#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hei s VAL 2 N 0.00 2.61 -0.14 2.62 1.01 0.12 -4.94 120.40 121.68 3hei s VAL 2 Ca 0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 3hei s VAL 2 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3hei s VAL 2 CO 0.00 0.50 0.61 -0.69 0.00 0.00 0.00 175.10 175.52 3hei s VAL 3 N 1.24 5.07 -0.09 2.92 1.01 -1.26 -1.25 120.40 128.04 3hei s VAL 3 Ca 0.03 1.20 0.14 0.00 0.00 0.00 0.00 61.98 63.35 3hei s VAL 3 Cb -0.14 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.09 3hei s VAL 3 CO -0.07 0.20 0.18 0.18 0.00 0.00 0.00 175.10 175.60 3hei n LEU 4 N 4.35 0.00 -3.71 3.92 4.77 0.11 -4.99 117.00 121.45 3hei n LEU 4 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 3hei n LEU 4 Cb 0.51 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 3hei n LEU 4 CO 0.45 0.20 0.12 -0.22 -1.33 0.00 0.00 177.39 176.61 3hei s LEU 5 N -4.63 0.42 -0.33 2.23 2.96 -0.99 -4.88 118.68 113.45 3hei s LEU 5 Ca -0.07 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3hei s LEU 5 Cb 0.07 1.56 0.17 0.00 0.50 0.00 0.00 46.19 48.49 3hei s LEU 5 CO 0.62 -0.37 0.49 -0.62 -1.32 0.00 0.00 176.35 175.16 3hei s ASP 6 N -0.73 -0.32 0.09 3.68 3.68 -1.25 -0.96 116.67 120.85 3hei s ASP 6 Ca -0.08 -0.60 -0.27 0.00 2.13 0.00 0.00 52.55 53.73 3hei s ASP 6 Cb -0.04 1.39 -0.13 0.00 -1.45 0.00 0.00 42.92 42.69 3hei s ASP 6 CO 0.04 -0.28 1.68 0.15 0.13 0.00 0.00 175.17 176.88 3hei h PHE 7 N 7.64 -0.44 -0.32 -5.34 3.57 -1.47 -2.78 116.94 117.79 3hei h PHE 7 Ca -0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3hei h PHE 7 Cb 1.14 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 3hei h PHE 7 CO 0.25 -0.26 0.23 0.00 -2.23 0.00 0.00 178.31 176.30 3hei h ALA 8 N 0.36 2.14 0.00 2.41 0.00 -1.81 -1.26 119.26 121.11 3hei h ALA 8 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hei h ALA 8 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hei h ALA 8 CO -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3hei h ALA 9 N 1.83 1.00 0.00 0.00 0.00 -1.88 -2.95 119.26 117.26 3hei h ALA 9 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hei h ALA 9 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hei h ALA 9 CO -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.14 3hei n ALA 10 N -1.87 2.44 -3.50 0.00 0.00 -0.47 -4.92 120.51 112.20 3hei n ALA 10 Ca 0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3hei n ALA 10 Cb 0.24 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.35 3hei n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hei n GLY 11 N 1.40 -0.43 3.15 0.00 0.00 -1.12 -1.71 105.19 106.47 3hei n GLY 11 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3hei n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hei n GLY 12 N -1.72 1.44 0.05 -0.02 0.00 -1.26 -4.88 105.19 98.79 3hei n GLY 12 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3hei n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hei