#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2huz n ASP 4 N 0.00 0.70 -0.07 2.55 5.68 -1.26 -4.49 116.55 119.66 2huz n ASP 4 Ca 0.00 -1.53 0.14 0.00 -0.50 0.00 0.00 54.79 52.90 2huz n ASP 4 Cb 0.00 0.29 0.77 0.00 -1.14 0.00 0.00 41.12 41.04 2huz n ASP 4 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2huz n GLU 5 N -0.21 1.10 -1.64 0.11 -0.58 -1.26 -1.75 120.64 116.42 2huz n GLU 5 Ca -0.01 -0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 2huz n GLU 5 Cb 0.15 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 2huz n GLU 5 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2huz s THR 6 N -1.99 3.03 0.54 2.62 2.01 -1.26 -4.83 115.64 115.76 2huz s THR 6 Ca 0.40 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 2huz s THR 6 Cb 0.19 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 2huz s THR 6 CO 0.32 -0.02 1.03 -2.16 -0.69 0.00 0.00 174.62 173.10 2huz s PRO 7 N 5.81 3.61 0.38 4.92 0.04 -1.26 -4.15 135.00 144.35 2huz s PRO 7 Ca 0.97 1.19 0.05 0.00 0.04 0.00 0.00 61.00 63.25 2huz s PRO 7 Cb -0.35 -2.08 0.76 0.00 0.04 0.00 0.00 34.50 32.87 2huz s PRO 7 CO 0.37 -0.57 2.02 1.98 0.04 0.00 0.00 177.00 180.84 2huz h MET 8 N 0.89 0.61 -4.76 4.56 4.05 -1.00 -3.45 114.93 115.82 2huz h MET 8 Ca -0.48 -0.05 -0.42 0.00 -0.28 0.00 0.00 59.70 58.47 2huz h MET 8 Cb 1.21 -0.13 -0.13 0.00 -0.80 0.00 0.00 31.60 31.76 2huz h MET 8 CO 0.59 0.44 -0.46 -0.59 0.23 0.00 0.00 176.91 177.12 2huz s PHE 9 N -5.46 1.60 -0.01 1.39 -0.12 -1.26 -4.61 117.98 109.51 2huz s PHE 9 Ca -0.09 -1.58 -0.30 0.00 -0.05 0.00 0.00 56.93 54.91 2huz s PHE 9 Cb 0.17 -0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 41.89 2huz s PHE 9 CO 0.74 -0.89 1.59 0.34 -0.05 0.00 0.00 175.22 176.95 2huz s ASP 10 N -3.33 6.70 0.42 1.98 -1.08 -1.26 -4.84 116.67 115.26 2huz s ASP 10 Ca 0.39 2.26 0.11 0.00 -0.52 0.00 0.00 52.55 54.79 2huz s ASP 10 Cb 0.02 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.88 2huz s ASP 10 CO 0.25 -0.86 1.99 -0.65 0.52 0.00 0.00 175.17 176.42 2huz h PRO 11 N 8.79 0.48 -0.98 4.34 0.11 -1.99 -1.83 132.00 140.93 2huz h PRO 11 Ca -0.39 -0.03 0.32 0.00 0.11 0.00 0.00 66.00 66.01 2huz h PRO 11 Cb 1.18 -0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.02 2huz h PRO 11 CO 0.94 0.32 0.43 0.77 -0.21 0.00 0.00 178.00 180.25 2huz h SER 12 N 0.50 0.24 -0.82 -2.05 0.02 -2.01 0.33 113.55 109.76 2huz h SER 12 Ca 0.25 0.22 0.15 0.00 -0.84 0.00 0.00 61.79 61.57 2huz h SER 12 Cb 0.35 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 2huz h SER 12 CO -0.07 -0.25 0.54 -0.07 -1.14 0.00 0.00 176.83 175.84 2huz h LEU 13 N 0.18 0.49 -0.19 5.07 3.38 -1.72 -1.82 115.31 120.70 2huz h LEU 13 Ca 0.71 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.65 2huz h LEU 13 Cb 1.66 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2huz h LEU 13 CO -0.70 0.25 -0.13 -0.07 0.09 0.00 0.00 178.44 177.88 2huz h LEU 14 N 0.52 0.44 -1.10 1.67 3.38 -0.49 -3.22 115.31 116.51 2huz h LEU 14 Ca 0.41 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2huz h LEU 14 Cb 0.82 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2huz h LEU 14 CO -0.15 0.78 -0.34 0.07 0.09 0.00 0.00 178.44 178.89 2huz h LYS 15 N 0.10 0.00 -0.00 1.13 2.10 -1.36 -2.87 116.57 115.66 2huz h LYS 15 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2huz h LYS 15 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2huz h LYS 15 CO 0.03 0.34 -0.05 0.39 -2.00 0.00 0.00 179.45 178.16 2huz n GLU 16 N -3.60 0.73 -1.74 0.07 1.02 -0.90 -4.81 120.64 111.41 2huz n GLU 16 Ca -0.01 -0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 2huz n GLU 16 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2huz n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2huz s VAL 17 N -2.37 2.12 -0.90 2.62 1.01 -1.08 -4.85 120.40 116.94 2huz s VAL 17 Ca 0.33 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 2huz s VAL 17 Cb 0.21 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2huz s VAL 17 CO 0.44 0.00 1.75 -0.62 0.00 0.00 0.00 175.10 176.67 2huz s ASP 18 N 1.34 5.64 0.37 3.32 2.15 -1.26 -4.80 116.67 123.43 2huz s ASP 18 Ca 0.75 -0.81 0.27 0.00 0.43 0.00 0.00 52.55 53.19 2huz s ASP 18 Cb -0.49 -2.56 1.21 0.00 -0.30 0.00 0.00 42.92 40.78 2huz s ASP 18 CO 0.32 -2.27 1.82 -0.25 -0.17 0.00 0.00 175.17 174.62 2huz h TRP 19 N 11.10 0.00 0.00 -5.34 2.91 -1.91 -0.97 115.95 121.74 2huz h TRP 19 Ca 0.08 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2huz h TRP 19 Cb 1.02 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 2huz h TRP 19 CO 1.22 0.00 0.00 0.66 -1.03 0.00 0.00 178.44 179.29 2huz h SER 20 N 0.00 0.00 0.43 2.65 4.64 -2.02 -2.79 113.55 116.46 2huz h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2huz h SER 20 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2huz h SER 20 CO 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.60 2huz n GLN 21 N -2.42 0.33 -1.69 4.77 6.02 -0.37 -4.87 117.38 119.16 2huz n GLN 21 Ca 0.01 -0.18 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 2huz n GLN 21 Cb 0.18 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 2huz n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2huz n ASN 22 N -1.17 3.97 0.05 1.08 5.15 -1.05 -4.91 115.26 118.37 2huz n ASN 22 Ca 0.09 1.00 0.08 0.00 -0.60 0.00 0.00 54.58 55.14 2huz n ASN 22 Cb 0.33 -1.54 -0.07 0.00 -0.53 0.00 0.00 39.78 37.98 2huz n ASN 22 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2huz n THR 23 N 4.53 0.64 -2.28 -0.44 5.66 -1.26 -5.00 114.28 116.13 2huz n THR 23 Ca 0.18 -0.59 -0.36 0.00 -3.05 0.00 0.00 64.05 60.23 2huz n THR 23 Cb 0.36 -0.35 -0.01 0.00 -1.55 0.00 0.00 70.33 68.78 2huz n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2huz s ALA 24 N -3.26 2.86 0.22 1.79 0.00 -1.24 -4.99 121.76 117.15 2huz s ALA 24 Ca -0.03 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 2huz s ALA 24 Cb 0.10 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2huz s ALA 24 CO 0.83 -0.67 0.93 0.99 0.00 0.00 0.00 175.76 177.84 2huz s THR 25 N -1.66 4.15 -0.14 0.00 2.01 -1.26 -5.07 115.64 113.67 2huz s THR 25 Ca 0.67 2.06 -0.02 0.00 0.31 0.00 0.00 61.69 64.71 2huz s THR 25 Cb -0.26 