#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe s ASP 1 N 0.00 3.75 0.21 7.83 1.01 -1.26 -4.40 116.67 123.81 2uwe s ASP 1 Ca 0.00 -1.47 -0.02 0.00 0.71 0.00 0.00 52.55 51.76 2uwe s ASP 1 Cb 0.00 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.31 2uwe s ASP 1 CO 0.00 -0.43 0.18 -0.94 0.21 0.00 0.00 175.17 174.20 2uwe s SER 2 N 1.85 0.16 -0.03 0.27 1.04 -0.97 -4.97 113.70 111.05 2uwe s SER 2 Ca 0.10 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.22 2uwe s SER 2 Cb -0.17 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2uwe s SER 2 CO -0.31 -0.89 -0.11 -0.69 0.98 0.00 0.00 173.24 172.22 2uwe s VAL 3 N -4.12 0.97 -0.14 5.02 1.01 -1.26 -1.85 120.40 120.03 2uwe s VAL 3 Ca 0.37 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2uwe s VAL 3 Cb 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2uwe s VAL 3 CO 0.12 0.29 -0.21 -0.89 0.00 0.00 0.00 175.10 174.41 2uwe s THR 4 N 0.10 2.00 0.27 3.92 2.01 0.33 -4.72 115.64 119.55 2uwe s THR 4 Ca -0.02 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.14 2uwe s THR 4 Cb -0.09 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 2uwe s THR 4 CO 0.01 0.54 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.31 2uwe s GLN 5 N 0.93 2.11 -0.01 4.92 -0.21 -1.26 -1.23 119.66 124.90 2uwe s GLN 5 Ca -0.05 -1.52 -0.36 0.00 0.02 0.00 0.00 55.36 53.44 2uwe s GLN 5 Cb -0.15 -2.04 -0.15 0.00 1.00 0.00 0.00 33.01 31.67 2uwe s GLN 5 CO -0.04 0.35 1.57 2.41 -2.12 0.00 0.00 175.29 177.47 2uwe n THR 6 N -0.81 0.16 -2.56 -0.19 -1.04 -1.05 -4.90 114.28 103.89 2uwe n THR 6 Ca -0.06 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 2uwe n THR 6 Cb 0.59 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 2uwe n THR 6 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2uwe s GLU 7 N 1.85 4.51 4.40 -2.82 1.03 -1.26 -4.48 118.70 121.92 2uwe s GLU 7 Ca 0.88 1.61 0.00 0.00 0.03 0.00 0.00 54.97 57.48 2uwe s GLU 7 Cb -0.88 -3.39 0.00 0.00 -0.80 0.00 0.00 34.13 29.06 2uwe s GLU 7 CO 0.50 -0.13 0.00 0.41 -1.33 0.00 0.00 175.26 174.71 2uwe n GLY 8 N 2.98 0.33 3.64 -3.83 0.00 -1.26 -4.84 105.19 102.20 2uwe n GLY 8 Ca 0.07 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 3.77 -0.30 0.99 2.96 -1.26 -2.67 118.68 122.17 2uwe s LEU 9 Ca 0.00 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2uwe s LEU 9 Cb 0.00 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.78 2uwe s LEU 9 CO 0.00 0.21 0.06 -0.69 -1.32 0.00 0.00 176.35 174.61 2uwe s VAL 10 N 0.15 3.65 -0.16 1.68 1.01 0.06 -5.00 120.40 121.78 2uwe s VAL 10 Ca 0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2uwe s VAL 10 Cb -0.12 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2uwe s VAL 10 CO 0.01 0.02 0.11 -0.89 0.00 0.00 0.00 175.10 174.35 2uwe s THR 11 N 1.43 5.26 -0.11 3.92 2.01 -1.26 -0.55 115.64 126.33 2uwe s THR 11 Ca 0.00 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 2uwe s THR 11 Cb -0.18 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.02 2uwe s THR 11 CO 0.01 0.51 0.29 -0.22 -0.69 0.00 0.00 174.62 174.53 2uwe s LEU 12 N -0.18 0.80 0.21 4.42 2.96 0.06 -4.97 118.68 121.97 2uwe s LEU 12 Ca 0.10 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.30 2uwe s LEU 12 Cb -0.12 0.99 -0.08 0.00 0.50 0.00 0.00 46.19 47.48 2uwe s LEU 12 CO 0.01 -0.11 0.93 -0.89 -1.32 0.00 0.00 176.35 174.97 2uwe s THR 13 N 0.31 4.18 0.25 3.68 2.01 -1.26 -0.01 115.64 124.81 2uwe s THR 13 Ca -0.01 2.06 -0.31 0.00 0.31 0.00 0.00 61.69 63.74 2uwe s THR 13 Cb -0.03 -4.31 -0.13 0.00 0.01 0.00 0.00 72.50 68.03 2uwe s THR 13 CO -0.01 0.46 1.37 -1.84 -0.69 0.00 0.00 174.62 173.91 2uwe n GLU 14 N 1.77 1.99 0.00 4.92 0.28 -0.09 -2.33 120.64 127.18 2uwe n GLU 14 Ca -0.01 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 2uwe n GLU 14 Cb 0.48 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 1.93 1.47 3.92 -1.84 0.00 0.40 -4.80 105.19 106.27 2uwe n GLY 15 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 4.18 0.29 0.99 1.43 -0.98 -4.49 118.68 120.10 2uwe s LEU 16 Ca 0.00 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.28 2uwe s LEU 16 Cb 0.00 -3.26 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 2uwe s LEU 16 CO 0.00 -0.08 1.24 -2.84 0.23 0.00 0.00 176.35 174.90 2uwe s PRO 17 N -3.40 4.45 0.16 1.29 0.02 -1.17 -0.93 135.00 135.41 2uwe s PRO 17 Ca 0.40 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 2uwe s PRO 17 Cb -0.11 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 2uwe s PRO 17 CO 0.29 -0.08 0.75 0.08 -0.33 0.00 0.00 177.00 177.71 2uwe s VAL 18 N -0.90 4.42 -0.33 3.83 1.01 -0.09 -4.92 120.40 123.41 2uwe s VAL 18 Ca 0.49 1.62 0.02 0.00 0.00 0.00 0.00 61.98 64.10 2uwe s VAL 18 Cb -0.37 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.07 2uwe s VAL 18 CO 0.47 0.51 0.34 -0.32 0.00 0.00 0.00 175.10 176.10 2uwe s MET 19 N -1.19 0.50 -0.23 2.72 0.00 -1.25 -2.82 119.30 117.03 2uwe s MET 19 Ca 0.35 -0.53 -0.04 0.00 0.00 0.00 0.00 55.69 55.47 2uwe s MET 19 Cb -0.22 -0.69 -0.00 0.00 0.00 0.00 0.00 34.83 33.91 2uwe s MET 19 CO 0.25 -1.12 -0.04 -0.51 0.00 0.00 0.00 175.02 173.60 2uwe s LEU 20 N 1.85 2.97 0.20 4.11 1.43 -0.18 -4.97 118.68 124.09 2uwe s LEU 20 Ca 0.13 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2uwe s LEU 20 Cb -0.15 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 2uwe s LEU 20 CO -0.17 -0.04 0.95 0.20 0.23 0.00 0.00 176.35 177.53 2uwe s ASN 21 N 1.46 7.59 -0.06 2.29 0.01 -1.26 -0.55 114.94 124.42 2uwe s ASN 21 Ca 0.05 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 54.09 2uwe s ASN 21 Cb -0.15 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 38.94 2uwe s ASN 21 CO -0.03 0.08 0.06 0.00 -1.51 0.00 0.00 177.10 175.70 2uwe s THR 23 N 2.17 2.65 0.13 0.00 -4.23 -0.37 -0.66 115.64 115.33 2uwe s THR 23 Ca 0.05 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 2uwe s THR 23 Cb -0.13 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2uwe s THR 23 CO -0.04 -0.27 0.29 -0.72 -0.54 0.00 0.00 174.62 173.34 2uwe s TYR 24 N -2.50 0.18 -0.13 3.99 -0.85 -1.05 -0.51 117.35 116.47 2uwe s TYR 24 Ca 0.33 -0.56 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 2uwe s TYR 24 Cb -0.02 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.35 2uwe s TYR 24 CO 0.18 -0.67 -0.21 -0.65 -1.52 0.00 0.00 175.55 172.68 2uwe s GLN 25 N -3.90 3.06 -0.04 -3.49 -0.21 -0.77 -4.85 119.66 109.46 2uwe s GLN 25 Ca 0.10 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.65 2uwe s GLN 25 Cb 0.03 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.63 2uwe s GLN 25 CO -0.06 0.04 -0.04 