5.12 113.70 103.67 2uwe s SER 100 Ca 0.05 -0.91 -0.36 0.00 0.48 0.00 0.00 55.95 55.21 2uwe s SER 100 Cb 0.07 0.18 -0.16 0.00 0.10 0.00 0.00 66.02 66.22 2uwe s SER 100 CO 0.35 -0.55 1.45 0.33 0.98 0.00 0.00 173.24 175.80 2uwe n PHE 101 N 0.36 1.80 -1.68 5.02 7.35 -1.26 -3.96 117.46 125.09 2uwe n PHE 101 Ca -0.16 0.50 -0.62 0.00 -0.76 0.00 0.00 57.45 56.41 2uwe n PHE 101 Cb 0.60 -2.41 -0.08 0.00 0.35 0.00 0.00 39.48 37.93 2uwe n PHE 101 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2uwe n SER 102 N 3.01 1.45 -3.72 -2.13 7.64 -1.26 -4.79 113.62 113.83 2uwe n SER 102 Ca 0.18 1.14 -0.14 0.00 1.01 0.00 0.00 58.87 61.07 2uwe n SER 102 Cb 0.22 -1.00 -0.09 0.00 -1.01 0.00 0.00 64.21 62.33 2uwe n SER 102 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2uwe s LYS 103 N 2.46 0.64 -0.01 1.43 -2.85 -0.95 -5.02 119.74 115.45 2uwe s LYS 103 Ca 0.99 0.16 -0.22 0.00 -1.00 0.00 0.00 55.97 55.90 2uwe s LYS 103 Cb -1.27 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 34.75 2uwe s LYS 103 CO 0.69 -0.15 0.64 -0.51 0.10 0.00 0.00 175.35 176.12 2uwe s LEU 104 N -0.71 4.41 -0.41 2.77 1.43 -1.26 -1.36 118.68 123.54 2uwe s LEU 104 Ca -0.08 1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.16 2uwe s LEU 104 Cb -0.04 -2.99 0.09 0.00 0.03 0.00 0.00 46.19 43.28 2uwe s LEU 104 CO 0.04 0.06 0.22 -0.69 0.23 0.00 0.00 176.35 176.20 2uwe s VAL 105 N -0.02 3.83 0.41 -1.59 1.01 0.74 -4.94 120.40 119.84 2uwe s VAL 105 Ca 0.33 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.51 2uwe s VAL 105 Cb -0.18 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2uwe s VAL 105 CO 0.18 -0.54 0.90 -0.36 0.00 0.00 0.00 175.10 175.28 2uwe s PHE 106 N 1.32 3.34 0.47 5.22 0.08 -1.26 -0.88 117.98 126.26 2uwe s PHE 106 Ca 0.04 1.49 -0.05 0.00 0.12 0.00 0.00 56.93 58.53 2uwe s PHE 106 Cb -0.23 -2.76 0.10 0.00 -0.57 0.00 0.00 43.02 39.56 2uwe s PHE 106 CO -0.00 -0.07 0.64 0.41 -0.10 0.00 0.00 175.22 176.09 2uwe n GLY 107 N -0.64 -0.39 0.26 4.36 0.00 0.32 -4.82 105.19 104.29 2uwe n GLY 107 Ca 0.06 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.36 2uwe n GLY 107 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2uwe h GLN 108 N 0.00 0.00 0.00 1.61 1.08 -1.89 -3.45 115.11 112.45 2uwe h GLN 108 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2uwe h GLN 108 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2uwe h GLN 108 CO 0.18 0.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.56 2uwe n GLY 109 N -0.97 0.19 3.09 3.46 0.00 -1.26 -5.03 105.19 104.68 2uwe n GLY 109 Ca -0.02 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2uwe n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwe s THR 110 N -2.29 1.81 -0.10 2.61 2.01 -0.06 -4.55 115.64 115.07 2uwe s THR 110 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2uwe s THR 110 Cb 0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2uwe s THR 110 CO 0.00 0.50 1.10 -0.44 -0.69 0.00 0.00 174.62 175.09 2uwe s SER 111 N 1.18 7.14 -0.19 3.53 0.01 -0.77 -0.86 113.70 123.74 2uwe s SER 111 Ca 0.00 1.64 -0.07 0.00 1.31 0.00 0.00 55.95 58.82 2uwe s SER 111 Cb -0.14 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2uwe s SER 111 CO -0.08 -0.54 0.06 -0.22 0.41 0.00 0.00 173.24 172.87 2uwe s LEU 112 N 2.28 3.72 -0.31 2.44 2.96 0.38 -0.19 118.68 129.96 2uwe s LEU 112 Ca 0.51 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2uwe