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 67.98 2huz s THR 25 CO 0.31 0.48 0.01 -0.36 -0.69 0.00 0.00 174.62 174.36 2huz s PHE 26 N -1.03 0.97 -0.27 4.92 0.40 -1.26 -5.08 117.98 116.63 2huz s PHE 26 Ca 0.41 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2huz s PHE 26 Cb -0.25 -0.97 0.08 0.00 0.51 0.00 0.00 43.02 42.38 2huz s PHE 26 CO 0.31 -0.49 0.00 0.45 0.70 0.00 0.00 175.22 176.19 2huz s SER 27 N 1.88 4.04 0.48 1.36 0.15 -1.26 -2.33 113.70 118.02 2huz s SER 27 Ca 0.02 -1.46 -0.19 0.00 0.70 0.00 0.00 55.95 55.02 2huz s SER 27 Cb -0.15 -1.18 -0.09 0.00 -1.71 0.00 0.00 66.02 62.89 2huz s SER 27 CO -0.07 -0.31 0.98 -2.16 1.20 0.00 0.00 173.24 172.88 2huz s PRO 28 N 1.36 4.04 -0.53 5.44 0.04 -1.26 -5.07 135.00 139.02 2huz s PRO 28 Ca 0.01 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.84 2huz s PRO 28 Cb -0.18 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2huz s PRO 28 CO -0.11 -0.20 2.44 0.00 0.04 0.00 0.00 177.00 179.17 2huz n ALA 29 N -1.17 0.79 -2.62 8.56 0.00 -0.98 -4.96 120.51 120.14 2huz n ALA 29 Ca 0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 53.44 52.50 2huz n ALA 29 Cb 0.54 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 16.88 2huz n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2huz s ILE 30 N 11.51 3.84 0.08 0.00 -4.36 -1.26 -5.05 121.20 125.95 2huz s ILE 30 Ca 1.03 -1.40 -0.10 0.00 -0.26 0.00 0.00 60.65 59.92 2huz s ILE 30 Cb -0.33 -3.25 0.01 0.00 1.25 0.00 0.00 42.46 40.13 2huz s ILE 30 CO 0.30 -0.24 0.22 -0.94 0.24 0.00 0.00 174.94 174.52 2huz s SER 31 N -3.93 0.05 0.47 4.36 1.04 0.12 -4.96 113.70 110.85 2huz s SER 31 Ca 0.38 -0.53 0.33 0.00 0.48 0.00 0.00 55.95 56.61 2huz s SER 31 Cb -0.06 0.35 1.44 0.00 0.10 0.00 0.00 66.02 67.85 2huz s SER 31 CO 0.26 -0.70 1.68 -0.65 0.98 0.00 0.00 173.24 174.80 2huz h PRO 32 N 2.87 0.11 0.26 4.02 0.11 -1.95 0.18 132.00 137.59 2huz h PRO 32 Ca -0.33 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.43 2huz h PRO 32 Cb 1.20 -0.02 0.04 0.00 0.11 0.00 0.00 31.00 32.33 2huz h PRO 32 CO 0.53 0.07 -1.48 1.15 -0.21 0.00 0.00 178.00 178.06 2huz h THR 33 N 0.11 1.28 -3.11 -1.15 2.02 -1.95 -3.43 112.91 106.69 2huz h THR 33 Ca 0.75 -2.70 -0.62 0.00 0.77 0.00 0.00 66.41 64.61 2huz h THR 33 Cb 2.52 3.05 -0.41 0.00 -1.74 0.00 0.00 68.15 71.57 2huz h THR 33 CO -0.25 0.81 -0.68 -1.00 0.37 0.00 0.00 175.52 174.77 2huz s HIS 34 N -2.60 2.71 -0.01 3.16 3.76 0.54 -4.94 115.29 117.91 2huz s HIS 34 Ca -0.09 -2.90 0.16 0.00 -0.15 0.00 0.00 55.06 52.08 2huz s HIS 34 Cb 0.04 -2.34 0.28 0.00 1.11 0.00 0.00 32.58 31.67 2huz s HIS 34 CO 0.95 -0.72 1.54 -1.35 -0.85 0.00 0.00 174.74 174.31 2huz h PRO 35 N 6.26 0.00 0.00 8.40 0.11 -1.58 0.34 132.00 145.53 2huz h PRO 35 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2huz h PRO 35 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2huz h PRO 35 CO 0.60 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 2huz n GLY 36 N 0.87 -0.39 3.72 -0.55 0.00 -1.26 -4.80 105.19 102.79 2huz n GLY 36 Ca 0.01 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2huz n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2huz s GLU 37 N -1.89 4.16 -0.75 1.61 2.02 -1.26 -3.17 118.70 119.42 2huz s GLU 37 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 54.97 57.50 2huz s GLU 37 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2huz s GLU 37 CO 0.00 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.02 2huz n GLY 38 N 3.59 0.83 3.37 -1.39 0.00 -1.26 -5.00 105.19 105.33 2huz n GLY 38 Ca 0.14 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2huz n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2huz s LEU 39 N -1.60 2.45 0.02 0.99 1.43 -1.19 -1.56 118.68 119.23 2huz s LEU 39 Ca 0.00 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2huz s LEU 39 Cb 0.00 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2huz s LEU 39 CO 0.00 0.27 -0.26 -0.69 0.23 0.00 0.00 176.35 175.90 2huz s VAL 40 N -0.27 2.06 -0.29 -1.59 1.01 -0.21 -4.46 120.40 116.65 2huz s VAL 40 Ca 0.01 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 2huz s VAL 40 Cb -0.13 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2huz s VAL 40 CO 0.03 0.42 0.05 -0.22 0.00 0.00 0.00 175.10 175.38 2huz s LEU 41 N -1.02 3.75 0.12 3.92 2.96 -1.26 -0.81 118.68 126.34 2huz s LEU 41 Ca 0.11 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.18 2huz s LEU 41 Cb -0.10 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2huz s LEU 41 CO 0.01 -0.19 0.17 0.00 -1.32 0.00 0.00 176.35 175.03 2huz s ARG 42 N 1.46 0.95 0.40 1.98 1.70 -0.14 -4.99 118.95 120.31 2huz s ARG 42 Ca 0.02 -1.17 -0.24 0.00 -0.47 0.00 0.00 55.73 53.87 2huz s ARG 42 Cb -0.17 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.42 2huz s ARG 42 CO 0.01 -0.31 0.94 -2.30 -1.08 0.00 0.00 175.30 172.57 2huz n PRO 43 N -0.11 1.23 -1.67 3.89 -0.02 -1.26 -0.62 135.00 136.43 2huz n PRO 43 Ca -0.10 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 2huz n PRO 43 Cb 0.63 -1.94 0.06 0.00 -0.02 0.00 0.00 33.50 32.23 2huz n PRO 43 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2huz n LEU 44 N 0.70 4.83 -4.22 2.45 7.94 -0.23 -4.69 117.00 123.79 2huz n LEU 44 Ca 0.10 0.84 -0.12 0.00 -1.11 0.00 0.00 56.01 55.71 2huz n LEU 44 Cb 0.38 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.75 2huz n LEU 44 CO 0.57 -1.37 -0.29 0.00 -1.11 0.00 0.00 177.39 175.19 2huz h THR 46 N 2.69 1.09 -1.00 0.00 1.35 -1.67 -1.69 112.91 113.67 2huz h THR 46 Ca -0.36 -0.39 0.27 0.00 -0.55 0.00 0.00 66.41 65.37 2huz h THR 46 Cb 1.22 -0.15 -0.06 0.00 -1.73 0.00 0.00 68.15 67.42 2huz h THR 46 CO 0.59 0.21 0.69 0.00 -0.25 0.00 0.00 175.52 176.76 2huz h ALA 47 N 1.47 2.63 -0.22 6.62 0.00 -1.56 -2.13 119.26 126.07 2huz h ALA 47 Ca 0.42 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.39 2huz h ALA 47 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2huz h ALA 47 CO -0.16 -0.95 0.49 -0.44 0.00 0.00 0.00 179.25 178.18 2huz h ASP 48 N 0.18 0.00 -0.97 0.00 3.32 -1.60 -1.73 116.42 115.61 2huz h ASP 48 Ca 0.51 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.78 2huz h ASP 48 Cb 1.68 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 