n GLU 13 N -2.00 0.60 -3.72 1.61 1.02 -0.70 -4.75 120.64 112.71 3hei n GLU 13 Ca 0.00 -0.09 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 3hei n GLU 13 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 3hei n GLU 13 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hei s LEU 14 N -2.46 3.57 -0.12 -4.62 0.20 -1.26 -5.09 118.68 108.90 3hei s LEU 14 Ca 0.31 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.96 3hei s LEU 14 Cb 0.20 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 3hei s LEU 14 CO 0.46 -0.04 -0.10 -0.83 -0.29 0.00 0.00 176.35 175.55 3hei s GLY 15 N 1.64 1.61 0.08 7.98 0.00 -1.26 -5.08 107.32 112.30 3hei s GLY 15 Ca 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3hei s GLY 15 CO 0.05 -0.28 0.00 -0.98 0.00 0.00 0.00 173.10 171.90 3hei s TRP 16 N 0.09 3.01 0.39 1.90 0.51 -1.26 -4.83 118.94 118.75 3hei s TRP 16 Ca -0.04 -0.01 -0.27 0.00 -2.12 0.00 0.00 56.10 53.66 3hei s TRP 16 Cb -0.14 -1.55 -0.10 0.00 -0.81 0.00 0.00 33.47 30.86 3hei s TRP 16 CO 0.04 0.48 1.44 -1.17 -0.51 0.00 0.00 176.95 177.23 3hei s LEU 17 N -2.23 4.27 0.03 2.99 0.20 -1.00 -4.81 118.68 118.12 3hei s LEU 17 Ca 0.25 2.95 0.06 0.00 0.69 0.00 0.00 54.13 58.09 3hei s LEU 17 Cb -0.12 -3.75 -0.02 0.00 -0.43 0.00 0.00 46.19 41.87 3hei s LEU 17 CO 0.18 -0.92 -0.18 0.42 -0.29 0.00 0.00 176.35 175.56 3hei s THR 18 N -1.15 1.41 -0.04 3.68 -4.23 -1.26 -1.14 115.64 112.91 3hei s THR 18 Ca 0.55 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.00 3hei s THR 18 Cb -0.44 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.18 3hei s THR 18 CO 0.59 0.17 0.08 -2.28 -0.54 0.00 0.00 174.62 172.65 3hei s HIS 19 N -0.74 -0.08 0.55 3.99 5.04 -0.41 -3.80 115.29 119.85 3hei s HIS 19 Ca 0.05 0.26 -0.20 0.00 -1.54 0.00 0.00 55.06 53.62 3hei s HIS 19 Cb -0.08 -0.05 -0.05 0.00 0.04 0.00 0.00 32.58 32.44 3hei s HIS 19 CO 0.01 -0.08 1.23 -2.14 -2.34 0.00 0.00 174.74 171.42 3hei s PRO 20 N 0.52 3.18 0.22 2.88 0.02 -1.26 -0.28 135.00 140.28 3hei s PRO 20 Ca -0.04 1.91 -0.32 0.00 0.02 0.00 0.00 61.00 62.57 3hei s PRO 20 Cb -0.06 -2.11 -0.14 0.00 0.02 0.00 0.00 34.50 32.22 3hei s PRO 20 CO -0.02 -1.06 1.42 0.98 -0.33 0.00 0.00 177.00 178.00 3hei n TYR 21 N -1.21 2.13 -0.95 6.54 9.36 -1.25 -2.58 117.16 129.20 3hei n TYR 21 Ca 0.11 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.76 3hei n TYR 21 Cb 0.48 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3hei n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hei n GLY 22 N 2.35 0.65 3.38 2.98 0.00 -1.26 -4.98 105.19 108.30 3hei n GLY 22 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3hei n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hei s LYS 23 N -0.24 1.40 3.64 1.61 1.02 -1.07 -5.06 119.74 121.04 3hei s LYS 23 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.51 3hei s LYS 23 Cb 0.00 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 3hei s