s LEU 112 Cb -0.21 -1.95 0.09 0.00 0.50 0.00 0.00 46.19 44.63 2uwe s LEU 112 CO 0.18 0.14 0.03 -0.55 -1.32 0.00 0.00 176.35 174.83 2uwe s SER 113 N 0.59 4.51 -0.17 3.68 0.15 0.52 -2.44 113.70 120.53 2uwe s SER 113 Ca 0.03 -1.88 -0.24 0.00 0.70 0.00 0.00 55.95 54.57 2uwe s SER 113 Cb -0.13 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2uwe s SER 113 CO 0.01 -0.35 0.76 -0.69 1.20 0.00 0.00 173.24 174.18 2uwe s VAL 114 N 1.10 4.93 0.05 4.45 1.01 -1.26 -0.95 120.40 129.73 2uwe s VAL 114 Ca 0.07 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.57 2uwe s VAL 114 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2uwe s VAL 114 CO -0.10 0.06 -0.03 0.68 0.00 0.00 0.00 175.10 175.71 2uwe s VAL 115 N 2.01 3.88 0.44 2.92 -7.23 0.14 -4.79 120.40 117.78 2uwe s VAL 115 Ca 0.35 -0.87 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 2uwe s VAL 115 Cb -0.16 -2.78 -0.09 0.00 0.56 0.00 0.00 36.38 33.91 2uwe s VAL 115 CO 0.12 0.25 1.05 -2.16 -0.31 0.00 0.00 175.10 174.05 2uwe s PRO 116 N -1.89 3.97 -0.89 4.82 0.04 -1.26 -0.93 135.00 138.86 2uwe s PRO 116 Ca 0.22 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 2uwe s PRO 116 Cb -0.11 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.17 2uwe s PRO 116 CO 0.13 -0.30 1.25 1.21 0.04 0.00 0.00 177.00 179.33 2uwe s ASN 117 N -1.74 6.43 -0.39 6.66 3.84 -1.26 -4.55 114.94 123.93 2uwe s ASN 117 Ca 0.62 -1.39 -0.28 0.00 0.21 0.00 0.00 52.86 52.02 2uwe s ASN 117 Cb -0.20 -2.50 -0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2uwe s ASN 117 CO 0.25 -1.42 1.61 -0.63 -2.79 0.00 0.00 177.10 174.11 2uwe s ILE 118 N 4.30 3.67 0.05 -5.21 -1.09 -1.26 -4.89 121.20 116.77 2uwe s ILE 118 Ca 0.37 0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 59.32 2uwe s ILE 118 Cb -0.05 -3.95 -0.31 0.00 -1.58 0.00 0.00 42.46 36.57 2uwe s ILE 118 CO -0.03 -0.64 1.08 1.56 -1.23 0.00 0.00 174.94 175.69 2uwe h GLN 119 N 11.95 0.54 -2.38 2.79 4.20 -1.96 -3.39 115.11 126.85 2uwe h GLN 119 Ca -0.30 -0.80 -0.60 0.00 0.06 0.00 0.00 58.65 57.01 2uwe h GLN 119 Cb 1.14 0.28 -0.41 0.00 0.30 0.00 0.00 27.48 28.78 2uwe h GLN 119 CO 1.07 1.37 -0.69 0.09 -0.67 0.00 0.00 178.83 180.01 2uwe n ASN 120 N -3.73 2.81 -4.72 1.46 3.02 -1.26 -5.10 115.26 107.75 2uwe n ASN 120 Ca -0.14 -3.22 -0.42 0.00 -0.03 0.00 0.00 54.58 50.78 2uwe n ASN 120 Cb 1.03 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 2uwe n ASN 120 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2uwe s PRO 121 N -1.91 4.36 -0.52 3.52 0.02 -1.26 -4.97 135.00 134.24 2uwe s PRO 121 Ca 0.35 2.01 0.07 0.00 0.02 0.00 0.00 61.00 63.46 2uwe s PRO 121 Cb 0.10 -3.26 0.27 0.00 0.02 0.00 0.00 34.50 31.64 2uwe s PRO 121 CO -0.07 -0.37 0.69 0.39 -0.33 0.00 0.00 177.00 177.31 2uwe n GLU 122 N 3.69 1.84 -1.94 5.54 1.02 -0.33 -5.00 120.64 125.46 2uwe n GLU 122 Ca 0.10 -4.07 -0.42 0.00 -0.02 0.00 0.00 57.16 52.75 2uwe n GLU 122 Cb 0.43 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 2uwe n GLU 122 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2uwe s PRO 123 N -2.16 4.22 -0.05 3.49 0.04 -1.13 -4.66 135.00 134.75 2uwe s PRO 123 Ca 0.39 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.66 2uwe s PRO 123 Cb 0.19 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.62 2uwe s PRO 123 CO -0.07 -0.57 0.31 0.00 0.04 0.00 0.00 177.00 176.70 