41.05 2huz h ASP 48 CO -0.11 0.00 -0.14 0.25 -1.72 0.00 0.00 179.24 177.52 2huz h LEU 49 N 0.00 -0.74 -2.58 1.55 5.85 -1.59 -1.42 115.31 116.38 2huz h LEU 49 Ca 0.10 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2huz h LEU 49 Cb 1.07 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2huz h LEU 49 CO -0.00 -0.33 0.00 0.59 -0.34 0.00 0.00 178.44 178.36 2huz n ASN 50 N -5.56 3.64 -1.77 1.25 5.03 -0.65 -3.62 115.26 113.57 2huz n ASN 50 Ca 0.18 -1.98 -0.07 0.00 0.87 0.00 0.00 54.58 53.58 2huz n ASN 50 Cb 0.58 -0.37 0.22 0.00 -1.02 0.00 0.00 39.78 39.20 2huz n ASN 50 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2huz n ARG 51 N 1.46 2.96 -2.74 3.52 1.74 -0.56 -4.93 116.66 118.11 2huz n ARG 51 Ca 0.21 -2.38 -0.14 0.00 -0.77 0.00 0.00 57.85 54.78 2huz n ARG 51 Cb 0.59 -2.00 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2huz n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2huz n GLY 52 N -0.16 -0.05 0.10 -0.13 0.00 -1.21 0.44 105.19 104.18 2huz n GLY 52 Ca 0.34 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2huz n GLY 52 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2huz h PHE 53 N -0.89 0.23 0.00 1.61 3.57 -1.62 -2.05 116.94 117.79 2huz h PHE 53 Ca -0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2huz h PHE 53 Cb 1.22 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2huz h PHE 53 CO 0.32 0.23 0.00 0.74 -2.23 0.00 0.00 178.31 177.36 2huz h PHE 54 N 0.17 0.00 -0.32 0.41 0.04 -1.84 -1.34 116.94 114.06 2huz h PHE 54 Ca 0.06 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.67 2huz h PHE 54 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 2huz h PHE 54 CO -0.04 0.00 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.04 2huz h LYS 55 N 0.00 0.84 0.09 1.51 3.64 -1.75 -1.00 116.57 119.90 2huz h LYS 55 Ca 0.00 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2huz h LYS 55 Cb 0.44 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2huz h LYS 55 CO 0.00 1.11 -0.04 0.28 -2.27 0.00 0.00 179.45 178.53 2huz h VAL 56 N 0.62 1.16 -0.90 2.00 2.07 -0.93 -3.04 116.25 117.24 2huz h VAL 56 Ca 0.04 -1.03 0.13 0.00 0.82 0.00 0.00 66.70 66.66 2huz h VAL 56 Cb 1.00 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 2huz h VAL 56 CO 0.10 0.25 0.58 -0.07 0.02 0.00 0.00 177.57 178.44 2huz h LEU 57 N -0.60 0.70 -1.96 2.57 3.38 -1.31 0.24 115.31 118.33 2huz h LEU 57 Ca -0.01 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2huz h LEU 57 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2huz h LEU 57 CO 0.02 0.37 0.42 1.23 0.09 0.00 0.00 178.44 180.57 2huz h GLY 58 N 0.75 0.00 1.64 0.83 0.00 -1.06 0.62 103.07 105.86 2huz h GLY 58 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2huz h GLY 58 CO -0.21 0.00 -0.08 -1.06 0.00 0.00 0.00 176.54 175.20 2huz n GLN 59 N -3.49 0.17 -0.12 4.80 6.02 0.84 -3.84 117.38 121.77 2huz n GLN 59 Ca 0.05 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.76 2huz n GLN 59 Cb 0.56 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 2huz n GLN 59 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2huz n LEU 60 N -1.39 1.98 -3.53 1.08 7.94 0.21 -5.04 117.00 118.25 2huz n LEU 60 Ca 0.09 0.36 -0.09 0.00 -1.11 0.00 0.00 56.01 55.26 2huz n LEU 60 Cb 0.31 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 2huz n LEU 60 CO 0.27 0.46 0.75 0.28 -1.11 0.00 0.00 177.39 178.04 2huz s THR 61 N -2.44 0.00 -0.07 1.96 -1.32 -0.87 -5.14 115.64 107.76 2huz s THR 61 Ca -0.34 0.00 -0.40 0.00 -1.21 0.00 0.00 61.69 59.74 2huz s THR 61 Cb 0.10 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.90 2huz s THR 61 CO 0.55 0.00 1.22 -0.62 -2.21 0.00 0.00 174.62 173.56 2huz n GLU 62 N 0.03 0.25 -3.79 7.08 4.71 -1.26 -4.26 120.64 123.39 2huz n GLU 62 Ca -0.08 0.09 -0.29 0.00 -0.01 0.00 0.00 57.16 56.87 2huz n GLU 62 Cb 0.60 -1.62 -0.13 0.00 -1.01 0.00 0.00 31.44 29.28 2huz n GLU 62 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2huz s THR 63 N 0.64 2.00 0.00 2.62 -4.23 -1.26 -5.02 115.64 110.40 2huz s THR 63 Ca 0.92 -3.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 2huz s THR 63 Cb -1.24 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2huz s THR 63 CO 0.59 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 2huz n GLY 64 N 2.90 -1.09 3.55 3.99 0.00 -1.26 -4.45 105.19 108.82 2huz n GLY 64 Ca 0.13 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2huz n GLY 64 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2huz n VAL 65 N -1.90 -0.01 -3.50 1.61 0.24 -1.26 -4.90 118.33 108.61 2huz n VAL 65 Ca 0.00 -0.66 -0.37 0.00 -2.04 0.00 0.00 64.34 61.27 2huz n VAL 65 Cb 0.00 -2.52 -0.07 0.00 -1.47 0.00 0.00 33.84 29.79 2huz n VAL 65 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2huz s VAL 66 N 11.26 5.27 0.20 3.34 1.01 -1.26 -5.07 120.40 135.15 2huz s VAL 66 Ca 1.03 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 2huz s VAL 66 Cb -0.33 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2huz s VAL 66 CO 0.30 0.40 0.79 -0.55 0.00 0.00 0.00 175.10 176.04 2huz s SER 67 N 0.35 7.33 0.32 3.32 0.15 -1.26 -4.98 113.70 118.94 2huz s SER 67 Ca 0.19 1.64 0.01 0.00 0.70 0.00 0.00 55.95 58.49 2huz s SER 67 Cb -0.14 -2.50 0.53 0.00 -1.71 0.00 0.00 66.02 62.21 2huz s SER 67 CO 0.06 0.14 1.90 -0.65 1.20 0.00 0.00 173.24 175.89 2huz h PRO 68 N 4.00 0.76 -0.16 5.44 0.11 -1.99 0.04 132.00 140.20 2huz h PRO 68 Ca -0.47 -0.11 -0.21 0.00 0.11 0.00 0.00 66.00 65.32 2huz h PRO 68 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2huz h PRO 68 CO 0.66 0.63 -0.72 0.93 -0.21 0.00 0.00 178.00 179.29 2huz h GLU 69 N 0.75 0.70 -0.58 1.05 4.39 -1.98 -0.10 114.58 118.81 2huz h GLU 69 Ca 0.18 -0.54 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 2huz h GLU 69 Cb 0.16 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2huz h GLU 69 CO -0.02 1.16 -0.03 0.37 -1.16 0.00 0.00 179.01 179.33 2huz h GLN 70 N 0.50 1.05 0.53 2.33 5.75 -1.88 -0.58 115.11 122.80 2huz h GLN 70 Ca -0.03 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 2huz h GLN 70 Cb 1.33 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 2huz h GLN 70 CO 0.14 1.05 -0.46 0.35 -2.65 0.00 0.00 