0.45 -2.12 0.00 0.00 175.29 173.56 2uwe s SER 26 N 0.70 0.87 0.09 5.90 0.15 -1.26 -2.30 113.70 117.85 2uwe s SER 26 Ca -0.10 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.27 2uwe s SER 26 Cb -0.16 -0.41 -0.08 0.00 -1.71 0.00 0.00 66.02 63.66 2uwe s SER 26 CO 0.01 -0.06 1.49 0.74 1.20 0.00 0.00 173.24 176.61 2uwe h THR 27 N 6.16 1.28 -0.48 6.45 2.02 -2.00 -3.47 112.91 122.87 2uwe h THR 27 Ca -0.38 -1.09 -0.63 0.00 0.77 0.00 0.00 66.41 65.07 2uwe h THR 27 Cb 1.15 1.43 -0.09 0.00 -1.74 0.00 0.00 68.15 68.89 2uwe h THR 27 CO 0.47 0.34 -0.42 -0.31 0.37 0.00 0.00 175.52 175.97 2uwe s TYR 28 N -4.77 1.78 -0.28 3.16 1.51 -1.26 -5.05 117.35 112.44 2uwe s TYR 28 Ca -0.13 -0.90 -0.38 0.00 -1.01 0.00 0.00 57.07 54.66 2uwe s TYR 28 Cb 0.08 -1.75 -0.14 0.00 -0.11 0.00 0.00 41.96 40.04 2uwe s TYR 28 CO 0.77 -0.08 1.93 0.45 -1.11 0.00 0.00 175.55 177.51 2uwe n SER 29 N -1.48 2.46 -4.78 2.29 2.88 -1.26 -4.88 113.62 108.85 2uwe n SER 29 Ca -0.11 0.82 -0.37 0.00 -1.33 0.00 0.00 58.87 57.88 2uwe n SER 29 Cb 0.66 -1.22 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 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 4.63 3.88 -0.15 -1.46 0.04 -1.26 -5.07 135.00 135.62 2uwe s PRO 30 Ca 1.02 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2uwe s PRO 30 Cb -0.94 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.21 2uwe s PRO 30 CO 0.58 -0.42 0.04 -0.06 0.04 0.00 0.00 177.00 177.17 2uwe s PHE 31 N -1.60 0.70 0.19 0.56 0.40 -1.26 -5.05 117.98 111.93 2uwe s PHE 31 Ca 0.62 -0.49 0.11 0.00 -0.60 0.00 0.00 56.93 56.57 2uwe s PHE 31 Cb -0.26 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.36 2uwe s PHE 31 CO 0.32 -0.49 -0.22 -0.51 0.70 0.00 0.00 175.22 175.03 2uwe s LEU 32 N 1.96 2.52 0.01 -0.37 1.02 -1.26 -1.48 118.68 121.09 2uwe s LEU 32 Ca 0.02 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.34 2uwe s LEU 32 Cb -0.15 -1.25 -0.01 0.00 0.02 0.00 0.00 46.19 44.80 2uwe s LEU 32 CO -0.07 0.12 -0.02 -0.36 0.02 0.00 0.00 176.35 176.04 2uwe s PHE 33 N -1.68 0.17 -0.20 0.29 0.40 0.02 -1.08 117.98 115.90 2uwe s PHE 33 Ca 0.22 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 56.14 2uwe s PHE 33 Cb -0.08 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.29 2uwe s PHE 33 CO 0.11 -0.12 0.04 -1.58 0.70 0.00 0.00 175.22 174.36 2uwe s TRP 34 N -0.95 3.11 0.09 0.36 0.52 -0.52 0.38 118.94 121.93 2uwe s TRP 34 Ca -0.10 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 55.80 2uwe s TRP 34 Cb -0.07 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2uwe s TRP 34 CO -0.01 -0.14 -0.04 0.71 0.02 0.00 0.00 176.95 177.50 2uwe s TYR 35 N 0.93 2.90 -0.04 -1.98 1.51 0.27 -0.35 117.35 120.58 2uwe s TYR 35 Ca 0.03 -0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 2uwe s TYR 35 Cb -0.14 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2uwe s TYR 35 CO 0.02 0.45 -0.13 0.54 -1.11 0.00 0.00 175.55 175.33 2uwe s VAL 36 N -1.25 1.12 -0.20 0.71 0.11 0.03 0.42 120.40 121.34 2uwe s VAL 36 Ca 0.23 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 2uwe s VAL 36 Cb -0.11 -0.98 0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2uwe s VAL 36 CO 0.16 0.34 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.60 2uwe s GLN 37 N 0.17 1.83 0.63 1.54 0.74 0.65 -0.82 119.66 124.40 2uwe s GLN 37 Ca -0.05 -0.83 -0.11 0.00 0.05 0.00 0.00 55.36 54.43 2uwe s GLN 37 Cb -0.11 -2.39 -0.03 0.00 1.10 0.00 0.00 33.01 31.58 2uwe s GLN 37 CO 0.02 -0.47 1.04 -1.01 -0.55 0.00 0.00 175.29 174.31 2uwe s HIS 38 N 1.43 3.59 0.23 1.67 3.76 -1.26 -0.67 115.29 124.04 2uwe s HIS 38 Ca -0.02 1.26 -0.32 0.00 -0.15 0.00 0.00 55.06 55.83 2uwe s HIS 38 Cb -0.17 -2.76 -0.13 0.00 1.11 0.00 0.00 32.58 30.64 2uwe s HIS 38 CO -0.08 -0.75 1.60 -0.11 -0.85 0.00 0.00 174.74 174.55 2uwe n LEU 39 N -2.78 3.73 -2.94 0.89 7.94 -1.26 -1.87 117.00 120.71 2uwe n LEU 39 Ca 0.06 1.11 -0.21 0.00 -1.11 0.00 0.00 56.01 55.85 2uwe n LEU 39 Cb 0.54 -1.52 0.02 0.00 0.53 0.00 0.00 43.42 42.99 2uwe n LEU 39 CO 0.58 -0.06 -0.07 0.59 -1.11 0.00 0.00 177.39 177.32 2uwe n ASN 40 N 2.99 -5.32 -4.28 1.96 3.02 -1.26 -4.99 115.26 107.39 2uwe n ASN 40 Ca 0.13 -0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 54.32 2uwe n ASN 40 Cb 0.33 -4.35 -0.10 0.00 -0.61 0.00 0.00 39.78 35.05 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 -5.60 1.24 0.35 3.52 2.02 -0.78 -5.15 118.70 114.30 2uwe s GLU 41 Ca 0.24 -1.63 -0.23 0.00 0.02 0.00 0.00 54.97 53.37 2uwe s GLU 41 Cb -0.12 -0.30 -0.10 0.00 0.10 0.00 0.00 34.13 33.72 2uwe s GLU 41 CO 0.30 -0.19 0.92 0.00 0.02 0.00 0.00 175.26 176.31 2uwe s ALA 42 N -3.67 3.17 0.22 5.21 0.00 -1.26 -4.65 121.76 120.78 2uwe s ALA 42 Ca 0.30 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 2uwe s ALA 42 Cb 0.07 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 2uwe s ALA 42 CO 0.08 0.18 1.57 -2.14 0.00 0.00 0.00 175.76 175.45 2uwe s PRO 43 N -2.51 4.19 0.19 0.00 0.02 -1.26 -4.56 135.00 131.06 2uwe s PRO 43 Ca 0.54 2.44 0.08 0.00 0.02 0.00 0.00 61.00 64.08 2uwe s PRO 43 Cb -0.14 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2uwe s PRO 43 CO 0.19 -0.60 -0.15 -1.59 -0.33 0.00 0.00 177.00 174.52 2uwe s LYS 44 N 0.49 1.28 0.21 5.54 -2.85 -0.00 -4.94 119.74 119.47 2uwe s LYS 44 Ca 0.67 -1.50 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 2uwe s LYS 44 Cb -0.45 -1.15 -0.09 0.00 -2.06 0.00 0.00 37.83 34.08 2uwe s LYS 44 CO 0.37 0.20 1.28 -1.17 0.10 0.00 0.00 175.35 176.14 2uwe s LEU 45 N -3.06 4.43 -0.12 2.77 2.96 -1.26 -0.79 118.68 123.61 2uwe s LEU 45 Ca 0.19 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.39 2uwe s LEU 45 Cb -0.02 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2uwe s LEU 45 CO 0.06 -0.49 -0.23 -0.11 -1.32 0.00 0.00 176.35 174.26 2uwe n LEU 46 N 2.37 1.55 -3.85 -0.68 7.94 0.52 -4.85 117.00 119.99 2uwe n LEU 46 Ca 0.05 0.