2uwe s ALA 124 N 0.87 -0.77 -0.14 8.56 0.00 -0.97 -4.98 121.76 124.33 2uwe s ALA 124 Ca 0.68 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 2uwe s ALA 124 Cb -0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2uwe s ALA 124 CO 0.34 -0.23 -0.06 0.08 0.00 0.00 0.00 175.76 175.89 2uwe s VAL 125 N -0.88 3.68 0.03 0.00 1.01 -1.26 -2.07 120.40 120.91 2uwe s VAL 125 Ca -0.10 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2uwe s VAL 125 Cb -0.04 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2uwe s VAL 125 CO 0.03 0.51 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 2uwe s TYR 126 N 0.24 1.81 -0.11 5.22 1.51 0.71 -4.96 117.35 121.77 2uwe s TYR 126 Ca -0.04 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 2uwe s TYR 126 Cb -0.14 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 2uwe s TYR 126 CO 0.03 0.06 0.31 -1.14 -1.11 0.00 0.00 175.55 173.70 2uwe s GLN 127 N -0.98 4.04 0.17 -0.62 0.74 -1.26 -0.22 119.66 121.54 2uwe s GLN 127 Ca 0.07 0.17 0.09 0.00 0.05 0.00 0.00 55.36 55.75 2uwe s GLN 127 Cb -0.08 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2uwe s GLN 127 CO 0.01 0.44 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.49 2uwe s LEU 128 N -0.18 2.43 0.08 3.68 1.43 0.55 -4.97 118.68 121.70 2uwe s LEU 128 Ca 0.19 -0.86 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 2uwe s LEU 128 Cb -0.14 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2uwe s LEU 128 CO 0.07 0.00 -0.24 -0.54 0.23 0.00 0.00 176.35 175.87 2uwe s LYS 129 N -2.73 1.42 -0.44 1.70 1.02 -1.26 -0.88 119.74 118.56 2uwe s LYS 129 Ca 0.16 -1.13 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 2uwe s LYS 129 Cb -0.06 -1.68 0.07 0.00 -0.52 0.00 0.00 37.83 35.64 2uwe s LYS 129 CO 0.07 0.41 0.33 0.34 -0.92 0.00 0.00 175.35 175.58 2uwe s ASP 132 N -1.57 5.93 0.42 2.83 2.15 -0.72 -4.97 116.67 120.73 2uwe s ASP 132 Ca 0.10 -1.35 0.30 0.00 0.43 0.00 0.00 52.55 52.03 2uwe s ASP 132 Cb -0.10 -2.10 1.39 0.00 -0.30 0.00 0.00 42.92 41.82 2uwe s ASP 132 CO 0.03 -0.58 1.89 1.55 -0.17 0.00 0.00 175.17 177.90 2uwe h PRO 133 N 8.60 0.00 0.00 4.34 0.13 -1.96 -2.20 132.00 140.90 2uwe h PRO 133 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2uwe h PRO 133 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2uwe h PRO 133 CO 0.81 0.00 -0.09 0.54 -0.23 0.00 0.00 178.00 179.03 2uwe n ARG 134 N -2.62 0.18 -4.48 0.86 5.12 -1.26 -4.82 116.66 109.63 2uwe n ARG 134 Ca -0.00 0.13 -0.24 0.00 -1.93 0.00 0.00 57.85 55.81 2uwe n ARG 134 Cb 0.18 -1.69 -0.10 0.00 -1.16 0.00 0.00 32.46 29.68 2uwe n ARG 134 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2uwe s SER 135 N -3.99 3.61 -0.03 0.55 0.01 -0.83 -5.11 113.70 107.91 2uwe s SER 135 Ca 0.11 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 2uwe s SER 135 Cb 0.15 -0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2uwe s SER 135 CO 0.60 -0.01 0.26 -0.61 0.41 0.00 0.00 173.24 173.88 2uwe h GLN 136 N 2.22 -0.13 -0.58 12.44 5.75 -1.88 -3.39 115.11 129.54 2uwe h GLN 136 Ca -0.40 0.01 -0.37 0.00 -0.15 0.00 0.00 58.65 57.74 2uwe h GLN 136 Cb 1.26 0.03 -0.22 0.00 1.07 0.00 0.00 27.48 29.61 2uwe h GLN 136 CO 0.62 -0.08 -0.06 -0.25 -2.65 0.00 0.00 178.83 176.41 2uwe n ASP 137 N -3.40 3.93 -4.55 -0.69 8.00 -1.26 -4.98 116.55 113.60 2uwe n ASP 137 Ca -0.02 -3.78 -0.43 0.00 0.71 0.00 0.00 54.79 51.28 