178.83 177.26 2huz h PHE 71 N 0.94 -1.26 -0.81 3.99 3.57 -1.01 -2.46 116.94 119.89 2huz h PHE 71 Ca 0.16 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.76 2huz h PHE 71 Cb 0.60 0.48 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 2huz h PHE 71 CO 0.04 -0.64 0.45 0.52 -2.23 0.00 0.00 178.31 176.45 2huz h MET 72 N -0.98 0.73 -0.04 1.11 2.86 -0.65 -0.24 114.93 117.72 2huz h MET 72 Ca -0.06 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2huz h MET 72 Cb 0.84 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2huz h MET 72 CO -0.02 0.48 -0.04 -0.22 1.06 0.00 0.00 176.91 178.17 2huz h LYS 73 N 0.75 -0.05 -0.08 1.72 3.11 -1.16 -1.43 116.57 119.44 2huz h LYS 73 Ca 0.40 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 58.25 2huz h LYS 73 Cb 0.38 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 2huz h LYS 73 CO -0.26 -0.03 0.01 0.77 -2.81 0.00 0.00 179.45 177.13 2huz h SER 74 N -0.05 -0.00 -0.36 4.20 0.02 -0.83 -1.54 113.55 114.99 2huz h SER 74 Ca 0.03 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2huz h SER 74 Cb 0.09 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 2huz h SER 74 CO -0.07 0.01 -0.19 0.15 -1.14 0.00 0.00 176.83 175.59 2huz h PHE 75 N 0.05 -0.46 -0.32 3.45 3.57 -1.02 -1.83 116.94 120.38 2huz h PHE 75 Ca 0.03 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2huz h PHE 75 Cb 0.03 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2huz h PHE 75 CO -0.11 -0.26 0.01 0.93 -2.23 0.00 0.00 178.31 176.64 2huz h GLU 76 N -0.13 0.10 -0.77 1.11 4.39 -0.67 0.11 114.58 118.72 2huz h GLU 76 Ca 0.18 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.94 2huz h GLU 76 Cb 0.40 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2huz h GLU 76 CO -0.44 0.06 0.45 1.25 -1.16 0.00 0.00 179.01 179.17 2huz h HIS 77 N 0.10 0.82 -0.63 4.33 2.76 -1.02 0.50 115.15 122.01 2huz h HIS 77 Ca 0.15 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 2huz h HIS 77 Cb 0.20 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2huz h HIS 77 CO -0.22 0.39 0.14 0.52 -1.30 0.00 0.00 177.93 177.46 2huz h MET 78 N 0.81 1.02 -0.36 5.26 2.86 -0.48 -1.97 114.93 122.07 2huz h MET 78 Ca 0.34 -0.25 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 2huz h MET 78 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2huz h MET 78 CO -0.19 0.93 -0.40 -0.22 1.06 0.00 0.00 176.91 178.09 2huz h LYS 79 N 0.93 0.87 0.00 1.72 3.64 0.18 -3.09 116.57 120.82 2huz h LYS 79 Ca 0.20 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2huz h LYS 79 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2huz h LYS 79 CO 0.00 1.10 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.85 2huz h LYS 80 N 0.71 0.00 0.00 1.90 3.64 0.10 -2.84 116.57 120.08 2huz h LYS 80 Ca 0.06 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 2huz h LYS 80 Cb 0.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2huz h LYS 80 CO 0.09 0.22 -0.81 0.66 -2.27 0.00 0.00 179.45 177.34 2huz h SER 81 N 0.00 0.01 0.00 4.20 4.64 -1.27 -3.47 113.55 117.66 2huz h SER 81 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2huz h SER 81 Cb 0.45 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2huz h SER 81 CO 0.03 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 2huz n GLY 82 N 0.80 0.33 0.35 -0.77 0.00 -1.07 -4.85 105.19 99.97 2huz n GLY 82 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2huz n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2huz n ASP 83 N -0.37 1.56 -4.29 1.61 8.00 -1.26 -4.95 116.55 116.86 2huz n ASP 83 Ca 0.00 -1.28 -0.33 0.00 0.71 0.00 0.00 54.79 53.89 2huz n ASP 83 Cb 0.18 0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 41.56 2huz n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2huz s TYR 84 N -1.70 2.79 -0.56 1.24 2.02 -1.26 -0.18 117.35 119.70 2huz s TYR 84 Ca 0.12 -0.95 0.07 0.00 -0.37 0.00 0.00 57.07 55.94 2huz s TYR 84 Cb 0.12 -1.88 0.29 0.00 -0.40 0.00 0.00 41.96 40.08 2huz s TYR 84 CO 0.35 -0.42 0.78 0.66 -1.57 0.00 0.00 175.55 175.34 2huz n TYR 85 N 3.95 2.90 -2.38 2.71 4.01 0.18 -4.69 117.16 123.84 2huz n TYR 85 Ca -0.19 -3.99 -0.43 0.00 -0.16 0.00 0.00 57.90 53.13 2huz n TYR 85 Cb 0.52 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2huz n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2huz s VAL 86 N -2.91 3.91 -0.04 -0.72 1.01 -1.26 -2.38 120.40 118.00 2huz s VAL 86 Ca 0.42 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2huz s VAL 86 Cb 0.21 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2huz s VAL 86 CO -0.07 -0.86 -0.03 -0.89 0.00 0.00 0.00 175.10 173.25 2huz s THR 87 N 5.47 3.97 0.09 3.92 2.01 0.44 -1.07 115.64 130.47 2huz s THR 87 Ca 0.58 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2huz s THR 87 Cb -0.12 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2huz s THR 87 CO 0.31 0.51 -0.08 0.68 -0.69 0.00 0.00 174.62 175.36 2huz s VAL 88 N -0.93 0.75 -0.25 3.82 -7.23 0.20 -1.04 120.40 115.72 2huz s VAL 88 Ca 0.15 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2huz s VAL 88 Cb -0.11 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2huz s VAL 88 CO 0.05 -0.73 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.41 2huz s VAL 89 N -3.04 3.52 0.18 1.32 1.01 0.90 -0.97 120.40 123.32 2huz s VAL 89 Ca 0.08 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2huz s VAL 89 Cb 0.01 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.62 2huz s VAL 89 CO -0.03 0.28 0.68 -0.70 0.00 0.00 0.00 175.10 175.34 2huz s GLU 90 N 1.47 4.27 -1.10 2.72 2.12 0.01 0.20 118.70 128.39 2huz s GLU 90 Ca 0.04 0.86 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 2huz s GLU 90 Cb -0.16 -3.02 0.22 0.00 0.26 0.00 0.00 34.13 31.43 2huz s GLU 90 CO -0.01 0.48 1.19 0.34 -0.54 0.00 0.00 175.26 176.72 2huz s ASP 91 N -1.46 7.10 0.41 -1.70 -1.08 0.40 -1.05 116.67 119.29 2huz s ASP 91 Ca 0.38 -3.12 0.23 0.00 -0.52 0.00 0.00 52.55 49.52 2huz s ASP 91 Cb -0.18 -2.30 1.23 0.00 -1.46 0.00 0.00 42.92 40.21 2huz s ASP 91 CO 0.21 -0.56 1.71 1.62 0.52 0.00 0.00 175.17 178.67 2huz h VAL 92 N 4.37 0.37 0.44 1.11 3.04 -1.54 0.80 116.25 124.83 2huz h VAL 92 Ca 0.22 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.79 