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.11 2uwe n LEU 46 Cb 0.43 -0.58 -0.05 0.00 0.53 0.00 0.00 43.42 43.75 2uwe n LEU 46 CO 0.57 -0.17 0.17 -1.48 -1.11 0.00 0.00 177.39 175.37 2uwe s LEU 47 N -7.41 0.38 0.18 -1.96 0.05 -1.07 -3.46 118.68 105.40 2uwe s LEU 47 Ca -0.21 -0.67 0.10 0.00 0.05 0.00 0.00 54.13 53.40 2uwe s LEU 47 Cb 0.05 1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 45.95 2uwe s LEU 47 CO 0.30 -1.02 -0.21 -0.54 -0.55 0.00 0.00 176.35 174.33 2uwe s LYS 48 N -3.92 1.38 0.00 1.48 1.02 -1.26 -1.44 119.74 116.99 2uwe s LYS 48 Ca 0.13 -1.46 0.29 0.00 0.02 0.00 0.00 55.97 54.96 2uwe s LYS 48 Cb 0.00 -1.54 1.35 0.00 -0.52 0.00 0.00 37.83 37.12 2uwe s LYS 48 CO -0.00 0.32 1.94 -1.13 -0.92 0.00 0.00 175.35 175.56 2uwe n SER 49 N 0.26 0.34 -4.61 2.83 3.41 -0.24 -4.53 113.62 111.08 2uwe n SER 49 Ca -0.13 -0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 57.67 2uwe n SER 49 Cb 0.57 -0.12 0.19 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.45 1.69 0.00 7.33 2.99 -1.26 -4.77 117.98 121.51 2uwe s PHE 50 Ca 0.30 1.43 0.00 0.00 0.00 0.00 0.00 56.93 58.67 2uwe s PHE 50 Cb 0.20 -3.20 0.00 0.00 0.00 0.00 0.00 43.02 40.02 2uwe s PHE 50 CO 0.46 -3.11 0.00 2.41 -0.00 0.00 0.00 175.22 174.98 2uwe n THR 51 N -4.41 0.00 0.00 0.64 -1.04 -1.26 -4.64 114.28 103.58 2uwe n THR 51 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2uwe n THR 51 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2uwe n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2uwe n ASP 52 N 0.00 0.00 0.00 8.00 -0.08 -1.26 -4.99 116.55 118.21 2uwe n ASP 52 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 2uwe n ASP 52 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 2uwe n ASP 52 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2uwe n ASN 53 N 0.63 0.00 0.00 1.67 5.03 -1.26 -4.82 115.26 116.51 2uwe n ASN 53 Ca 0.00 -0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2uwe n ASN 53 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2uwe n ASN 53 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 2uwe n LYS 54 N -0.71 0.00 0.00 3.52 2.85 -1.26 -4.97 118.16 117.59 2uwe n LYS 54 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2uwe n LYS 54 Cb 0.01 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.39 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 0.00 -2.62 -1.58 5.12 -1.26 -1.88 116.66 114.44 2uwe n ARG 55 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 2uwe n ARG 55 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 2uwe n ARG 55 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2uwe s PRO 56 N 0.00 2.52 0.00 5.56 0.04 -1.26 -4.36 135.00 137.50 2uwe s PRO 56 Ca 0.00 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.28 2uwe s PRO 56 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2uwe s PRO 56 CO 0.00 -0.75 0.00 -1.91 0.04 0.00 0.00 177.00 174.38 2uwe n GLU 57 N -2.37 0.00 0.00 4.56 2.13 -1.26 -4.74 120.64 118.96 2uwe n GLU 57 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2uwe n GLU 57 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2uwe n GLU 57 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2uwe n HIS 58 N 0.00 0.00 -3.80 4.31 -0.00 -1.22 -4.83 115.22 109.68 2uwe n HIS 58 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2uwe n HIS 58 Cb 0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.71 2uwe n HIS 58 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2uwe s GLN 59 N 0.00 0.97 0.00 1.57 -1.52 -1.26 -4.54 119.66 114.88 2uwe s GLN 59 Ca 0.00 -0.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 2uwe s GLN 59 Cb 0.00 -2.26 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 2uwe s GLN 59 CO 0.00 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.78 2uwe n GLY 61 N 4.90 0.97 3.76 3.09 0.00 -1.26 -4.93 105.19 111.72 2uwe n GLY 61 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.36 0.05 1.61 0.08 -1.26 -4.44 117.98 117.38 2uwe s PHE 62 Ca 0.00 1.58 -0.12 0.00 0.12 0.00 0.00 56.93 58.52 2uwe s PHE 62 Cb 0.00 -3.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.02 2uwe s PHE 62 CO 0.00 -1.08 0.26 -3.38 -0.10 0.00 0.00 175.22 170.92 2uwe s HIS 63 N -1.16 -0.03 -0.09 0.36 -3.43 -0.11 -4.36 115.29 106.48 2uwe s HIS 63 Ca 0.47 -0.18 -0.06 0.00 -0.80 0.00 0.00 55.06 54.49 2uwe s HIS 63 Cb -0.35 0.05 0.03 0.00 -1.43 0.00 0.00 32.58 30.88 2uwe s HIS 63 CO 0.46 -0.50 0.21 0.00 -2.00 0.00 0.00 174.74 172.91 2uwe s ALA 64 N -2.78 -0.49 -0.16 -1.38 0.00 -1.26 -0.70 121.76 114.99 2uwe s ALA 64 Ca -0.03 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 2uwe s ALA 64 Cb -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2uwe s ALA 64 CO -0.05 -0.15 -0.05 0.99 0.00 0.00 0.00 175.76 176.50 2uwe s THR 65 N 0.75 3.71 -0.24 0.00 2.01 -1.26 -4.16 115.64 116.45 2uwe s THR 65 Ca -0.05 -0.42 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 2uwe s THR 65 Cb -0.07 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 2uwe s THR 65 CO -0.04 0.49 0.74 -0.22 -0.69 0.00 0.00 174.62 174.89 2uwe s LEU 66 N 0.47 4.08 -0.51 4.42 2.96 -0.79 -4.23 118.68 125.09 2uwe s LEU 66 Ca -0.04 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 2uwe s LEU 66 Cb -0.15 -3.04 0.13 0.00 0.50 0.00 0.00 46.19 43.64 2uwe s LEU 66 CO 0.03 -0.44 0.33 -1.00 -1.32 0.00 0.00 176.35 173.95 2uwe s HIS 67 N 2.64 3.51 0.42 5.38 3.76 -0.20 -4.69 115.29 126.11 2uwe s HIS 67 Ca 0.31 -2.37 0.15 0.00 -0.15 0.00 0.00 55.06 53.00 2uwe s HIS 67 Cb -0.15 -3.30 0.97 0.00 1.11 0.00 0.00 32.58 31.20 2uwe s HIS 67 CO 0.08 -0.94 1.95 0.87 -0.85 0.00 0.00 174.74 175.85 2uwe h LYS 68 N 7.81 0.00 -0.65 1.40 1.57 -1.95 0.93 116.57 125.68 2uwe h LYS 68 Ca -0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2uwe h LYS 68 Cb 1.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 2uwe h LYS 68 CO 0.74 0.23 0.34 0.66 -0.57 0.00 0.00 179.45 180.85 2uwe h SER 69 N 0.00 0.83 -0.19 0.86 4.64 -1.97 -3.01 113.55 114.71 2uwe h SER 69 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2uwe h SER 69 Cb 0.43 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2uwe h SER 69 CO 0.03 0.70 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 2uwe n SER 70 N -4.51 2.59 -3.39 4.97 3.41 -1.16 -5.01 113.62 110.52 2uwe n SER 70 Ca 0.05 -1.76 -0.17 0.00 -0.26 0.00 0.00 58.87 56.73 2uwe n SER 70 Cb 0.11 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.79 -3.28 -4.43 4.04 7.64 0.17 -4.88 113.62 113.67 2uwe n SER 71 Ca 0.11 -0.65 -0.31 0.00 1.01 0.00 0.00 58.87 59.03 2uwe n SER 71 Cb 0.40 -5.13 -0.14 0.00 -1.01 0.00 0.00 64.21 58.33 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 -4.10 3.69 -0.39 6.43 0.01 -0.33 -2.54 113.70 116.47 2uwe s SER 72 Ca 0.13 -0.37 0.11 0.00 1.31 0.00 0.00 55.95 57.13 2uwe s SER 72 Cb -0.02 -0.62 0.35 0.00 0.21 0.00 0.00 66.02 65.95 2uwe s SER 72 CO 0.73 0.30 0.88 0.33 0.41 0.00 0.00 173.24 175.89 2uwe n PHE 73 N 1.99 -0.66 -2.42 2.43 7.35 0.16 -1.03 117.46 125.28 2uwe n PHE 73 Ca -0.16 -3.20 -0.41 0.00 -0.76 0.00 0.00 57.45 52.92 2uwe n PHE 73 Cb 0.52 0.21 -0.04 0.00 0.35 0.00 0.00 39.48 40.52 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 -1.66 3.50 -0.09 -5.13 3.76 -1.26 -4.34 115.29 110.06 2uwe s HIS 74 Ca 0.33 1.61 -0.25 0.00 -0.15 0.00 0.00 55.06 56.60 2uwe