LYS 23 CO 0.00 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3hei n GLY 24 N 0.19 0.55 3.76 -3.33 0.00 -1.26 -4.58 105.19 100.53 3hei n GLY 24 Ca -0.12 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3hei n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hei s TRP 25 N 0.00 2.73 -0.01 1.61 0.52 -1.26 -4.69 118.94 117.84 3hei s TRP 25 Ca 0.00 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.58 3hei s TRP 25 Cb 0.00 -3.60 0.01 0.00 -1.15 0.00 0.00 33.47 28.73 3hei s TRP 25 CO 0.00 -2.05 -0.03 -0.51 0.02 0.00 0.00 176.95 174.38 3hei s ASP 26 N -1.00 0.52 -0.13 2.95 1.01 -0.32 -4.93 116.67 114.77 3hei s ASP 26 Ca 0.62 -0.07 -0.29 0.00 0.71 0.00 0.00 52.55 53.52 3hei s ASP 26 Cb -0.35 -0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 3hei s ASP 26 CO 0.44 0.01 1.41 -0.22 0.21 0.00 0.00 175.17 177.01 3hei s LEU 27 N 0.23 4.21 0.27 1.23 2.96 -1.26 -1.12 118.68 125.19 3hei s LEU 27 Ca -0.02 1.85 0.10 0.00 -0.22 0.00 0.00 54.13 55.85 3hei s LEU 27 Cb -0.05 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3hei s LEU 27 CO -0.00 -0.84 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.07 3hei s MET 28 N 3.74 2.10 -0.03 1.98 -1.94 0.12 -4.94 119.30 120.33 3hei s MET 28 Ca 0.62 -1.51 0.07 0.00 -1.71 0.00 0.00 55.69 53.15 3hei s MET 28 Cb -0.25 -2.04 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 3hei s MET 28 CO 0.20 0.36 -0.24 -0.65 -0.01 0.00 0.00 175.02 174.68 3hei s GLN 29 N -3.57 2.06 0.19 2.03 -0.21 -1.26 -1.34 119.66 117.56 3hei s GLN 29 Ca 0.31 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.70 3hei s GLN 29 Cb -0.06 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 32.03 3hei s GLN 29 CO 0.18 0.48 0.41 -0.80 -2.12 0.00 0.00 175.29 173.45 3hei s ASN 30 N -0.46 -0.10 -0.16 5.90 0.01 -0.13 -5.00 114.94 114.99 3hei s ASN 30 Ca 0.06 -0.74 -0.07 0.00 -0.71 0.00 0.00 52.86 51.39 3hei s ASN 30 Cb -0.10 0.52 -0.04 0.00 0.41 0.00 0.00 41.25 42.04 3hei s ASN 30 CO 0.00 -1.01 0.10 -0.63 -1.51 0.00 0.00 177.10 174.05 3hei s ILE 31 N -3.95 5.11 -0.05 0.60 1.01 -1.26 -0.76 121.20 121.90 3hei s ILE 31 Ca 0.15 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.89 3hei s ILE 31 Cb 0.01 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3hei s ILE 31 CO 0.01 0.51 -0.05 -0.32 0.00 0.00 0.00 174.94 175.09 3hei s MET 32 N -0.12 0.91 -1.45 2.79 1.75 -0.33 -4.84 119.30 118.01 3hei s MET 32 Ca 0.09 -0.13 -0.06 0.00 -1.25 0.00 0.00 55.69 54.33 3hei s MET 32 Cb -0.12 -0.90 0.04 0.00 2.84 0.00 0.00 34.83 36.70 3hei s MET 32 CO 0.01 -0.07 0.71 0.09 -0.65 0.00 0.00 175.02 175.10 3hei n ASN 33 N 4.04 -2.16 -1.39 1.11 3.02 -1.26 -1.00 115.26 117.62 3hei n ASN 33 Ca -0.24 -0.89 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 3hei n ASN 33 Cb 0.51 -3.56 -0.08 0.00 -0.61 0.00 0.00 39.78 36.04 3hei n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hei n ASP 34 N -2.93 -5.49 -4.34 6.41 8.00 -1.26 -5.01 