2huz h VAL 92 Cb 0.91 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2huz h VAL 92 CO 1.08 0.05 -0.21 0.00 -1.01 0.00 0.00 177.57 177.48 2huz h THR 93 N 0.27 0.55 -0.01 3.17 1.03 -1.92 -3.19 112.91 112.81 2huz h THR 93 Ca 0.68 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.78 2huz h THR 93 Cb 1.91 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 2huz h THR 93 CO -0.35 0.05 -0.10 0.00 -0.01 0.00 0.00 175.52 175.12 2huz n LEU 94 N -5.27 0.87 0.00 0.00 -0.00 -0.37 -4.95 117.00 107.28 2huz n LEU 94 Ca -0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 2huz n LEU 94 Cb 0.28 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2huz n LEU 94 CO 0.33 0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.49 2huz n GLY 95 N 1.23 0.40 3.78 1.47 0.00 0.26 -5.01 105.19 107.32 2huz n GLY 95 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2huz n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2huz s GLN 96 N -0.54 2.91 0.31 1.61 -1.52 -1.19 -4.58 119.66 116.66 2huz s GLN 96 Ca 0.00 -0.68 -0.28 0.00 -1.95 0.00 0.00 55.36 52.45 2huz s GLN 96 Cb 0.00 -2.74 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 2huz s GLN 96 CO 0.00 0.57 1.03 0.42 -0.25 0.00 0.00 175.29 177.05 2huz s ILE 97 N -1.40 3.79 0.00 1.08 -1.09 0.17 0.15 121.20 123.89 2huz s ILE 97 Ca 0.30 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2huz s ILE 97 Cb -0.12 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2huz s ILE 97 CO 0.22 0.27 0.40 1.33 -1.23 0.00 0.00 174.94 175.93 2huz n VAL 98 N 0.84 0.15 -3.65 2.92 0.24 0.13 -4.85 118.33 114.12 2huz n VAL 98 Ca 0.01 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.34 61.97 2huz n VAL 98 Cb 0.47 1.28 -0.06 0.00 -1.47 0.00 0.00 33.84 34.07 2huz n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2huz s ALA 99 N -0.15 -2.18 0.04 2.33 0.00 -1.24 -0.24 121.76 120.32 2huz s ALA 99 Ca 0.00 1.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 2huz s ALA 99 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 2huz s ALA 99 CO 0.00 -0.15 0.12 -0.08 0.00 0.00 0.00 175.76 175.65 2huz s THR 100 N -0.29 0.13 -0.01 0.00 -1.32 -0.11 -0.07 115.64 113.98 2huz s THR 100 Ca 0.08 -1.08 -0.28 0.00 -1.21 0.00 0.00 61.69 59.20 2huz s THR 100 Cb -0.04 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.06 2huz s THR 100 CO -0.13 -0.60 0.62 0.00 -2.21 0.00 0.00 174.62 172.31 2huz s ALA 101 N -2.74 -1.62 -0.04 11.08 0.00 -0.20 -0.86 121.76 127.38 2huz s ALA 101 Ca -0.04 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2huz s ALA 101 Cb -0.00 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 2huz s ALA 101 CO -0.05 -0.44 -0.25 0.99 0.00 0.00 0.00 175.76 176.01 2huz s THR 102 N -1.73 2.04 -0.28 0.00 2.01 -0.13 -0.42 115.64 117.12 2huz s THR 102 Ca -0.09 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 60.76 2huz s THR 102 Cb -0.01 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2huz s THR 102 CO 0.05 0.57 0.07 -0.22 -0.69 0.00 0.00 174.62 174.40 2huz s LEU 103 N -0.38 3.72 -0.20 4.42 2.96 -1.00 -1.30 118.68 126.89 2huz s LEU 103 Ca 0.03 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 2huz s LEU 103 Cb -0.12 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2huz s LEU 103 CO 0.01 -0.15 0.21 -0.63 -1.32 0.00 0.00 176.35 174.47 2huz s ILE 104 N 1.52 5.35 -0.15 6.68 1.01 -0.36 -0.65 121.20 134.60 2huz s ILE 104 Ca 0.04 0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 2huz s ILE 104 Cb -0.17 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2huz s ILE 104 CO 0.02 0.38 0.56 -0.63 0.00 0.00 0.00 174.94 175.28 2huz s ILE 105 N 0.65 5.11 -0.10 2.92 -1.09 0.74 -0.52 121.20 128.90 2huz s ILE 105 Ca 0.11 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.64 2huz s ILE 105 Cb -0.12 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2huz s ILE 105 CO 0.02 0.22 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.09 2huz s GLU 106 N 1.22 3.09 -0.13 2.79 2.12 0.28 -4.85 118.70 123.22 2huz s GLU 106 Ca 0.28 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 2huz s GLU 106 Cb -0.16 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 2huz s GLU 106 CO 0.11 0.30 0.20 -1.01 -0.54 0.00 0.00 175.26 174.32 2huz s HIS 107 N 0.11 3.56 0.42 5.30 3.76 -1.26 -0.63 115.29 126.54 2huz s HIS 107 Ca -0.08 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.46 2huz s HIS 107 Cb -0.15 -2.10 -0.06 0.00 1.11 0.00 0.00 32.58 31.38 2huz s HIS 107 CO 0.05 0.55 0.11 0.15 -0.85 0.00 0.00 174.74 174.76 2huz s LYS 108 N -0.51 2.12 -0.19 1.40 -0.14 0.22 -4.98 119.74 117.66 2huz s LYS 108 Ca 0.15 -1.97 0.15 0.00 -1.36 0.00 0.00 55.97 52.94 2huz s LYS 108 Cb -0.13 -1.83 -0.22 0.00 -1.68 0.00 0.00 37.83 33.97 2huz s LYS 108 CO 0.04 -0.10 0.04 1.19 -0.76 0.00 0.00 175.35 175.76 2huz n PHE 109 N -1.14 0.00 -0.59 3.18 3.72 -1.26 -3.91 117.46 117.46 2huz n PHE 109 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 2huz n PHE 109 Cb 0.66 -0.91 0.26 0.00 -0.94 0.00 0.00 39.48 38.54 2huz n PHE 109 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2huz s ILE 110 N -2.45 1.84 -1.62 4.37 -4.36 -1.26 -0.67 121.20 117.05 2huz s ILE 110 Ca -0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.20 2huz s ILE 110 Cb 0.06 -2.12 0.08 0.00 1.25 0.00 0.00 42.46 41.72 2huz s ILE 110 CO 0.74 0.00 0.31 1.41 0.24 0.00 0.00 174.94 177.64 2huz n HIS 111 N -5.01 -1.37 -3.18 1.37 8.25 -1.26 -1.53 115.22 112.49 2huz n HIS 111 Ca 0.05 0.68 -0.14 0.00 -0.26 0.00 0.00 57.72 58.04 2huz n HIS 111 Cb 0.56 -2.76 0.07 0.00 1.12 0.00 0.00 29.99 28.98 2huz n HIS 111 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2huz n SER 112 N -2.78 -2.62 -3.82 0.41 2.88 -1.25 -2.96 113.62 103.48 2huz n SER 112 Ca -0.17 -0.54 -0.23 0.00 -1.33 0.00 0.00 58.87 56.60 2huz n SER 112 Cb 0.61 -4.45 0.01 0.00 -0.75 0.00 0.00 64.21 59.63 2huz n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2huz s ALA 114 N -3.78 2.04 -0.11 0.00 0.00 -0.58 -4.64 121.76 114.69 2huz s ALA 114 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2huz s ALA 114 Cb -0.02 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2huz s ALA 114 CO 0.85 -1.95 -0.01 0.15 0.00 0.00 0.00 175.76 174.80 2huz s LYS 115 N -5.16 3.24 0.23 0.00 1.02 -1.26 -0.61 119.74 117.20 2huz s LYS 115 Ca 0.62 -0.44 0.11 0.00 0.02 0.00 0.00 55.97 56.27 2huz s LYS 115 Cb -0.15 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2huz s LYS 115 CO 0.54 0.54 -0.20 -0.98 -0.92 0.00 0.00 175.35 174.33 2huz s ARG 116 N -0.43 1.55 0.18 1.68 1.04 0.20 -1.05 118.95 122.12 2huz s ARG 116 Ca 0.08 -1.64 0.10 0.00 -1.04 0.00 0.00 55.73 53.22 2huz s ARG 116 Cb -0.12 -1.66 -0.04 0.00 -2.04 0.00 0.00 34.95 31.09 2huz s ARG 116 CO 0.02 0.32 -0.14 0.20 -0.04 0.00 0.00 175.30 175.67 2huz s GLY 117 N -3.17 1.72 0.02 3.88 0.00 -0.54 0.98 107.32 110.21 2huz s GLY 117 Ca 0.25 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.51 2huz s GLY 117 CO 0.12 -1.54 -0.18 0.50 0.00 0.00 0.00 173.10 172.01 2huz s ARG 118 N -2.77 1.29 -0.23 2.90 0.52 0.32 -1.24 118.95 119.75 2huz s ARG 118 Ca 0.24 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 2huz s ARG 118 Cb -0.09 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2huz s ARG 118 CO 0.14 0.34 0.17 0.08 0.02 0.00 0.00 175.30 176.05 2huz s VAL 119 N -0.62 5.36 0.08 3.52 1.01 -0.19 -1.22 120.40 128.33 2huz s VAL 119 Ca 0.06 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2huz s VAL 119 Cb -0.08 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2huz s VAL 119 CO 0.01 0.36 -0.08 -1.61 0.00 0.00 0.00 175.10 173.77 2huz s GLU 120 N 0.88 0.75 -1.23 2.72 0.41 -0.42 -4.53 118.70 117.29 2huz s GLU 120 Ca 0.09 -1.09 -0.01 0.00 -0.41 0.00 0.00 54.97 53.55 2huz s GLU 120 Cb -0.13 -0.37 0.00 0.00 -1.78 0.00 0.00 34.13 31.85 2huz s GLU 120 CO 0.03 0.04 1.01 -0.25 -0.49 0.00 0.00 175.26 175.60 2huz n ASP 121 N 0.66 -2.51 -4.67 -0.19 9.92 -1.26 -0.96 116.55 117.54 2huz n ASP 121 Ca -0.17 -0.62 -0.41 0.00 -0.53 0.00 0.00 54.79 53.06 2huz n ASP 121 Cb 0.58 -5.06 -0.04 0.00 -0.64 0.00 0.00 41.12 35.96 2huz n ASP 121 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2huz s VAL 122 N -3.37 4.89 -0.18 2.53 1.01 -1.26 -3.77 120.40 120.25 2huz s VAL 122 Ca 0.07 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 2huz s VAL 122 Cb -0.03 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.27 2huz s VAL 122 CO 0.73 0.04 0.47 0.54 0.00 0.00 0.00 175.10 176.88 2huz s VAL 123 N 2.09 -0.00 -0.14 2.92 0.11 -0.04 -4.99 120.40 120.35 2huz s VAL 123 Ca 0.38 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 2huz s VAL 123 Cb -0.17 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 2huz s VAL 123 CO 0.13 0.01 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.04 2huz s VAL 124 N 0.47 2.61 0.32 2.04 1.01 -1.26 -0.93 120.40 124.66 2huz s VAL 124 Ca -0.02 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 2huz s VAL 124 Cb -0.04 -2.08 -0.13 0.00 0.00 0.00 0.00 36.38 34.13 2huz s VAL 124 CO -0.02 0.53 1.22 -0.24 0.00 0.00 0.00 175.10 176.59 2huz n SER 125 N 3.80 2.36 0.00 3.32 2.88 0.67 -4.81 113.62 121.85 2huz n SER 125 Ca -0.19 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2huz n SER 125 Cb 0.52 -1.43 0.01 0.00 -0.75 0.00 0.00 64.21 62.57 2huz n SER 125 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2huz n ASP 126 N 0.98 0.00 -2.91 -3.46 5.68 -1.26 -0.32 116.55 115.26 2huz n ASP 126 Ca 0.06 0.38 -0.28 0.00 -0.50 0.00 0.00 54.79 54.46 2huz n ASP 126 Cb 0.35 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 2huz n ASP 126 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2huz n GLU 127 N -1.38 3.38 -0.49 0.11 0.00 -1.26 -4.54 120.64 116.45 2huz n GLU 127 Ca 0.00 -4.79 0.00 0.00 0.00 0.00 0.00 57.16 52.37 2huz n GLU 127 Cb 0.01 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.19 2huz n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2huz s ARG 129 N 0.00 3.51 0.00 0.00 1.81 -1.26 -2.46 118.95 120.55 2huz s ARG 129 Ca 0.00 2.16 0.00 0.00 -1.72 0.00 0.00 55.73 56.17 2huz s ARG 129 Cb 0.00 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2huz s ARG 129 CO 0.00 -0.87 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 2huz n GLY 130 N 0.63 1.18 1.00 -3.53 0.00 -1.26 -4.83 105.19 98.38 2huz n GLY 130 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2huz n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2huz n LYS 131 N -2.00 2.31 -1.83 1.61 4.76 -1.03 -4.99 118.16 117.00 2huz n LYS 131 Ca 0.00 -1.98 -0.15 0.00 -2.87 0.00 0.00 58.31 53.31 2huz n LYS 131 Cb 0.00 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 2huz n LYS 131 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2huz n GLN 132 N 1.20 -1.13 0.10 1.97 6.02 -1.26 -4.91 117.38 119.37 2huz n GLN 132 Ca 0.18 0.90 -0.20 0.00 -0.01 0.00 0.00 57.00 57.87 2huz n GLN 132 Cb 0.54 -5.14 -0.13 0.00 1.02 0.00 0.00 30.24 26.53 2huz n GLN 132 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2huz h LEU 133 N 0.00 0.72 -0.13 1.08 3.38 -1.94 -2.30 115.31 116.13 2huz h LEU 133 Ca -0.34 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 56.95 2huz h LEU 133 Cb 1.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2huz h LEU 133 CO 0.44 1.52 -0.20 1.23 0.09 0.00 0.00 178.44 181.53 2huz h GLY 134 N 0.70 -1.57 -0.40 0.83 0.00 -1.93 0.95 103.07 101.65 2huz h GLY 134 Ca -0.18 0.77 0.14 0.00 0.00 0.00 0.00 47.33 48.06 2huz h GLY 134 CO 0.23 -0.51 -0.17 0.50 0.00 0.00 0.00 176.54 176.60 2huz h LYS 135 N -0.16 0.00 0.49 4.80 1.57 -1.98 -1.64 116.57 119.66 2huz h LYS 135 Ca 0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2huz h LYS 135 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2huz h LYS 135 CO -0.20 0.00 -0.24 1.25 -0.57 0.00 0.00 179.45 179.70 2huz h LEU 136 N 0.00 -0.56 -0.70 2.94 5.85 -0.89 -0.44 115.31 121.52 2huz h LEU 136 Ca 0.34 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.17 2huz h LEU 136 Cb 0.52 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2huz h LEU 136 CO -0.72 -0.35 0.26 -0.07 -0.34 0.00 0.00 178.44 177.22 2huz h LEU 137 N -0.72 0.24 -0.56 2.25 3.38 -0.48 -0.07 115.31 119.33 2huz h LEU 137 Ca -0.07 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2huz h LEU 137 Cb 0.54 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2huz h LEU 137 CO 0.11 0.11 -0.64 