2uwe n ASP 137 Cb 0.05 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.46 2uwe n ASP 137 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2uwe s SER 138 N -2.61 6.44 0.17 -2.24 0.15 -1.26 -5.03 113.70 109.31 2uwe s SER 138 Ca 0.50 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 57.19 2uwe s SER 138 Cb 0.43 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2uwe s SER 138 CO 0.01 -0.88 -0.11 0.42 1.20 0.00 0.00 173.24 173.88 2uwe s THR 139 N 3.25 1.34 0.00 6.45 -4.23 -1.26 -1.76 115.64 119.43 2uwe s THR 139 Ca 0.30 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 2uwe s THR 139 Cb -0.12 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2uwe s THR 139 CO 0.21 -0.69 0.13 -0.22 -0.54 0.00 0.00 174.62 173.51 2uwe s LEU 140 N -3.22 1.59 -0.12 4.79 0.20 -0.06 -4.67 118.68 117.19 2uwe s LEU 140 Ca 0.19 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.77 2uwe s LEU 140 Cb 0.02 0.63 -0.03 0.00 -0.43 0.00 0.00 46.19 46.38 2uwe s LEU 140 CO 0.03 -0.35 0.01 0.00 -0.29 0.00 0.00 176.35 175.75 2uwe s LEU 142 N -0.40 1.89 -0.24 0.00 2.96 0.70 -1.01 118.68 122.58 2uwe s LEU 142 Ca 0.08 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 2uwe s LEU 142 Cb -0.12 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2uwe s LEU 142 CO 0.02 -0.05 0.11 0.12 -1.32 0.00 0.00 176.35 175.23 2uwe s PHE 143 N 1.42 3.20 0.14 5.38 5.36 -0.32 -0.20 117.98 132.96 2uwe s PHE 143 Ca 0.04 -0.05 -0.06 0.00 -0.96 0.00 0.00 56.93 55.90 2uwe s PHE 143 Cb -0.13 -2.23 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 2uwe s PHE 143 CO -0.11 -0.09 0.20 -0.08 -1.46 0.00 0.00 175.22 173.68 2uwe s THR 144 N 1.19 0.09 -1.75 0.12 -1.32 -0.88 -0.55 115.64 112.53 2uwe s THR 144 Ca 0.06 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2uwe s THR 144 Cb -0.14 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 2uwe s THR 144 CO 0.05 -0.40 0.00 0.47 -2.21 0.00 0.00 174.62 172.53 2uwe n ASP 145 N -0.16 -5.07 -4.93 8.08 8.00 -0.59 -2.29 116.55 119.59 2uwe n ASP 145 Ca -0.08 0.34 -0.25 0.00 0.71 0.00 0.00 54.79 55.50 2uwe n ASP 145 Cb 0.63 -4.10 0.04 0.00 -0.02 0.00 0.00 41.12 37.67 2uwe n ASP 145 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2uwe s PHE 146 N -2.68 3.15 0.78 1.24 -0.71 -1.26 -1.18 117.98 117.31 2uwe s PHE 146 Ca 0.00 0.49 -0.11 0.00 -1.04 0.00 0.00 56.93 56.27 2uwe s PHE 146 Cb 0.00 -2.76 0.06 0.00 -1.21 0.00 0.00 43.02 39.11 2uwe s PHE 146 CO 0.00 -0.86 1.10 -0.51 -1.34 0.00 0.00 175.22 173.61 2uwe s ASP 147 N -4.34 4.37 0.03 1.98 1.01 -1.26 -4.40 116.67 114.06 2uwe s ASP 147 Ca 0.54 1.90 0.27 0.00 0.71 0.00 0.00 52.55 55.97 2uwe s ASP 147 Cb -0.10 -2.53 1.13 0.00 1.01 0.00 0.00 42.92 42.42 2uwe s ASP 147 CO 0.43 -2.13 1.86 -1.20 0.21 0.00 0.00 175.17 174.35 2uwe n SER 148 N -3.47 0.11 0.08 0.27 7.64 -1.26 -3.61 113.62 113.38 2uwe n SER 148 Ca 0.10 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2uwe n SER 148 Cb 0.53 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 2uwe n SER 148 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2uwe h GLN 149 N 0.00 0.00 -7.18 1.43 1.08 -1.93 -3.47 115.11 105.04 2uwe h GLN 149 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 2uwe h GLN 149 Cb 0.50 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.98 2uwe h GLN 149 CO 0.00 0.45 0.38 0.96 -0.95 0.00 0.00 178.83 179.67 2uwe