116.55 111.94 3hei n ASP 34 Ca -0.17 0.45 -0.25 0.00 0.71 0.00 0.00 54.79 55.53 3hei n ASP 34 Cb 0.62 -4.59 -0.12 0.00 -0.02 0.00 0.00 41.12 37.01 3hei n ASP 34 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hei s MET 35 N -3.53 1.27 0.07 -1.24 -1.94 -0.17 -5.11 119.30 108.65 3hei s MET 35 Ca 0.00 -1.31 -0.30 0.00 -1.71 0.00 0.00 55.69 52.37 3hei s MET 35 Cb 0.00 -1.55 -0.05 0.00 2.01 0.00 0.00 34.83 35.24 3hei s MET 35 CO 0.00 0.35 1.08 -1.25 -0.01 0.00 0.00 175.02 175.19 3hei s PRO 36 N -2.25 4.54 0.14 2.03 0.04 -1.26 -1.19 135.00 137.04 3hei s PRO 36 Ca 0.12 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3hei s PRO 36 Cb -0.09 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 3hei s PRO 36 CO 0.06 -0.07 -0.08 0.96 0.04 0.00 0.00 177.00 177.91 3hei s ILE 37 N 0.65 0.97 0.20 0.56 -4.36 0.06 -4.95 121.20 114.33 3hei s ILE 37 Ca 0.53 -2.01 0.10 0.00 -0.26 0.00 0.00 60.65 59.01 3hei s ILE 37 Cb -0.26 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3hei s ILE 37 CO 0.30 -0.74 -0.20 -0.31 0.24 0.00 0.00 174.94 174.23 3hei s TYR 38 N -3.45 2.07 0.07 1.37 1.51 -1.26 -0.96 117.35 116.69 3hei s TYR 38 Ca 0.16 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.59 3hei s TYR 38 Cb 0.04 -0.99 0.05 0.00 -0.11 0.00 0.00 41.96 40.95 3hei s TYR 38 CO -0.00 0.47 0.53 0.00 -1.11 0.00 0.00 175.55 175.44 3hei s MET 39 N -3.00 1.08 -0.17 -0.62 0.23 -0.45 -4.76 119.30 111.62 3hei s MET 39 Ca 0.21 -0.28 -0.15 0.00 -1.03 0.00 0.00 55.69 54.44 3hei s MET 39 Cb -0.06 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 3hei s MET 39 CO 0.09 -0.41 0.36 0.71 -2.03 0.00 0.00 175.02 173.75 3hei s TYR 40 N -2.70 3.44 0.05 3.16 1.51 -0.77 0.14 117.35 122.19 3hei s TYR 40 Ca -0.04 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.73 3hei s TYR 40 Cb -0.00 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 3hei s TYR 40 CO -0.04 0.15 -0.17 0.45 -1.11 0.00 0.00 175.55 174.83 3hei s SER 41 N 0.68 2.08 -0.01 2.29 0.15 -0.28 0.20 113.70 118.81 3hei s SER 41 Ca 0.19 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.19 3hei s SER 41 Cb -0.14 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 3hei s SER 41 CO 0.06 0.08 0.29 0.54 1.20 0.00 0.00 173.24 175.41 3hei s VAL 42 N -0.88 0.06 -0.38 4.45 0.11 -0.56 -1.18 120.40 122.02 3hei s VAL 42 Ca 0.04 -0.52 0.10 0.00 -2.93 0.00 0.00 61.98 58.67 3hei s VAL 42 Cb -0.09 -0.61 0.38 0.00 -1.53 0.00 0.00 36.38 34.53 3hei s VAL 42 CO 0.02 -0.29 1.39 0.00 -3.33 0.00 0.00 175.10 172.89 3hei n ASN 44 N -0.78 5.87 -0.07 0.00 5.03 -1.24 -4.74 115.26 119.33 3hei n ASN 44 Ca -0.07 -3.15 0.12 0.00 0.87 0.00 0.00 54.58 52.36 3hei n ASN 44 Cb 0.85 -1.43 0.33 0.00 -1.02 0.00 0.00 39.78 38.50 3hei n ASN 44 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3hei n VAL 45 N 2.78 0.00 -0.07 2.41 0.24 -1.26 -4.22 118.33 118.22 3hei n VAL 45 Ca 0.44 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.57 