0.25 0.09 0.00 0.00 178.44 178.36 2huz h LEU 138 N 0.42 0.36 -0.16 1.67 7.12 -1.06 -1.95 115.31 121.71 2huz h LEU 138 Ca 0.37 -0.21 -0.16 0.00 0.13 0.00 0.00 57.88 58.01 2huz h LEU 138 Cb 0.53 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.56 2huz h LEU 138 CO -0.37 0.90 -0.52 -1.28 -0.13 0.00 0.00 178.44 177.04 2huz h SER 139 N 0.23 0.72 -0.06 1.25 0.87 -0.66 -2.77 113.55 113.12 2huz h SER 139 Ca -0.01 -0.60 0.02 0.00 -1.23 0.00 0.00 61.79 59.97 2huz h SER 139 Cb 1.17 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2huz h SER 139 CO 0.10 1.20 -0.07 0.74 -0.53 0.00 0.00 176.83 178.28 2huz h THR 140 N 0.28 0.81 -0.07 2.23 2.02 -0.75 -1.35 112.91 116.08 2huz h THR 140 Ca -0.02 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 2huz h THR 140 Cb 1.14 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2huz h THR 140 CO 0.11 0.00 -0.83 -0.07 0.37 0.00 0.00 175.52 175.10 2huz h LEU 141 N -0.09 0.66 -0.42 2.58 3.38 -1.48 0.48 115.31 120.41 2huz h LEU 141 Ca 0.05 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.62 2huz h LEU 141 Cb 0.16 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2huz h LEU 141 CO -0.12 1.25 0.08 0.74 0.09 0.00 0.00 178.44 180.49 2huz h THR 142 N 0.35 0.78 0.00 0.22 2.02 -1.46 0.10 112.91 114.92 2huz h THR 142 Ca -0.06 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 2huz h THR 142 Cb 1.45 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2huz h THR 142 CO 0.15 0.04 -0.64 -0.07 0.37 0.00 0.00 175.52 175.37 2huz h LEU 143 N 0.22 0.00 -0.84 2.58 3.38 -1.02 -2.86 115.31 116.77 2huz h LEU 143 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2huz h LEU 143 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2huz h LEU 143 CO -0.27 0.64 -0.13 0.25 0.09 0.00 0.00 178.44 179.02 2huz h LEU 144 N 0.00 0.72 -0.68 1.67 5.85 0.51 -2.70 115.31 120.68 2huz h LEU 144 Ca -0.01 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2huz h LEU 144 Cb 1.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2huz h LEU 144 CO 0.08 0.87 0.22 0.77 -0.34 0.00 0.00 178.44 180.04 2huz h SER 145 N 0.66 0.98 -0.23 1.25 4.64 -0.66 -0.22 113.55 119.98 2huz h SER 145 Ca 0.11 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2huz h SER 145 Cb 0.60 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 2huz h SER 145 CO 0.04 0.92 -0.20 0.50 -0.87 0.00 0.00 176.83 177.22 2huz h LYS 146 N 0.98 -0.20 0.00 4.77 3.64 -1.27 -1.36 116.57 123.14 2huz h LYS 146 Ca 0.22 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2huz h LYS 146 Cb 0.29 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2huz h LYS 146 CO -0.01 -0.13 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.32 2huz h LYS 147 N -0.20 0.00 0.00 1.90 3.64 -1.17 0.16 116.57 120.89 2huz h LYS 147 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2huz h LYS 147 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2huz h LYS 147 CO -0.35 0.51 0.00 1.28 -2.27 0.00 0.00 179.45 178.61 2huz n LEU 148 N -3.83 0.00 -0.64 5.20 4.77 -0.13 -4.89 117.00 117.47 2huz n LEU 148 Ca -0.01 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2huz n LEU 148 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2huz n LEU 148 CO 0.40 -0.01 -0.04 0.59 -1.33 0.00 0.00 177.39 177.01 2huz n ASN 149 N -1.02 -2.24 -4.73 -1.43 4.13 0.55 -4.99 115.26 105.52 2huz n ASN 149 Ca 0.16 -0.03 -0.42 0.00 1.68 0.00 0.00 54.58 55.98 2huz n ASN 149 Cb 0.08 -1.47 -0.03 0.00 -1.54 0.00 0.00 39.78 36.82 2huz n ASN 149 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2huz h TYR 151 N 5.72 0.00 -3.45 0.00 -0.00 -1.43 -3.43 116.97 114.37 2huz h TYR 151 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.27 2huz h TYR 151 Cb 1.21 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 37.86 2huz h TYR 151 CO 0.63 0.35 -0.02 -1.59 -0.00 0.00 0.00 178.16 177.52 2huz s LYS 152 N -3.32 1.58 -0.01 0.10 -2.85 -1.26 -5.10 119.74 108.88 2huz s LYS 152 Ca 0.02 -1.14 -0.02 0.00 -1.00 0.00 0.00 55.97 53.84 2huz s LYS 152 Cb 0.09 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2huz s LYS 152 CO 0.69 -0.67 0.03 -1.50 0.10 0.00 0.00 175.35 174.00 2huz s ILE 153 N -3.97 0.03 0.15 3.79 2.07 -1.26 -1.47 121.20 120.54 2huz s ILE 153 Ca 0.18 -0.28 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 2huz s ILE 153 Cb -0.02 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 2huz s ILE 153 CO 0.07 -0.15 0.06 0.42 -1.91 0.00 0.00 174.94 173.43 2huz s THR 154 N -0.46 0.15 0.35 4.00 -4.23 -0.37 -4.97 115.64 110.12 2huz s THR 154 Ca -0.05 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 2huz s THR 154 Cb -0.03 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2huz s THR 154 CO -0.00 -0.39 0.70 -1.48 -0.54 0.00 0.00 174.62 172.91 2huz s LEU 155 N -3.08 0.18 -0.04 4.79 0.05 -1.26 -1.03 118.68 118.29 2huz s LEU 155 Ca 0.27 -1.12 0.02 0.00 0.05 0.00 0.00 54.13 53.35 2huz s LEU 155 Cb 0.07 2.50 0.01 0.00 -2.05 0.00 0.00 46.19 46.72 2huz s LEU 155 CO 0.04 -1.53 -0.10 -1.61 -0.55 0.00 0.00 176.35 172.60 2huz s GLU 156 N -2.79 1.17 0.06 1.48 8.01 -1.26 -5.04 118.70 120.33 2huz s GLU 156 Ca 0.18 -0.33 -0.11 0.00 0.01 0.00 0.00 54.97 54.72 2huz s GLU 156 Cb -0.04 -1.06 0.01 0.00 -4.31 0.00 0.00 34.13 28.73 2huz s GLU 156 CO 0.12 0.08 0.24 0.00 0.01 0.00 0.00 175.26 175.72 2huz s LEU 158 N -2.40 3.28 0.56 0.00 1.43 -1.26 -4.89 118.68 115.40 2huz s LEU 158 Ca -0.01 2.45 0.30 0.00 -1.03 0.00 0.00 54.13 55.84 2huz s LEU 158 Cb 0.01 -4.60 1.64 0.00 0.03 0.00 0.00 46.19 43.27 2huz s LEU 158 CO -0.07 -2.47 2.15 -0.65 0.23 0.00 0.00 176.35 175.54 2huz h PRO 159 N -0.45 0.00 0.00 1.29 0.11 -2.02 -1.35 132.00 129.58 2huz h PRO 159 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2huz h PRO 159 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2huz h PRO 159 CO 0.48 0.07 -0.19 1.96 -0.21 0.00 0.00 178.00 180.12 2huz h GLN 160 N 0.00 0.00 -0.04 1.05 7.50 -2.06 -2.69 115.11 118.87 2huz h GLN 160 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2huz h GLN 160 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.75 2huz h GLN 160 CO 0.01 0.14 0.00 0.09 -1.50 0.00 0.00 178.83 177.57 2huz n ASN 161 N -3.12 0.48 0.15 1.46 