s ILE 150 N -2.91 4.01 -0.24 2.54 -5.25 -1.24 -5.04 121.20 113.08 2uwe s ILE 150 Ca 0.00 0.99 -0.11 0.00 -0.99 0.00 0.00 60.65 60.54 2uwe s ILE 150 Cb 0.08 -3.49 -0.05 0.00 2.95 0.00 0.00 42.46 41.96 2uwe s ILE 150 CO 0.78 -0.53 0.18 0.20 -1.79 0.00 0.00 174.94 173.79 2uwe s ASN 151 N -2.78 6.13 -0.06 4.36 0.01 -1.26 -5.03 114.94 116.31 2uwe s ASN 151 Ca 0.63 0.13 -0.28 0.00 -0.71 0.00 0.00 52.86 52.63 2uwe s ASN 151 Cb -0.14 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 2uwe s ASN 151 CO 0.33 0.04 0.90 -0.69 -1.51 0.00 0.00 177.10 176.18 2uwe s VAL 152 N 1.16 4.89 0.56 1.60 1.01 -1.26 -4.87 120.40 123.49 2uwe s VAL 152 Ca 0.08 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 2uwe s VAL 152 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2uwe s VAL 152 CO 0.05 0.13 1.27 -2.84 0.00 0.00 0.00 175.10 173.72 2uwe s PRO 153 N 1.32 3.08 0.21 2.72 0.02 -1.26 -5.01 135.00 136.09 2uwe s PRO 153 Ca 0.46 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 2uwe s PRO 153 Cb -0.19 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 2uwe s PRO 153 CO 0.22 -1.17 0.41 0.15 -0.33 0.00 0.00 177.00 176.28 2uwe s LYS 154 N -3.08 3.54 0.29 5.54 -0.14 -1.26 -4.85 119.74 119.78 2uwe s LYS 154 Ca 0.74 -0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.78 2uwe s LYS 154 Cb -0.35 -2.81 -0.11 0.00 -1.68 0.00 0.00 37.83 32.88 2uwe s LYS 154 CO 0.40 0.38 1.57 -0.08 -0.76 0.00 0.00 175.35 176.86 2uwe s THR 155 N -1.88 2.13 -0.10 2.17 -1.32 -1.26 -4.92 115.64 110.45 2uwe s THR 155 Ca 0.39 0.11 0.14 0.00 -1.21 0.00 0.00 61.69 61.12 2uwe s THR 155 Cb -0.11 -3.07 -0.20 0.00 -1.51 0.00 0.00 72.50 67.61 2uwe s THR 155 CO 0.29 0.02 0.15 0.23 -2.21 0.00 0.00 174.62 173.09 2uwe n MET 156 N 2.09 1.24 -4.38 7.08 2.81 -1.26 -5.03 117.12 119.67 2uwe n MET 156 Ca 0.08 -0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.62 2uwe n MET 156 Cb 0.38 -1.37 -0.13 0.00 -0.71 0.00 0.00 33.22 31.39 2uwe n MET 156 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2uwe s GLU 157 N -2.60 1.50 0.23 0.03 -1.05 -1.26 -5.12 118.70 110.43 2uwe s GLU 157 Ca -0.07 -1.30 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2uwe s GLU 157 Cb 0.06 -1.95 -0.09 0.00 -0.44 0.00 0.00 34.13 31.71 2uwe s GLU 157 CO 0.61 0.46 1.14 -1.54 0.95 0.00 0.00 175.26 176.88 2uwe s SER 158 N -2.06 7.18 0.00 0.83 1.04 -1.26 -3.31 113.70 116.13 2uwe s SER 158 Ca 0.15 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2uwe s SER 158 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2uwe s SER 158 CO 0.07 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2uwe n GLY 159 N 1.66 3.11 3.81 7.32 0.00 -1.26 -4.93 105.19 114.90 2uwe n GLY 159 Ca 0.01 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2uwe n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwe s THR 160 N -0.89 4.70 0.00 2.61 2.01 -1.21 -2.90 115.64 119.96 2uwe s THR 160 Ca 0.00 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2uwe s THR 160 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2uwe s THR 160 CO 0.00 0.50 -0.07 0.12 -0.69 0.00 0.00 174.62 174.48 2uwe s PHE 161 N -1.18 0.65 -0.05 4.92 5.36 0.46 -4.75 117.98 123.39 2uwe s PHE 161 Ca 0.31 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.16 2uwe s PHE 161 Cb -0.19 -0.41 -0.00 0.00 -0.34 0.00 0.00 43.02 42.07 2uwe s PHE 161 CO 0.20 -0.02 -0.18 0.42 -1.46 0.00 0.00 175.22 174.18 2uwe s ILE 162 N -0.32 1.56 0.44 3.12 1.01 -1.26 -1.86 121.20 123.88 2uwe s ILE 162 Ca 0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2uwe s ILE 162 Cb -0.04 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2uwe s ILE 162 CO -0.00 0.45 0.77 0.42 0.00 0.00 0.00 174.94 176.58 2uwe s THR 163 N 0.13 4.85 0.74 2.92 -4.23 -0.08 -4.69 115.64 115.27 2uwe s THR 163 Ca -0.07 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 2uwe s THR 163 Cb -0.13 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.95 2uwe s THR 163 CO 0.03 -0.68 1.11 -1.81 -0.54 0.00 0.00 174.62 172.74 2uwe s ASP 164 N -3.62 4.61 0.32 3.99 1.01 -1.26 -4.47 116.67 117.25 2uwe s ASP 164 Ca 0.49 1.95 -0.29 0.00 0.71 0.00 0.00 52.55 55.41 2uwe s ASP 164 Cb -0.10 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2uwe s ASP 164 CO 0.38 -1.96 1.33 -1.59 0.21 0.00 0.00 175.17 173.53 2uwe s LYS 165 N -4.51 4.34 0.13 8.23 -2.85 -1.26 -4.70 119.74 119.11 2uwe s LYS 165 Ca 0.65 2.23 0.08 0.00 -1.00 0.00 0.00 55.97 57.93 2uwe s LYS 165 Cb -0.19 -3.08 -0.04 0.00 -2.06 0.00 0.00 37.83 32.46 2uwe s LYS 165 CO 0.50 -0.22 -0.20 0.95 0.10 0.00 0.00 175.35 176.48 2uwe s THR 166 N -0.97 1.76 -0.18 3.79 -4.23 -0.05 -4.93 115.64 110.84 2uwe s THR 166 Ca 0.50 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 2uwe s THR 166 Cb -0.40 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2uwe s THR 166 CO 0.52 -0.17 0.22 -0.69 -0.54 0.00 0.00 174.62 173.96 2uwe s VAL 167 N -1.54 5.35 -0.17 2.29 1.01 -1.26 -1.15 120.40 124.93 2uwe s VAL 167 Ca 0.10 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 2uwe s VAL 167 Cb -0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2uwe s VAL 167 CO 0.05 0.41 -0.03 -0.22 0.00 0.00 0.00 175.10 175.31 2uwe s LEU 168 N 0.43 3.20 -0.55 3.92 1.98 0.21 -4.94 118.68 122.94 2uwe s LEU 168 Ca 0.13 -0.18 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 2uwe s LEU 168 Cb -0.12 -1.78 0.14 0.00 0.66 0.00 0.00 46.19 45.09 2uwe s LEU 168 CO 0.01 0.13 0.35 -0.62 -1.89 0.00 0.00 176.35 174.33 2uwe s ASP 169 N 0.61 5.17 -0.29 3.68 2.15 -1.26 0.12 116.67 126.85 2uwe s ASP 169 Ca -0.02 -2.61 -0.29 0.00 0.43 0.00 0.00 52.55 50.06 2uwe s ASP 169 Cb -0.14 -1.83 -0.01 0.00 -0.30 0.00 0.00 42.92 40.63 2uwe s ASP 169 CO 0.02 -0.41 1.55 -0.04 -0.17 0.00 0.00 175.17 176.13 2uwe s MET 170 N 0.30 3.70 0.00 4.34 -1.94 -0.96 -4.86 119.30 119.88 2uwe s MET 170 Ca 0.14 1.42 0.31 0.00 -1.71 0.00 0.00 55.69 55.86 2uwe s MET 170 Cb -0.21 -4.03 1.80 0.00 2.01 0.00 0.00 34.83 34.39 2uwe s MET 170 CO -0.03 -1.40 2.17 1.63 -0.01 0.00 0.00 175.02 177.37 2uwe n LYS 171 N 7.80 1.01 0.02 2.03 4.76 -1.26 -3.25 118.16 129.26 2uwe n LYS 171 Ca 0.18 -0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 2uwe n LYS 171 Cb 0.46 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 2uwe n LYS 171 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2uwe h ALA 172 N 3.98 -0.07 -0.73 7.82 0.00 -1.95 -3.41 119.26 124.90 2uwe h ALA 172 Ca 0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 2uwe h ALA 172 Cb 0.07 0.03 -0.35 0.00 0.00 0.00 0.00 17.79 17.54 2uwe h ALA 172 CO 0.00 -0.30 -1.02 0.00 0.00 0.00 0.00 179.25 177.93 2uwe n MET 173 N -4.90 1.23 -4.06 0.00 0.00 -1.25 -5.02 117.12 103.11 2uwe n MET 173 Ca -0.08 -2.98 -0.46 0.00 0.00 0.00 0.00 57.70 54.18 2uwe