3hei n VAL 45 Cb 0.33 0.22 -0.14 0.00 -1.47 0.00 0.00 33.84 32.78 3hei n VAL 45 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hei n MET 46 N -1.24 0.68 -3.77 7.34 2.81 -1.26 -2.95 117.12 118.72 3hei n MET 46 Ca 0.08 0.15 -0.37 0.00 -1.81 0.00 0.00 57.70 55.76 3hei n MET 46 Cb 0.34 -1.63 -0.06 0.00 -0.71 0.00 0.00 33.22 31.16 3hei n MET 46 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hei s SER 47 N -6.11 6.51 0.04 7.83 1.04 -1.26 -4.50 113.70 117.25 3hei s SER 47 Ca -0.15 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3hei s SER 47 Cb 0.07 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3hei s SER 47 CO 0.78 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.95 3hei n GLY 48 N 1.70 -0.22 2.61 7.32 0.00 -1.26 -4.56 105.19 110.79 3hei n GLY 48 Ca -0.16 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 3hei n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hei n ASP 49 N -0.15 -4.94 -4.77 1.61 10.43 -1.26 -4.96 116.55 112.51 3hei n ASP 49 Ca 0.00 -0.02 -0.39 0.00 2.57 0.00 0.00 54.79 56.95 3hei n ASP 49 Cb 0.00 -4.11 -0.06 0.00 1.84 0.00 0.00 41.12 38.79 3hei n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hei s GLN 50 N -5.25 4.38 -0.47 -1.24 -1.52 -1.26 -4.99 119.66 109.30 3hei s GLN 50 Ca 0.09 0.88 0.06 0.00 -1.95 0.00 0.00 55.36 54.44 3hei s GLN 50 Cb -0.04 -3.32 0.21 0.00 -0.22 0.00 0.00 33.01 29.64 3hei s GLN 50 CO 0.11 0.42 0.67 -3.47 -0.25 0.00 0.00 175.29 172.77 3hei n ASP 51 N 2.42 -2.25 -4.43 5.90 4.64 -1.24 -4.40 116.55 117.19 3hei n ASP 51 Ca -0.06 -2.89 -0.34 0.00 -1.38 0.00 0.00 54.79 50.12 3hei n ASP 51 Cb 0.50 1.01 -0.13 0.00 -1.04 0.00 0.00 41.12 41.46 3hei n ASP 51 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3hei s ASN 52 N -0.25 4.68 -0.06 1.67 0.01 -0.02 -4.41 114.94 116.55 3hei s ASN 52 Ca 0.32 -0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 3hei s ASN 52 Cb 0.09 -1.78 -0.03 0.00 0.41 0.00 0.00 41.25 39.94 3hei s ASN 52 CO -0.14 0.08 -0.12 0.26 -1.51 0.00 0.00 177.10 175.67 3hei s TRP 53 N 0.87 2.77 -0.16 2.20 0.52 0.61 -0.17 118.94 125.57 3hei s TRP 53 Ca -0.00 -0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.00 3hei s TRP 53 Cb -0.14 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 3hei s TRP 53 CO 0.02 0.21 -0.18 -1.17 0.02 0.00 0.00 176.95 175.84 3hei s LEU 54 N -0.70 1.96 -0.06 2.99 2.96 -0.01 -1.29 118.68 124.54 3hei s LEU 54 Ca 0.11 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3hei s LEU 54 Cb -0.11 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3hei s LEU 54 CO 0.01 -0.01 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.22 3hei s ARG 55 N 1.27 2.56 0.94 1.98 3.52 -0.29 0.11 118.95 129.05 3hei s ARG 55 Ca 0.03 -0.84 -0.12 0.00 -0.13 0.00 0.00 55.73 54.66 3hei s ARG 55 Cb -0.13 -2.24 0.15 0.00 -1.56 0.00 0.00 34.95 31.17 3hei s ARG 55 CO -0.10 0.44 1.10 0.95 -0.81 0.00 0.00 175.30 176.88 3hei s THR 56 N -0.29 2.25 1.05 4.11 -4.23 -0.19 -2.38 115.64 115.96 3hei s THR 56 Ca 0.01 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 3hei s THR 56 Cb -0.13 -2.66 0.22 0.00 1.34 0.00 0.00 72.50 71.27 3hei s THR 56 CO 0.03 -0.11 1.08 0.54 -0.54 0.00 0.00 174.62 175.62 3hei s ASN 57 N -3.64 1.85 0.16 3.99 4.22 -1.26 -4.72 114.94 115.54 3hei s ASN 57 Ca 0.64 1.78 -0.30 0.00 -2.14 0.00 0.00 52.86 52.84 3hei s ASN 57 Cb -0.17 -2.41 -0.07 0.00 1.28 0.00 0.00 41.25 39.88 3hei s ASN 57 CO 0.56 -3.70 1.12 0.86 -2.04 0.00 0.00 177.10 173.89 3hei s TRP 58 N -2.56 3.56 -0.11 1.54 -0.00 -1.26 -4.62 118.94 115.49 3hei s TRP 58 Ca 0.67 1.55 0.02 0.00 -0.00 0.00 0.00 56.10 58.35 3hei s TRP 58 Cb -0.24 -3.30 -0.01 0.00 -0.00 0.00 0.00 33.47 29.93 3hei s TRP 58 CO 0.62 -0.71 -0.19 0.08 -0.00 0.00 0.00 176.95 176.74 3hei s VAL 59 N -0.04 2.47 0.02 5.86 1.01 0.22 -4.92 120.40 125.03 3hei s VAL 59 Ca 0.51 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3hei s VAL 59 Cb -0.29 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hei s VAL 59 CO 0.34 0.55 1.08 -0.47 0.00 0.00 0.00 175.10 176.60 3hei s TYR 60 N 0.33 3.54 0.28 5.22 5.04 -1.26 -1.11 117.35 129.39 3hei s TYR 60 Ca -0.15 1.50 0.05 0.00 -2.44 0.00 0.00 57.07 56.03 3hei s TYR 60 Cb -0.17 -3.26 0.40 0.00 0.35 0.00 0.00 41.96 39.28 3hei s TYR 60 CO 0.08 -0.62 1.68 -0.09 -1.34 0.00 0.00 175.55 175.25 3hei h ARG 61 N 6.84 0.30 0.00 4.97 2.43 -1.36 -3.48 114.38 124.09 3hei h ARG 61 Ca -0.41 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3hei h ARG 61 Cb 1.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3hei h ARG 61 CO 0.79 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 180.33 3hei n GLY 62 N -0.14 3.95 1.42 2.80 0.00 -1.26 -1.81 105.19 110.15 3hei n GLY 62 Ca -0.02 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3hei n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hei n GLU 63 N 14.00 3.31 -1.93 1.61 0.28 -1.26 -4.98 120.64 131.67 3hei n GLU 63 Ca 0.00 -2.76 -0.41 0.00 -0.16 0.00 0.00 57.16 53.83 3hei n GLU 63 Cb 0.00 -1.74 -0.01 0.00 1.43 0.00 0.00 31.44 31.12 3hei n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hei s ALA 64 N -1.52 3.59 -0.14 -1.84 0.00 -0.75 -4.91 121.76 116.19 3hei s ALA 64 Ca 0.48 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.90 3hei s ALA 64 Cb 0.29 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 3hei s ALA 64 CO 0.27 -0.86 -0.10 0.39 0.00 0.00 0.00 175.76 175.45 3hei n GLU 65 N 1.25 0.64 -5.22 0.00 1.02 -1.26 -4.73 120.64 112.33 3hei n GLU 65 Ca 0.03 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 3hei n GLU 65 Cb 0.40 -1.28 -0.17 0.00 -0.02 0.00 0.00 31.44 30.37 3hei n GLU 65 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hei s ARG 66 N -2.28 2.93 0.07 3.49 3.52 -1.26 0.12 118.95 125.54 3hei s ARG 66 Ca -0.17 -0.88 0.04 0.00 -0.13 0.00 0.00 55.73 54.59 3hei s ARG 66 Cb 0.05 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 