s HIS 74 Cb 0.35 -3.35 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2uwe s HIS 74 CO -0.06 -0.81 0.79 -1.17 -0.85 0.00 0.00 174.74 172.64 2uwe s LEU 75 N -1.18 4.28 0.11 0.89 2.96 0.28 -4.08 118.68 121.94 2uwe s LEU 75 Ca 0.47 1.27 0.06 0.00 -0.22 0.00 0.00 54.13 55.70 2uwe s LEU 75 Cb -0.33 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2uwe s LEU 75 CO 0.41 -0.24 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.96 2uwe s GLN 76 N 1.29 0.99 -0.17 1.98 -0.21 0.13 -1.01 119.66 122.66 2uwe s GLN 76 Ca 0.40 -1.19 -0.24 0.00 0.02 0.00 0.00 55.36 54.36 2uwe s GLN 76 Cb -0.18 -0.90 0.06 0.00 1.00 0.00 0.00 33.01 32.99 2uwe s GLN 76 CO 0.18 0.18 0.62 0.21 -2.12 0.00 0.00 175.29 174.35 2uwe s LYS 77 N -2.51 0.81 0.04 2.91 2.20 -1.13 -0.93 119.74 121.14 2uwe s LYS 77 Ca 0.07 0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 56.09 2uwe s LYS 77 Cb -0.06 0.39 -0.14 0.00 -1.51 0.00 0.00 37.83 36.51 2uwe s LYS 77 CO 0.03 -0.16 1.44 0.77 -0.36 0.00 0.00 175.35 177.07 2uwe h SER 78 N 4.49 0.21 -3.04 1.43 0.02 -1.89 -0.22 113.55 114.55 2uwe h SER 78 Ca -0.28 -0.35 -0.48 0.00 -0.84 0.00 0.00 61.79 59.84 2uwe h SER 78 Cb 1.16 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 63.24 2uwe h SER 78 CO 0.20 0.51 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.10 2uwe s SER 79 N -5.77 2.66 0.31 3.07 0.15 -1.26 -3.05 113.70 109.82 2uwe s SER 79 Ca -0.14 -0.78 -0.29 0.00 0.70 0.00 0.00 55.95 55.44 2uwe s SER 79 Cb 0.05 -0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 63.94 2uwe s SER 79 CO 0.71 -0.36 1.28 0.00 1.20 0.00 0.00 173.24 176.07 2uwe s ALA 80 N 2.08 3.49 0.30 5.45 0.00 -0.11 -4.76 121.76 128.21 2uwe s ALA 80 Ca 0.03 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.30 2uwe s ALA 80 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2uwe s ALA 80 CO -0.14 -0.57 -0.14 1.14 0.00 0.00 0.00 175.76 176.05 2uwe s GLN 81 N -1.60 1.80 0.52 0.00 -2.07 -1.26 -0.45 119.66 116.60 2uwe s GLN 81 Ca 0.49 -1.79 0.20 0.00 -1.82 0.00 0.00 55.36 52.44 2uwe s GLN 81 Cb -0.38 -1.80 1.34 0.00 -1.09 0.00 0.00 33.01 31.08 2uwe s GLN 81 CO 0.50 0.26 2.13 -0.07 -1.32 0.00 0.00 175.29 176.79 2uwe h LEU 82 N 2.13 0.00 -1.14 2.60 4.07 -1.94 -1.21 115.31 119.82 2uwe h LEU 82 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2uwe h LEU 82 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2uwe h LEU 82 CO 0.63 0.06 0.00 0.77 -1.08 0.00 0.00 178.44 178.82 2uwe h SER 83 N 0.00 0.00 0.46 -0.43 4.64 -1.96 -2.96 113.55 113.30 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 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2uwe h SER 83 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 2uwe n ASP 84 N -2.94 0.00 -4.58 4.97 8.00 -0.46 -4.72 116.55 116.82 2uwe n ASP 84 Ca 0.01 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 2uwe n ASP 84 Cb 0.32 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.78 5.34 0.35 -2.24 0.01 -1.12 -4.88 113.70 108.38 2uwe s SER 85 Ca 0.13 1.41 -0.17 0.00 1.31 0.00 0.00 55.95 58.63 2uwe s SER 85 Cb 0.12 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.89 2uwe s SER 85 CO 0.29 -2.13 0.82 0.00 0.41 0.00 0.00 173.24 172.64 2uwe s ALA 86 N 8.83 -0.91 -0.18 1.44 0.00 -1.03 -4.72 121.76 125.18 2uwe s ALA 86 Ca 0.91 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2uwe s ALA 86 Cb -0.25 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 2uwe s ALA 86 CO 0.31 -1.00 0.21 -1.17 0.00 0.00 0.00 175.76 174.11 2uwe s LEU 87 N -3.11 4.22 -0.16 0.00 2.96 0.15 -0.50 118.68 122.25 2uwe s LEU 87 Ca 0.16 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2uwe s LEU 87 Cb -0.05 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.42 2uwe s LEU 87 CO 0.10 0.14 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.80 2uwe s TYR 88 N 0.42 2.78 -0.22 5.38 1.51 -0.54 -0.26 117.35 126.43 2uwe s TYR 88 Ca 0.12 -1.15 -0.07 0.00 -1.01 0.00 0.00 57.07 54.96 2uwe s TYR 88 Cb -0.12 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2uwe s TYR 88 CO 0.01 -0.54 0.05 0.71 -1.11 0.00 0.00 175.55 174.67 2uwe s TYR 89 N 0.92 3.13 0.03 2.71 1.51 0.17 -0.95 117.35 124.86 2uwe s TYR 89 Ca -0.03 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 55.59 2uwe s TYR 89 Cb -0.15 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2uwe s TYR 89 CO -0.02 -0.15 0.56 0.00 -1.11 0.00 0.00 175.55 174.83 2uwe s ALA 91 N -0.69 0.68 -0.20 0.00 0.00 0.16 -0.80 121.76 120.91 2uwe s ALA 91 Ca 0.29 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 2uwe s ALA 91 Cb -0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2uwe s ALA 91 CO 0.17 0.14 -0.00 -1.17 0.00 0.00 0.00 175.76 174.90 2uwe s LEU 92 N -0.48 3.21 -0.41 0.00 2.96 0.87 -0.80 118.68 124.03 2uwe s LEU 92 Ca 0.01 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 2uwe s LEU 92 Cb -0.04 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.85 2uwe s LEU 92 CO -0.00 0.05 0.49 0.12 -1.32 0.00 0.00 176.35 175.69 2uwe s PHE 93 N 1.08 3.15 -0.35 5.38 5.36 -0.55 0.74 117.98 132.79 2uwe s PHE 93 Ca 0.02 -0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 55.68 2uwe s PHE 93 Cb -0.14 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 2uwe s PHE 93 CO 0.01 -0.70 0.21 -0.51 -1.46 0.00 0.00 175.22 172.78 2uwe s LEU 96 N 2.33 4.51 0.00 6.12 1.43 0.10 -4.50 118.68 128.67 2uwe s LEU 96 Ca 0.16 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2uwe s LEU 96 Cb -0.16 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2uwe s LEU 96 CO 0.15 -0.29 0.50 0.00 0.23 0.00 0.00 176.35 176.94 2uwe n ALA 97 N 5.05 1.53 -0.01 4.21 0.00 -1.26 -1.37 120.51 128.65 2uwe n ALA 97 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 2uwe n ALA 97 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.05 -0.00 0.00 0.02 -1.95 -3.42 113.55 108.15 2uwe h SER 98 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2uwe h SER 98 Cb 1.10 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2uwe h SER 98 CO 0.00 0.29 -0.61 -1.54 -1.14 0.00 0.00 176.83 173.82 2uwe n SER 99 N -3.96 0.70 -4.39 3.07 3.41 -1.26 -5.01 113.62 106.18 2uwe n SER 99 Ca -0.01 -0.85 -0.20 0.00 -0.26 0.00 0.00 58.87 57.55 2uwe n SER 99 Cb 0.02 0.96 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 2uwe n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2uwe s SER 100 N -2.23 2.63 0.26 4.04 1.04 -1.26 -5.11 113.70 113.06 2uwe s SER 100 Ca 0.06 -1.14 -0.31 0.00 0.48 0.00 0.00 55.95 55.04 2uwe s SER 100 Cb 0.10 -0.14 -0.12 0.00 0.10 0.00 0.00 66.02 65.96 2uwe s SER 100 CO 0.54 -0.30 1.64 0.33 0.98 0.00 