n MET 173 Cb 0.25 -1.03 0.02 0.00 0.00 0.00 0.00 33.22 32.46 2uwe n MET 173 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2uwe n ASP 174 N -0.27 -4.19 -3.87 3.17 -0.08 -1.24 -4.94 116.55 105.13 2uwe n ASP 174 Ca 0.06 -1.29 -0.30 0.00 -1.51 0.00 0.00 54.79 51.75 2uwe n ASP 174 Cb 0.82 -1.67 -0.15 0.00 2.34 0.00 0.00 41.12 42.47 2uwe n ASP 174 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2uwe s SER 175 N -3.50 4.16 -0.16 1.67 1.04 -1.20 -5.06 113.70 110.65 2uwe s SER 175 Ca 0.47 -1.64 -0.18 0.00 0.48 0.00 0.00 55.95 55.08 2uwe s SER 175 Cb -0.26 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 2uwe s SER 175 CO 0.97 -0.35 0.48 -0.54 0.98 0.00 0.00 173.24 174.77 2uwe s LYS 176 N 1.36 4.25 -0.12 4.02 1.02 -1.26 -2.26 119.74 126.75 2uwe s LYS 176 Ca 0.06 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.45 2uwe s LYS 176 Cb -0.18 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2uwe s LYS 176 CO -0.14 0.01 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.00 2uwe s SER 177 N 0.89 3.60 0.17 2.83 0.01 0.12 -4.92 113.70 116.40 2uwe s SER 177 Ca 0.24 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 56.82 2uwe s SER 177 Cb -0.15 -1.52 -0.08 0.00 0.21 0.00 0.00 66.02 64.48 2uwe s SER 177 CO 0.09 0.16 0.75 0.20 0.41 0.00 0.00 173.24 174.86 2uwe s ASN 178 N 0.37 7.32 -0.05 2.44 0.01 -1.26 0.68 114.94 124.45 2uwe s ASN 178 Ca -0.14 1.59 -0.13 0.00 -0.71 0.00 0.00 52.86 53.47 2uwe s ASN 178 Cb -0.17 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2uwe s ASN 178 CO 0.07 0.19 0.30 -0.83 -1.51 0.00 0.00 177.10 175.32 2uwe s GLY 179 N -1.21 -0.17 0.02 0.66 0.00 -0.30 -1.55 107.32 104.76 2uwe s GLY 179 Ca 0.36 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2uwe s GLY 179 CO 0.25 0.34 -0.04 0.00 0.00 0.00 0.00 173.10 173.66 2uwe s ALA 180 N -0.77 0.21 -0.05 3.20 0.00 0.28 -0.87 121.76 123.75 2uwe s ALA 180 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2uwe s ALA 180 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2uwe s ALA 180 CO 0.03 -0.10 -0.23 0.42 0.00 0.00 0.00 175.76 175.87 2uwe s ILE 181 N -1.22 1.88 -0.04 0.00 1.09 -1.26 -1.18 121.20 120.48 2uwe s ILE 181 Ca -0.12 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.48 2uwe s ILE 181 Cb -0.08 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.72 2uwe s ILE 181 CO -0.01 0.53 -0.12 0.00 -0.10 0.00 0.00 174.94 175.24 2uwe s ALA 182 N -0.15 1.13 0.20 9.38 0.00 -0.18 -0.90 121.76 131.24 2uwe s ALA 182 Ca -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2uwe s ALA 182 Cb -0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2uwe s ALA 182 CO 0.03 0.18 0.02 1.67 0.00 0.00 0.00 175.76 177.66 2uwe s TRP 183 N 0.22 1.32 0.31 0.00 -2.14 -0.78 0.23 118.94 118.09 2uwe s TRP 183 Ca -0.05 -1.04 -0.08 0.00 2.66 0.00 0.00 56.10 57.59 2uwe s TRP 183 Cb -0.11 -0.75 0.00 0.00 -3.10 0.00 0.00 33.47 29.52 2uwe s TRP 183 CO 0.01 -0.22 0.50 -1.54 -2.66 0.00 0.00 176.95 173.05 2uwe s SER 184 N -3.22 0.41 -0.34 -2.66 1.04 -1.26 -0.40 113.70 107.26 2uwe s SER 184 Ca 0.27 -1.24 0.14 0.00 0.48 0.00 0.00 55.95 55.61 2uwe s SER 184 Cb 0.06 0.65 0.45 0.00 0.10 0.00 0.00 66.02 67.29 2uwe s SER 184 CO 0.06 -1.27 1.03 0.59 0.98 0.00 0.00 173.24 174.63 2uwe n ASN 185 N -0.99 2.59 -4.64 7.02 3.02 -1.14 -4.93 115.26 116.19 2uwe n ASN 185 Ca -0.01 -2.97 -0.35 0.00 -0.03 