3.02 -0.51 -4.44 115.26 112.30 2huz n ASN 161 Ca 0.03 -1.44 -0.13 0.00 -0.03 0.00 0.00 54.58 53.01 2huz n ASN 161 Cb 0.59 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 2huz n ASN 161 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2huz h VAL 162 N 0.66 0.72 -1.30 2.41 2.07 -1.52 -2.78 116.25 116.51 2huz h VAL 162 Ca 0.00 -0.63 0.43 0.00 0.82 0.00 0.00 66.70 67.32 2huz h VAL 162 Cb 0.14 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 2huz h VAL 162 CO 0.00 0.12 0.84 1.23 0.02 0.00 0.00 177.57 179.78 2huz h GLY 163 N -0.75 1.35 0.90 2.17 0.00 -1.81 -1.18 103.07 103.74 2huz h GLY 163 Ca -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2huz h GLY 163 CO 0.07 -0.41 -0.00 -2.75 0.00 0.00 0.00 176.54 173.44 2huz h PHE 164 N 0.09 0.63 0.00 5.60 3.57 -1.79 -3.27 116.94 121.77 2huz h PHE 164 Ca 0.82 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 62.15 2huz h PHE 164 Cb 2.54 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 41.11 2huz h PHE 164 CO -0.01 0.70 -0.46 1.88 -2.23 0.00 0.00 178.31 178.19 2huz h TYR 165 N 0.38 0.00 -0.21 0.41 0.05 -1.20 -3.03 116.97 113.37 2huz h TYR 165 Ca 0.09 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.93 2huz h TYR 165 Cb 0.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 2huz h TYR 165 CO 0.04 0.27 0.19 0.87 -1.05 0.00 0.00 178.16 178.48 2huz h LYS 166 N 0.00 0.00 -0.58 4.88 1.57 -1.53 -2.26 116.57 118.65 2huz h LYS 166 Ca -0.02 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 2huz h LYS 166 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2huz h LYS 166 CO 0.03 0.00 0.47 0.87 -0.57 0.00 0.00 179.45 180.26 2huz h LYS 167 N 0.00 0.00 -0.27 3.15 1.57 -1.61 0.22 116.57 119.64 2huz h LYS 167 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2huz h LYS 167 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2huz h LYS 167 CO -0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 2huz n PHE 168 N -4.08 0.95 -1.57 -1.35 3.72 -0.86 -3.64 117.46 110.63 2huz n PHE 168 Ca 0.11 -0.87 -0.04 0.00 -0.05 0.00 0.00 57.45 56.60 2huz n PHE 168 Cb 0.70 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.92 2huz n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2huz n GLY 169 N -0.48 0.46 3.80 1.37 0.00 0.79 -5.00 105.19 106.13 2huz n GLY 169 Ca 0.21 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 2huz n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2huz s TYR 170 N -2.17 3.51 0.14 1.61 2.02 -1.18 -5.01 117.35 116.26 2huz s TYR 170 Ca 0.00 1.69 0.09 0.00 -0.37 0.00 0.00 57.07 58.47 2huz s TYR 170 Cb 0.00 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 2huz s TYR 170 CO 0.00 0.07 -0.20 0.95 -1.57 0.00 0.00 175.55 174.80 2huz s THR 171 N -1.88 1.82 0.26 -0.71 -4.23 -1.26 -4.09 115.64 105.54 2huz s THR 171 Ca 0.55 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 2huz s THR 171 Cb -0.14 -1.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.87 2huz s THR 171 CO 0.19 -0.17 1.32 -0.69 -0.54 0.00 0.00 174.62 174.72 2huz s VAL 172 N -1.58 2.97 0.41 2.29 1.01 -1.26 -5.01 120.40 119.22 2huz s VAL 172 Ca 0.12 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 62.90 2huz s VAL 172 Cb -0.08 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2huz s VAL 172 CO 0.06 0.16 0.70 -0.55 0.00 0.00 0.00 175.10 175.47 2huz s SER 173 N -0.00 6.35 0.00 3.32 0.15 -1.26 -4.95 113.70 117.30 2huz s SER 173 Ca 0.54 0.85 0.19 0.00 0.70 0.00 0.00 55.95 58.23 2huz s SER 173 Cb -0.38 -2.21 1.07 0.00 -1.71 0.00 0.00 66.02 62.78 2huz s SER 173 CO 0.44 -0.43 1.53 -0.62 1.20 0.00 0.00 173.24 175.35 2huz n GLU 174 N -1.78 0.49 -4.07 5.44 -0.58 -1.26 -4.86 120.64 114.03 2huz n GLU 174 Ca -0.00 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.42 2huz n GLU 174 Cb 0.55 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 2huz n GLU 174 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2huz s GLU 175 N -2.16 3.50 0.21 3.49 2.02 -1.26 -5.08 118.70 119.41 2huz s GLU 175 Ca 0.25 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 2huz s GLU 175 Cb 0.13 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 31.19 2huz s GLU 175 CO 0.23 0.58 1.10 -0.80 0.02 0.00 0.00 175.26 176.39 2huz s ASN 176 N -0.49 7.28 -0.27 -0.19 0.01 -1.26 -5.03 114.94 114.98 2huz s ASN 176 Ca 0.10 2.15 -0.13 0.00 -0.71 0.00 0.00 52.86 54.27 2huz s ASN 176 Cb -0.12 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 2huz s ASN 176 CO 0.02 -0.18 0.28 -0.47 -1.51 0.00 0.00 177.10 175.24 2huz s TYR 177 N -0.58 3.23 0.18 2.20 5.04 -1.26 -5.06 117.35 121.10 2huz s TYR 177 Ca 0.47 0.27 0.11 0.00 -2.44 0.00 0.00 57.07 55.49 2huz s TYR 177 Cb -0.30 -2.48 -0.04 0.00 0.35 0.00 0.00 41.96 39.49 2huz s TYR 177 CO 0.37 -0.20 -0.24 -1.64 -1.34 0.00 0.00 175.55 172.50 2huz s MET 178 N 1.92 1.48 -0.19 4.97 -1.94 -1.26 -5.13 119.30 119.15 2huz s MET 178 Ca 0.11 -1.48 -0.16 0.00 -1.71 0.00 0.00 55.69 52.45 2huz s MET 178 Cb -0.16 -1.83 0.05 0.00 2.01 0.00 0.00 34.83 34.91 2huz s MET 178 CO 0.10 0.40 0.51 0.00 -0.01 0.00 0.00 175.02 176.02 2huz s ARG 180 N 0.55 2.17 -0.16 0.00 3.52 -1.26 -5.13 118.95 118.64 2huz s ARG 180 Ca -0.02 -0.54 -0.10 0.00 -0.13 0.00 0.00 55.73 54.94 2huz s ARG 180 Cb -0.04 -1.89 -0.05 0.00 -1.56 0.00 0.00 34.95 31.41 2huz s ARG 180 CO -0.03 -0.10 0.18 1.03 -0.81 0.00 0.00 175.30 175.57 2huz s ARG 181 N 1.10 3.95 -0.15 5.12 0.52 -1.26 -5.00 118.95 123.23 2huz s ARG 181 Ca -0.04 -0.10 0.17 0.00 -0.52 0.00 0.00 55.73 55.24 2huz s ARG 181 Cb -0.14 -3.34 -0.25 0.00 0.52 0.00 0.00 34.95 31.74 2huz s ARG 181 CO -0.03 0.47 0.24 1.19 0.02 0.00 0.00 175.30 177.18 2huz n PHE 182 N 2.94 0.23 0.07 -0.53 3.72 -1.26 -4.63 117.46 118.00 2huz n PHE 182 Ca -0.16 0.08 -0.04 0.00 -0.05 0.00 0.00 57.45 57.27 2huz n PHE 182 Cb 0.53 -1.01 -0.09 0.00 -0.94 0.00 0.00 39.48 37.97 2huz n PHE 182 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2huz h LEU 183 N 0.00 0.00 0.00 4.37 3.38 -2.08 -3.59 115.31 117.39 2huz h LEU 183 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2huz h LEU 183 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 2huz h LEU 183 CO 0.04 0.85 0.00 1.17 0.09 0.00 0.00 178.44 180.59