0.00 173.24 176.42 2uwe n PHE 101 N -0.51 2.80 -1.44 5.02 7.35 -1.26 -4.07 117.46 125.34 2uwe n PHE 101 Ca -0.06 0.19 -0.59 0.00 -0.76 0.00 0.00 57.45 56.23 2uwe n PHE 101 Cb 0.62 -2.62 -0.10 0.00 0.35 0.00 0.00 39.48 37.74 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 2.77 1.38 -3.89 -2.13 7.64 -1.25 -4.71 113.62 113.44 2uwe n SER 102 Ca 0.11 0.76 -0.11 0.00 1.01 0.00 0.00 58.87 60.64 2uwe n SER 102 Cb 0.36 -1.02 -0.11 0.00 -1.01 0.00 0.00 64.21 62.43 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 5.21 0.29 -0.12 1.43 -2.85 -0.47 -5.01 119.74 118.22 2uwe s LYS 103 Ca 1.12 -0.27 -0.20 0.00 -1.00 0.00 0.00 55.97 55.62 2uwe s LYS 103 Cb -1.29 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 34.56 2uwe s LYS 103 CO 0.65 -0.06 0.56 -0.51 0.10 0.00 0.00 175.35 176.09 2uwe s LEU 104 N -0.88 4.26 -0.41 2.77 1.43 -1.26 -0.73 118.68 123.86 2uwe s LEU 104 Ca -0.10 0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 2uwe s LEU 104 Cb -0.06 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2uwe s LEU 104 CO 0.00 -0.08 0.25 -0.69 0.23 0.00 0.00 176.35 176.06 2uwe s VAL 105 N 0.94 4.45 0.33 -1.59 1.01 0.23 -4.92 120.40 120.85 2uwe s VAL 105 Ca 0.29 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2uwe s VAL 105 Cb -0.16 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2uwe s VAL 105 CO 0.12 -0.42 0.80 -0.36 0.00 0.00 0.00 175.10 175.24 2uwe s PHE 106 N 1.49 3.42 0.25 5.22 0.08 -1.26 -0.09 117.98 127.09 2uwe s PHE 106 Ca 0.03 1.38 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 2uwe s PHE 106 Cb -0.22 -2.65 0.06 0.00 -0.57 0.00 0.00 43.02 39.64 2uwe s PHE 106 CO 0.04 0.09 0.34 0.41 -0.10 0.00 0.00 175.22 176.00 2uwe n GLY 107 N -0.20 -1.06 0.26 4.36 0.00 0.02 -4.84 105.19 103.72 2uwe n GLY 107 Ca 0.03 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.46 115.11 112.45 2uwe h GLN 108 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2uwe h GLN 108 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2uwe h GLN 108 CO 0.08 0.05 0.00 0.41 -0.95 0.00 0.00 178.83 178.42 2uwe n GLY 109 N 0.25 -0.66 3.12 3.46 0.00 -1.26 -5.02 105.19 105.09 2uwe n GLY 109 Ca 0.01 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.40 2.01 -0.16 2.61 2.01 -0.12 -4.66 115.64 114.93 2uwe s THR 110 Ca 0.00 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 2uwe s THR 110 Cb 0.00 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 2uwe s THR 110 CO 0.00 0.53 1.03 -0.44 -0.69 0.00 0.00 174.62 175.05 2uwe s SER 111 N 1.17 7.18 -0.19 3.53 0.01 -1.09 -1.47 113.70 122.84 2uwe s SER 111 Ca 0.01 1.48 -0.08 0.00 1.31 0.00 0.00 55.95 58.67 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 -0.10 -0.54 0.09 -0.22 0.41 0.00 0.00 173.24 172.88 2uwe s LEU 112 N 2.52 3.97 -0.28 2.44 2.96 0.35 -0.76 118.68 129.87 2uwe s LEU 112 Ca 0.47 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2uwe s LEU 112 Cb -0.17 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.58 2uwe s LEU 112 CO 0.13 0.18 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.76 2uwe s SER 113 N 0.33 4.36 -0.26 3.68 0.15 0.29 -2.47 113.70 119.78 2uwe s SER 113 Ca 0.05 -1.57 -0.18 0.00 0.70 0.00 0.00 55.95 54.95 2uwe s SER 113 Cb -0.12 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 2uwe s SER 113 CO -0.01 -0.27 0.51 -0.69 1.20 0.00 0.00 173.24 173.98 2uwe s VAL 114 N 1.15 5.07 0.03 4.45 1.01 -1.26 -0.76 120.40 130.09 2uwe s VAL 114 Ca -0.01 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2uwe s VAL 114 Cb -0.19 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2uwe s VAL 114 CO -0.07 0.09 0.06 0.68 0.00 0.00 0.00 175.10 175.85 2uwe s VAL 115 N 2.29 4.50 0.52 2.92 -7.23 0.99 -4.76 120.40 119.63 2uwe s VAL 115 Ca 0.21 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.60 2uwe s VAL 115 Cb -0.16 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.63 2uwe s VAL 115 CO 0.09 0.28 1.05 -2.84 -0.31 0.00 0.00 175.10 173.37 2uwe s PRO 116 N -1.91 3.62 -0.75 4.82 0.02 -1.26 -0.91 135.00 138.62 2uwe s PRO 116 Ca 0.24 1.31 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 2uwe s PRO 116 Cb -0.12 -2.07 0.07 0.00 0.02 0.00 0.00 34.50 32.40 2uwe s PRO 116 CO 0.16 -0.57 1.10 1.21 -0.33 0.00 0.00 177.00 178.57 2uwe s ASN 117 N -2.26 6.27 -0.40 2.53 3.84 -1.26 -4.56 114.94 119.10 2uwe s ASN 117 Ca 0.66 -1.09 -0.28 0.00 0.21 0.00 0.00 52.86 52.36 2uwe s ASN 117 Cb -0.16 -2.46 -0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2uwe s ASN 117 CO 0.26 -1.47 1.59 -0.63 -2.79 0.00 0.00 177.10 174.06 2uwe s ILE 118 N 4.29 3.69 0.08 -5.21 -1.09 -1.26 -4.89 121.20 116.82 2uwe s ILE 118 Ca 0.29 0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 59.31 2uwe s ILE 118 Cb -0.11 -3.99 -0.26 0.00 -1.58 0.00 0.00 42.46 36.52 2uwe s ILE 118 CO 0.06 -0.67 1.17 -0.61 -1.23 0.00 0.00 174.94 173.67 2uwe h GLN 119 N 11.82 0.47 -2.79 2.79 4.15 -1.97 -3.39 115.11 126.20 2uwe h GLN 119 Ca -0.30 -0.63 -0.61 0.00 0.77 0.00 0.00 58.65 57.89 2uwe h GLN 119 Cb 1.13 0.21 -0.40 0.00 0.21 0.00 0.00 27.48 28.63 2uwe h GLN 119 CO 1.08 1.26 -0.75 -0.80 -1.93 0.00 0.00 178.83 177.69 2uwe s ASN 120 N -7.26 3.36 0.30 -0.69 0.01 -1.26 -5.11 114.94 104.28 2uwe s ASN 120 Ca -0.07 -3.45 -0.29 0.00 -0.71 0.00 0.00 52.86 48.34 2uwe s ASN 120 Cb 0.07 -1.11 -0.10 0.00 0.41 0.00 0.00 41.25 40.52 2uwe s ASN 120 CO 0.90 -0.13 1.29 -2.84 -1.51 0.00 0.00 177.10 174.81 2uwe s PRO 121 N -0.71 4.39 -0.45 -0.60 0.02 -1.26 -4.99 135.00 131.40 2uwe s PRO 121 Ca 0.28 2.14 0.08 0.00 0.02 0.00 0.00 61.00 63.51 2uwe s PRO 121 Cb -0.03 -3.11 0.26 0.00 0.02 0.00 0.00 34.50 31.64 2uwe s PRO 121 CO -0.17 -0.16 0.60 0.39 -0.33 0.00 0.00 177.00 177.33 2uwe n GLU 122 N 1.26 1.22 -1.72 5.54 1.02 0.54 -5.02 120.64 123.47 2uwe n GLU 122 Ca 0.01 -3.62 -0.42 0.00 -0.02 0.00 0.00 57.16 53.12 2uwe n GLU 122 Cb 0.42 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 2uwe n GLU 122 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2uwe n PRO 123 N 1.15 2.73 -3.70 3.49 -0.02 -1.14 -4.59 135.00 132.92 2uwe n PRO 123 Ca 0.24 0.98 -0.12 0.00 -2.02 0.00 0.00 63.50 62.58 2uwe n PRO 123 Cb 0.51 -2.81 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 2uwe n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uwe s ALA 124 N 0.83 -1.19 -0.21 3.55 0.00 -0.93 -5.00 121.76 118.81 2uwe s ALA 124 Ca 0.72 1.47 -0.07 0.00 0.00 0.00 0.00 51.96 54.08 2uwe s ALA 124 Cb -0.51 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2uwe s ALA 124 CO 0.37 -0.25 0.05 0.08 0.00 0.00 0.00 175.76 176.01 2uwe s VAL 125 N 0.66 4.39 0.13 0.00 