0.00 0.00 54.58 51.22 2uwe n ASN 185 Cb 0.62 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 2uwe n ASN 185 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2uwe s GLN 186 N -3.35 3.13 0.11 3.52 -0.21 -1.26 -4.97 119.66 116.62 2uwe s GLN 186 Ca 0.34 -0.44 -0.20 0.00 0.02 0.00 0.00 55.36 55.08 2uwe s GLN 186 Cb 0.42 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2uwe s GLN 186 CO -0.03 0.59 1.03 2.41 -2.12 0.00 0.00 175.29 177.17 2uwe n THR 187 N 2.47 -0.45 -3.50 -0.19 -1.04 -1.26 -4.11 114.28 106.20 2uwe n THR 187 Ca -0.18 1.61 -0.19 0.00 -2.04 0.00 0.00 64.05 63.25 2uwe n THR 187 Cb 0.53 -1.99 -0.13 0.00 -1.82 0.00 0.00 70.33 66.92 2uwe n THR 187 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2uwe s SER 188 N -5.29 1.54 -0.06 8.00 0.01 -1.26 -5.14 113.70 111.50 2uwe s SER 188 Ca -0.08 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.88 2uwe s SER 188 Cb 0.07 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.63 2uwe s SER 188 CO 0.41 -0.33 -0.08 0.12 0.41 0.00 0.00 173.24 173.76 2uwe s PHE 189 N 2.30 1.12 0.68 2.43 5.36 -1.26 -5.15 117.98 123.47 2uwe s PHE 189 Ca 0.07 -0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 55.52 2uwe s PHE 189 Cb -0.16 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 2uwe s PHE 189 CO -0.13 -0.26 1.06 -0.08 -1.46 0.00 0.00 175.22 174.35 2uwe s THR 190 N 0.90 3.95 -0.36 0.12 -1.32 -1.26 -4.99 115.64 112.68 2uwe s THR 190 Ca -0.11 0.68 0.23 0.00 -1.21 0.00 0.00 61.69 61.28 2uwe s THR 190 Cb -0.15 -3.37 0.18 0.00 -1.51 0.00 0.00 72.50 67.65 2uwe s THR 190 CO 0.01 -0.78 1.35 0.00 -2.21 0.00 0.00 174.62 172.99 2uwe h GLN 192 N 0.00 1.13 -0.04 0.00 5.75 -1.95 -3.19 115.11 116.80 2uwe h GLN 192 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 2uwe h GLN 192 Cb 0.98 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.39 2uwe h GLN 192 CO 0.00 0.99 0.00 -0.25 -2.65 0.00 0.00 178.83 176.92 2uwe n ASP 193 N -4.23 2.71 -0.03 -0.69 8.00 -1.26 -4.22 116.55 116.83 2uwe n ASP 193 Ca 0.05 -1.90 -0.12 0.00 0.71 0.00 0.00 54.79 53.53 2uwe n ASP 193 Cb 0.26 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 2uwe n ASP 193 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2uwe h ILE 194 N 4.21 1.43 -0.17 0.53 1.08 -1.71 -3.29 117.51 119.59 2uwe h ILE 194 Ca 0.00 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 2uwe h ILE 194 Cb 0.90 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 2uwe h ILE 194 CO 0.00 0.43 0.00 0.49 -0.69 0.00 0.00 178.15 178.38 2uwe n PHE 195 N -4.74 0.51 -2.06 1.37 3.01 -1.26 -4.85 117.46 109.44 2uwe n PHE 195 Ca -0.09 -0.19 -0.42 0.00 1.01 0.00 0.00 57.45 57.77 2uwe n PHE 195 Cb 0.36 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 2uwe n PHE 195 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2uwe s LYS 196 N -1.55 4.23 -0.21 -1.08 2.20 -1.24 -4.76 119.74 117.33 2uwe s LYS 196 Ca 0.15 2.17 -0.29 0.00 -0.36 0.00 0.00 55.97 57.64 2uwe s LYS 196 Cb 0.11 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2uwe s LYS 196 CO 0.06 -0.67 1.67 -2.00 -0.36 0.00 0.00 175.35 174.05 2uwe s GLU 197 N 2.59 3.76 0.00 4.03 2.12 -1.26 -4.77 118.70 125.16 2uwe s GLU 197 Ca 0.69 1.72 0.15 0.00 0.36 0.00 0.00 54.97 57.90 2uwe s GLU 197 Cb -0.36 -4.07 0.12 0.00 0.26 0.00 0.00 34.13 30.09 2uwe s GLU 197 CO 0.30 -1.34 0.98 -2.37 -0.54 0.00 0.00 175.26 172.28