1.01 -1.26 -1.67 120.40 123.66 2uwe s VAL 125 Ca -0.03 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.89 2uwe s VAL 125 Cb -0.05 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2uwe s VAL 125 CO -0.04 0.41 -0.24 -0.31 0.00 0.00 0.00 175.10 174.92 2uwe s TYR 126 N 0.95 2.39 -0.15 5.22 1.51 0.54 -4.95 117.35 122.86 2uwe s TYR 126 Ca 0.03 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2uwe s TYR 126 Cb -0.14 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 2uwe s TYR 126 CO 0.03 0.37 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.69 2uwe s GLN 127 N -2.14 3.65 0.07 -0.62 0.74 -1.26 0.08 119.66 120.18 2uwe s GLN 127 Ca 0.16 -0.45 0.10 0.00 0.05 0.00 0.00 55.36 55.21 2uwe s GLN 127 Cb -0.10 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 2uwe s GLN 127 CO 0.08 0.33 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.38 2uwe s LEU 128 N 0.15 2.22 0.05 3.68 1.43 0.13 -4.96 118.68 121.38 2uwe s LEU 128 Ca 0.01 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2uwe s LEU 128 Cb -0.13 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2uwe s LEU 128 CO 0.02 0.22 -0.15 -0.54 0.23 0.00 0.00 176.35 176.13 2uwe s LYS 129 N -1.50 2.15 -0.44 1.70 1.02 -1.26 -0.42 119.74 120.98 2uwe s LYS 129 Ca 0.12 -0.95 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 2uwe s LYS 129 Cb -0.10 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2uwe s LYS 129 CO 0.03 0.54 0.54 0.34 -0.92 0.00 0.00 175.35 175.89 2uwe s ASP 132 N -1.58 6.24 0.54 2.83 2.15 -0.56 -4.97 116.67 121.33 2uwe s ASP 132 Ca 0.16 -0.62 0.31 0.00 0.43 0.00 0.00 52.55 52.84 2uwe s ASP 132 Cb -0.11 -2.27 1.49 0.00 -0.30 0.00 0.00 42.92 41.74 2uwe s ASP 132 CO 0.07 -0.71 2.05 -0.65 -0.17 0.00 0.00 175.17 175.77 2uwe h PRO 133 N 8.83 0.00 0.00 4.34 0.11 -1.99 -2.77 132.00 140.52 2uwe h PRO 133 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2uwe h PRO 133 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2uwe h PRO 133 CO 0.86 0.09 -0.17 0.00 -0.21 0.00 0.00 178.00 178.57 2uwe h ARG 134 N 0.00 0.00 -6.29 1.05 2.47 -1.98 -3.45 114.38 106.18 2uwe h ARG 134 Ca -0.00 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.05 2uwe h ARG 134 Cb 0.40 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.57 2uwe h ARG 134 CO 0.01 0.06 -0.68 -1.12 0.56 0.00 0.00 179.97 178.80 2uwe s SER 135 N -6.15 4.79 -0.09 7.04 0.01 -1.05 -5.10 113.70 113.16 2uwe s SER 135 Ca 0.06 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2uwe s SER 135 Cb 0.06 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 2uwe s SER 135 CO 0.69 0.26 1.15 -1.58 0.41 0.00 0.00 173.24 174.17 2uwe s GLN 136 N -1.67 4.35 -1.54 12.44 2.00 -1.26 -4.00 119.66 129.98 2uwe s GLN 136 Ca 0.19 1.58 -0.04 0.00 -2.00 0.00 0.00 55.36 55.10 2uwe s GLN 136 Cb -0.11 -3.58 0.01 0.00 0.80 0.00 0.00 33.01 30.12 2uwe s GLN 136 CO 0.10 -0.46 0.39 -3.47 -0.50 0.00 0.00 175.29 171.36 2uwe n ASP 137 N 5.40 -5.58 -4.54 6.67 2.03 -1.26 -4.98 116.55 114.30 2uwe n ASP 137 Ca 0.11 -0.19 -0.40 0.00 0.52 0.00 0.00 54.79 54.82 2uwe n ASP 137 Cb 0.47 -4.57 -0.10 0.00 -0.72 0.00 0.00 41.12 36.20 2uwe n ASP 137 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2uwe s SER 138 N -2.49 6.13 0.28 1.67 0.15 -1.26 -5.07 113.70 113.12 2uwe s SER 138 Ca 0.22 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.64 2uwe s SER 138 Cb -0.10 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 61.98 2uwe s SER 138 CO 0.27 -0.28 0.00 0.42 1.20 0.00 0.00 173.24 174.85 2uwe s THR 139 N 1.90 1.29 -0.16 6.45 -4.23 -1.26 -1.49 115.64 118.13 2uwe s THR 139 Ca 0.10 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.38 2uwe s THR 139 Cb -0.17 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.16 2uwe s THR 139 CO 0.11 -0.19 0.48 -0.22 -0.54 0.00 0.00 174.62 174.26 2uwe s LEU 140 N -3.42 0.18 -0.10 4.79 2.96 0.43 -4.70 118.68 118.83 2uwe s LEU 140 Ca 0.32 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2uwe s LEU 140 Cb 0.06 1.66 -0.03 0.00 0.50 0.00 0.00 46.19 48.38 2uwe s LEU 140 CO 0.12 -0.21 0.00 0.00 -1.32 0.00 0.00 176.35 174.94 2uwe s LEU 142 N -0.70 2.01 -0.28 0.00 2.96 0.11 -1.48 118.68 121.31 2uwe s LEU 142 Ca 0.11 -0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 2uwe s LEU 142 Cb -0.12 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 2uwe s LEU 142 CO 0.02 -0.16 0.29 0.12 -1.32 0.00 0.00 176.35 175.30 2uwe s PHE 143 N 1.49 3.23 0.07 5.38 5.36 -0.30 -0.34 117.98 132.87 2uwe s PHE 143 Ca -0.00 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 2uwe s PHE 143 Cb -0.16 -2.49 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 2uwe s PHE 143 CO -0.08 -0.21 0.01 -0.08 -1.46 0.00 0.00 175.22 173.39 2uwe s THR 144 N 1.92 0.19 -1.48 0.12 -1.32 -0.67 -0.92 115.64 113.48 2uwe s THR 144 Ca 0.11 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2uwe s THR 144 Cb -0.16 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.23 2uwe s THR 144 CO 0.11 -0.87 0.00 0.47 -2.21 0.00 0.00 174.62 172.12 2uwe n ASP 145 N 0.06 -5.05 -4.88 8.08 8.00 -0.58 -2.18 116.55 120.00 2uwe n ASP 145 Ca -0.13 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 2uwe n ASP 145 Cb 0.62 -4.14 0.06 0.00 -0.02 0.00 0.00 41.12 37.64 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 -2.85 2.36 0.57 1.24 -0.71 -1.26 -0.34 117.98 116.98 2uwe s PHE 146 Ca 0.00 -0.14 -0.17 0.00 -1.04 0.00 0.00 56.93 55.58 2uwe s PHE 146 Cb 0.00 -2.80 -0.05 0.00 -1.21 0.00 0.00 43.02 38.96 2uwe s PHE 146 CO 0.00 -1.17 1.05 0.34 -1.34 0.00 0.00 175.22 174.10 2uwe s ASP 147 N -4.54 5.95 0.00 1.98 2.15 -1.26 -4.52 116.67 116.43 2uwe s ASP 147 Ca 0.61 1.83 0.23 0.00 0.43 0.00 0.00 52.55 55.65 2uwe s ASP 147 Cb -0.08 -2.54 1.01 0.00 -0.30 0.00 0.00 42.92 41.01 2uwe s ASP 147 CO 0.40 -1.05 1.75 -1.20 -0.17 0.00 0.00 175.17 174.91 2uwe n SER 148 N -1.78 0.00 0.03 -0.34 7.64 -1.26 -3.52 113.62 114.39 2uwe n SER 148 Ca 0.09 0.47 0.11 0.00 1.01 0.00 0.00 58.87 60.55 2uwe n SER 148 Cb 0.53 -0.49 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2uwe n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2uwe n GLN 149 N -1.49 0.29 -2.58 1.43 1.13 -1.26 -4.93 117.38 109.97 2uwe n GLN 149 Ca 0.06 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.80 2uwe n GLN 149 Cb 0.27 -1.60 -0.04 0.00 0.11 0.00 0.00 30.24 28.98 2uwe n GLN 149 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2uwe s ILE 150 N -3.20 4.57 -0.13 5.09 -4.36 -1.23 -5.06 121.20 116.89 2uwe s ILE 150 Ca 0.04 1.13 -0.15 0.00 -0.26 0.00 0.00 60.65 61.41 2uwe s ILE 150 Cb 0.14 -3.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 2uwe s ILE 150 CO 0.80 -0.58 0.34 0.20 0.24 0.00 0.00 174.94 175.94 2uwe s ASN 151 N -2.92 6.54 -0.10 4.36 0.01 -1.26 -5.03 114.94 116.54 2uwe s ASN 151 Ca 0.58 0.63 -0.20 0.00 -0.71 0.00 0.00 52.86 53.16 2uwe s ASN 151 Cb -0.10 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 2uwe s ASN 151 CO 0.28 0.12 0.54 -0.69 -1.51 0.00 0.00 177.10 175.84 2uwe s VAL 152 N 0.24 5.14 0.62 1.60 1.01 -1.26 -4.86 120.40 122.89 2uwe s VAL 152 Ca 0.19 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 2uwe s VAL 152 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2uwe s VAL 152 CO 0.06 0.31 1.10 -2.84 0.00 0.00 0.00 175.10 173.74 2uwe s PRO 153 N 0.63 3.02 0.42 2.72 0.02 -1.26 -5.03 135.00 135.52 2uwe s PRO 153 Ca 0.29 1.41 0.08 0.00 0.02 0.00 0.00 61.00 62.80 2uwe s PRO 153 Cb -0.16 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.38 2uwe s PRO 153 CO 0.13 -1.08 0.47 0.15 -0.33 0.00 0.00 177.00 176.34 2uwe s LYS 154 N -3.91 2.65 0.21 5.54 -0.14 -1.26 -4.88 119.74 117.95 2uwe s LYS 154 Ca 0.68 -1.42 -0.31 0.00 -1.36 0.00 0.00 55.97 53.56 2uwe s LYS 154 Cb -0.20 -2.54 -0.10 0.00 -1.68 0.00 0.00 37.83 33.30 2uwe s LYS 154 CO 0.37 -0.25 1.53 0.95 -0.76 0.00 0.00 175.35 177.19 2uwe s THR 155 N -2.43 2.57 -0.03 2.17 -4.23 -1.26 -4.91 115.64 107.52 2uwe s THR 155 Ca 0.51 0.44 0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2uwe s THR 155 Cb -0.06 -3.28 -0.17 0.00 1.34 0.00 0.00 72.50 70.33 2uwe s THR 155 CO 0.30 0.05 0.22 1.15 -0.54 0.00 0.00 174.62 175.81 2uwe n MET 156 N 3.24 0.63 -4.39 3.99 0.00 -1.26 -5.04 117.12 114.29 2uwe n MET 156 Ca 0.11 -0.09 -0.32 0.00 0.00 0.00 0.00 57.70 57.40 2uwe n MET 156 Cb 0.39 -1.28 -0.10 0.00 0.00 0.00 0.00 33.22 32.23 2uwe n MET 156 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2uwe s GLU 157 N -2.73 2.50 0.30 3.17 0.41 -1.26 -5.11 118.70 115.98 2uwe s GLU 157 Ca -0.04 -0.77 -0.29 0.00 -0.41 0.00 0.00 54.97 53.46 2uwe s GLU 157 Cb 0.07 -2.48 -0.09 0.00 -1.78 0.00 0.00 34.13 29.84 2uwe s GLU 157 CO 0.48 0.58 1.11 -1.54 -0.49 0.00 0.00 175.26 175.40 2uwe s SER 158 N -1.61 7.14 0.00 -0.19 1.04 -1.26 -3.37 113.70 115.45 2uwe s SER 158 Ca 0.18 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.90 2uwe s SER 158 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2uwe s SER 158 CO 0.09 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2uwe n GLY 159 N 1.05 2.78 3.74 7.32 0.00 -1.26 -4.94 105.19 113.87 2uwe n GLY 159 Ca -0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.83 5.34 -0.04 2.61 2.01 -1.22 -2.83 115.64 119.69 2uwe s THR 160 Ca 0.00 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.48 2uwe s THR 160 Cb 0.00 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 2uwe s THR 160 CO 0.00 0.42 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.84 2uwe s PHE 161 N 0.33 1.47 -0.06 4.92 0.40 0.22 -4.68 117.98 120.58 2uwe s PHE 161 Ca 0.14 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 2uwe s PHE 161 Cb -0.12 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.41 2uwe s PHE 161 CO 0.02 -0.14 -0.16 0.42 0.70 0.00 0.00 175.22 176.07 2uwe s ILE 162 N 0.06 1.38 0.56 0.64 1.01 -1.26 -1.39 121.20 122.20 2uwe s ILE 162 Ca -0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 2uwe s ILE 162 Cb -0.10 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2uwe s ILE 162 CO 0.01 0.40 0.90 0.42 0.00 0.00 0.00 174.94 176.68 2uwe s THR 163 N 0.35 4.39 0.68 2.92 -4.23 -0.17 -4.72 115.64 114.85 2uwe s THR 163 Ca -0.11 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 2uwe s THR 163 Cb -0.14 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2uwe s THR 163 CO 0.04 -0.79 1.07 -1.81 -0.54 0.00 0.00 174.62 172.59 2uwe s ASP 164 N -4.20 5.29 0.35 3.99 1.01 -1.26 -4.51 116.67 117.33 2uwe s ASP 164 Ca 0.52 1.77 -0.28 0.00 0.71 0.00 0.00 52.55 55.27 2uwe s ASP 164 Cb -0.11 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 2uwe s ASP 164 CO 0.48 -1.51 1.34 -1.59 0.21 0.00 0.00 175.17 174.10 2uwe s LYS 165 N -4.59 4.28 0.22 8.23 -2.85 -1.26 -4.73 119.74 119.04 2uwe s LYS 165 Ca 0.62 2.28 0.11 0.00 -1.00 0.00 0.00 55.97 57.97 2uwe s LYS 165 Cb -0.16 -3.02 -0.05 0.00 -2.06 0.00 0.00 37.83 32.54 2uwe s LYS 165 CO 0.48 -0.28 -0.21 0.95 0.10 0.00 0.00 175.35 176.39 2uwe s THR 166 N -1.15 2.25 -0.22 3.79 -4.23 0.08 -4.92 115.64 111.25 2uwe s THR 166 Ca 0.50 -2.16 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 2uwe s THR 166 Cb -0.41 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2uwe s THR 166 CO 0.55 -0.29 0.08 -0.69 -0.54 0.00 0.00 174.62 173.73 2uwe s VAL 167 N -2.13 4.74 -0.13 2.29 1.01 -1.26 -1.06 120.40 123.85 2uwe s VAL 167 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 2uwe s VAL 167 Cb -0.06 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2uwe s VAL 167 CO 0.11 0.39 -0.01 -0.22 0.00 0.00 0.00 175.10 175.37 2uwe s LEU 168 N 0.92 3.42 -0.25 3.92 0.20 0.72 -4.93 118.68 122.68 2uwe s LEU 168 Ca 0.05 -0.02 -0.00 0.00 0.69 0.00 0.00 54.13 54.85 2uwe s LEU 168 Cb -0.14 -1.81 0.04 0.00 -0.43 0.00 0.00 46.19 43.85 2uwe s LEU 168 CO 0.03 0.24 -0.08 -0.62 -0.29 0.00 0.00 176.35 175.63 2uwe s ASP 169 N -0.05 4.33 -0.34 3.68 2.15 -1.26 -0.26 116.67 124.91 2uwe s ASP 169 Ca 0.03 -1.05 -0.19 0.00 0.43 0.00 0.00 52.55 51.76 2uwe s ASP 169 Cb -0.13 -1.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.86 2uwe s ASP 169 CO 0.02 -0.15 0.57 -0.04 -0.17 0.00 0.00 175.17 175.40 2uwe s MET 170 N 1.25 3.70 0.00 4.34 -1.94 -1.08 -4.91 119.30 120.67 2uwe s MET 170 Ca -0.03 -0.00 0.04 0.00 -1.71 0.00 0.00 55.69 53.99 2uwe s MET 170 Cb -0.18 -3.79 0.21 0.00 2.01 0.00 0.00 34.83 33.08 2uwe s MET 170 CO -0.05 -0.66 0.90 1.63 -0.01 0.00 0.00 175.02 176.84 2uwe n LYS 171 N 5.87 0.07 -1.72 2.03 4.01 -1.26 -3.67 118.16 123.49 2uwe n LYS 171 Ca -0.03 0.20 -0.43 0.00 -0.51 0.00 0.00 58.31 57.54 2uwe n LYS 171 Cb 0.49 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.49 2uwe n LYS 171 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2uwe n ALA 172 N -1.23 1.87 -1.25 7.82 0.00 -1.26 -4.74 120.51 121.73 2uwe n ALA 172 Ca 0.02 0.38 -0.51 0.00 0.00 0.00 0.00 53.44 53.34 2uwe n ALA 172 Cb 0.03 -2.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.03 2uwe n ALA 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2uwe n MET 173 N 1.77 0.00 -3.44 0.00 2.81 -1.26 -3.45 117.12 113.55 2uwe n MET 173 Ca 0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.67 2uwe n MET 173 Cb 0.35 -1.15 0.03 0.00 -0.71 0.00 0.00 33.22 31.74 2uwe n MET 173 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2uwe n ASP 174 N 3.74 -5.73 -3.17 7.83 8.00 -1.26 -4.99 116.55 120.96 2uwe n ASP 174 Ca 0.28 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.56 2uwe n ASP 174 Cb -0.04 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.12 39.42 2uwe n ASP 174 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2uwe n SER 175 N 0.17 1.05 -4.66 -2.24 7.64 -1.22 -5.05 113.62 109.30 2uwe n SER 175 Ca -0.07 -3.02 -0.43 0.00 1.01 0.00 0.00 58.87 56.36 2uwe n SER 175 Cb 0.64 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 2uwe n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2uwe s LYS 176 N -2.35 4.26 -0.22 1.43 -0.14 -1.26 -2.62 119.74 118.85 2uwe s LYS 176 Ca 0.40 1.50 0.02 0.00 -1.36 0.00 0.00 55.97 56.53 2uwe s LYS 176 Cb 0.32 -3.68 0.05 0.00 -1.68 0.00 0.00 37.83 32.83 2uwe s LYS 176 CO -0.09 -0.64 -0.13 0.45 -0.76 0.00 0.00 175.35 174.18 2uwe s SER 177 N 1.53 3.81 0.29 2.83 0.15 0.64 -4.94 113.70 118.01 2uwe s SER 177 Ca 0.49 -1.06 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 2uwe s SER 177 Cb -0.18 -1.43 -0.10 0.00 -1.71 0.00 0.00 66.02 62.60 2uwe s SER 177 CO 0.11 -0.13 1.12 0.20 1.20 0.00 0.00 173.24 175.74 2uwe s ASN 178 N 1.24 7.21 -0.13 5.45 0.01 -1.26 -0.20 114.94 127.26 2uwe s ASN 178 Ca -0.03 2.32 -0.15 0.00 -0.71 0.00 0.00 52.86 54.29 2uwe s ASN 178 Cb -0.17 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 38.90 2uwe s ASN 178 CO -0.08 -0.19 0.41 -0.83 -1.51 0.00 0.00 177.10 174.90 2uwe s GLY 179 N -0.84 -0.30 0.00 0.66 0.00 -0.23 -1.52 107.32 105.10 2uwe s GLY 179 Ca 0.45 1.05 0.01 0.00 0.00 0.00 0.00 44.72 46.24 2uwe s GLY 179 CO 0.42 0.88 -0.04 0.00 0.00 0.00 0.00 173.10 174.36 2uwe s ALA 180 N -0.05 0.36 -0.04 3.20 0.00 -0.10 -0.74 121.76 124.39 2uwe s ALA 180 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.75 2uwe s ALA 180 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2uwe s ALA 180 CO 0.01 0.07 -0.22 0.42 0.00 0.00 0.00 175.76 176.04 2uwe s ILE 181 N -0.25 2.33 0.02 0.00 1.01 -1.26 -1.15 121.20 121.90 2uwe s ILE 181 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2uwe s ILE 181 Cb -0.03 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 2uwe s ILE 181 CO -0.00 0.58 -0.07 0.00 0.00 0.00 0.00 174.94 175.44 2uwe s ALA 182 N -0.45 0.59 0.29 9.38 0.00 -0.55 -1.00 121.76 130.03 2uwe s ALA 182 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 2uwe s ALA 182 Cb -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2uwe s ALA 182 CO 0.01 0.08 0.45 1.67 0.00 0.00 0.00 175.76 177.97 2uwe s TRP 183 N -0.67 0.79 0.00 0.00 -2.14 -0.49 -1.06 118.94 115.38 2uwe s TRP 183 Ca -0.02 -1.09 0.00 0.00 2.66 0.00 0.00 56.10 57.65 2uwe s TRP 183 Cb -0.06 -0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.30 2uwe s TRP 183 CO 0.00 -1.04 0.00 -1.13 -2.66 0.00 0.00 176.95 172.12 2uwe n SER 184 N -0.91 0.00 -0.09 -2.66 3.41 -1.26 -0.61 113.62 111.50 2uwe n SER 184 Ca -0.00 -0.98 0.02 0.00 -0.26 0.00 0.00 58.87 57.64 2uwe n SER 184 Cb 0.62 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.59 2uwe n SER 184 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2uwe n ASN 185 N -1.41 1.06 -4.94 4.04 3.02 -1.13 -4.94 115.26 110.97 2uwe n ASN 185 Ca 0.00 -1.84 -0.25 0.00 -0.03 0.00 0.00 54.58 52.46 2uwe n ASN 185 Cb 0.00 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.81 3.38 0.04 3.52 -0.21 -1.26 -5.04 119.66 119.27 2uwe s GLN 186 Ca 0.05 -0.23 -0.17 0.00 0.02 0.00 0.00 55.36 55.03 2uwe s GLN 186 Cb 0.05 -2.55 -0.08 0.00 1.00 0.00 0.00 33.01 31.42 2uwe s GLN 186 CO 0.00 -0.07 1.26 1.15 -2.12 0.00 0.00 175.29 175.52 2uwe h THR 187 N 0.51 0.00 -3.34 -0.19 2.02 -2.01 -3.41 112.91 106.49 2uwe h THR 187 Ca -0.48 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.16 2uwe h THR 187 Cb 1.22 0.00 -0.38 0.00 -1.74 0.00 0.00 68.15 67.25 2uwe h THR 187 CO 0.60 0.00 -0.78 -0.44 0.37 0.00 0.00 175.52 175.27 2uwe s SER 188 N -3.23 2.82 -0.16 4.18 0.01 -1.26 -5.12 113.70 110.94 2uwe s SER 188 Ca -0.08 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2uwe s SER 188 Cb 0.02 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.43 2uwe s SER 188 CO 0.28 -0.21 -0.19 0.72 0.41 0.00 0.00 173.24 174.25 2uwe s PHE 189 N 1.68 2.56 0.61 2.43 -0.12 -1.26 -5.13 117.98 118.76 2uwe s PHE 189 Ca 0.00 -1.43 -0.15 0.00 -0.05 0.00 0.00 56.93 55.30 2uwe s PHE 189 Cb -0.16 -1.79 -0.03 0.00 -0.63 0.00 0.00 43.02 40.42 2uwe s PHE 189 CO -0.07 -0.70 1.06 0.95 -0.05 0.00 0.00 175.22 176.41 2uwe s THR 190 N 1.18 3.75 -0.12 -4.49 -4.23 -1.26 -5.00 115.64 105.47 2uwe s THR 190 Ca 0.01 0.81 0.20 0.00 -1.18 0.00 0.00 61.69 61.52 2uwe s THR 190 Cb -0.14 -3.35 -0.21 0.00 1.34 0.00 0.00 72.50 70.15 2uwe s THR 190 CO -0.09 -0.52 0.60 0.00 -0.54 0.00 0.00 174.62 174.08 2uwe h GLN 192 N 0.00 0.50 -0.00 0.00 1.08 -1.95 -3.31 115.11 111.43 2uwe h GLN 192 Ca -0.14 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 2uwe h GLN 192 Cb 1.37 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 2uwe h GLN 192 CO 0.02 1.09 -0.44 -0.25 -0.95 0.00 0.00 178.83 178.30 2uwe n ASP 193 N -3.83 0.51 0.07 1.46 9.92 -1.26 -4.10 116.55 119.32 2uwe n ASP 193 Ca -0.06 -0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 53.82 2uwe n ASP 193 Cb 0.77 0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 41.30 2uwe n ASP 193 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2uwe h ILE 194 N 0.10 1.47 -0.33 0.53 3.07 -1.76 -3.22 117.51 117.37 2uwe h ILE 194 Ca 0.00 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 63.29 2uwe h ILE 194 Cb 0.50 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 2uwe h ILE 194 CO 0.00 0.88 0.00 0.49 -1.05 0.00 0.00 178.15 178.47 2uwe n PHE 195 N -3.42 0.95 -2.44 0.16 3.01 -1.26 -4.84 117.46 109.63 2uwe n PHE 195 Ca -0.07 -0.35 -0.42 0.00 1.01 0.00 0.00 57.45 57.61 2uwe n PHE 195 Cb 1.00 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 40.21 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 -1.81 4.46 0.15 -1.08 2.20 -1.22 -4.75 119.74 117.69 2uwe s LYS 196 Ca 0.28 1.76 -0.31 0.00 -0.36 0.00 0.00 55.97 57.34 2uwe s LYS 196 Cb 0.20 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 33.08 2uwe s LYS 196 CO 0.11 -0.20 1.68 -2.00 -0.36 0.00 0.00 175.35 174.58 2uwe s GLU 197 N 0.81 4.17 0.00 4.03 2.56 -1.26 -4.74 118.70 124.27 2uwe s GLU 197 Ca 0.57 2.48 0.00 0.00 0.00 0.00 0.00 54.97 58.02 2uwe s GLU 197 Cb -0.29 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.54 2uwe s GLU 197 CO 0.30 -0.72 0.00 2.41 -0.56 0.00 0.00 175.26 176.69