3hei s ARG 66 CO 0.35 0.22 -0.01 0.96 -0.81 0.00 0.00 175.30 176.01 3hei s ILE 67 N 0.24 4.00 -0.08 4.11 -4.36 -0.47 -4.54 121.20 120.11 3hei s ILE 67 Ca -0.16 -0.90 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 3hei s ILE 67 Cb -0.17 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.65 3hei s ILE 67 CO 0.08 0.19 -0.16 -0.36 0.24 0.00 0.00 174.94 174.93 3hei s PHE 68 N -1.24 2.68 -0.24 1.37 0.40 0.10 -1.53 117.98 119.52 3hei s PHE 68 Ca 0.24 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 3hei s PHE 68 Cb -0.12 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.79 3hei s PHE 68 CO 0.16 -0.02 -0.03 0.42 0.70 0.00 0.00 175.22 176.45 3hei s ILE 69 N -0.28 1.42 -0.14 0.64 1.01 0.82 -0.77 121.20 123.90 3hei s ILE 69 Ca 0.02 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.42 3hei s ILE 69 Cb -0.13 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3hei s ILE 69 CO 0.03 -0.17 -0.03 -0.70 0.00 0.00 0.00 174.94 174.07 3hei s GLU 70 N 1.43 3.55 -0.06 2.79 2.12 0.49 -1.12 118.70 127.91 3hei s GLU 70 Ca -0.04 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.85 3hei s GLU 70 Cb -0.19 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 3hei s GLU 70 CO -0.07 0.33 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.26 3hei s LEU 71 N 0.13 2.36 -0.10 2.70 1.43 0.02 -1.42 118.68 123.80 3hei s LEU 71 Ca -0.00 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3hei s LEU 71 Cb -0.13 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3hei s LEU 71 CO 0.03 0.28 -0.22 -0.54 0.23 0.00 0.00 176.35 176.13 3hei s LYS 72 N -0.38 2.87 0.13 1.70 1.02 -0.42 -1.28 119.74 123.38 3hei s LYS 72 Ca 0.03 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 3hei s LYS 72 Cb -0.12 -2.20 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 3hei s LYS 72 CO 0.02 0.14 0.58 -0.59 -0.92 0.00 0.00 175.35 174.57 3hei s PHE 73 N 0.45 -0.50 0.25 3.18 -0.12 -0.47 -0.97 117.98 119.79 3hei s PHE 73 Ca -0.17 0.36 0.10 0.00 -0.05 0.00 0.00 56.93 57.16 3hei s PHE 73 Cb -0.17 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3hei s PHE 73 CO 0.07 -0.79 -0.03 0.95 -0.05 0.00 0.00 175.22 175.36 3hei s THR 74 N -3.43 3.35 -0.04 -4.49 -4.23 -0.49 -0.61 115.64 105.70 3hei s THR 74 Ca -0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3hei s THR 74 Cb -0.01 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 71.08 3hei s THR 74 CO -0.10 -0.34 0.11 -0.69 -0.54 0.00 0.00 174.62 173.06 3hei s VAL 75 N -2.25 -0.02 -0.05 2.29 1.01 -1.26 -2.24 120.40 117.88 3hei s VAL 75 Ca 0.30 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 3hei s VAL 75 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 3hei s VAL 75 CO 0.19 0.03 0.27 -0.60 0.00 0.00 0.00 175.10 174.99 3hei s ARG 76 N 0.44 3.66 0.18 2.72 3.52 -0.33 -0.32 118.95 128.82 3hei s ARG 76 Ca -0.03 0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.37 3hei s ARG 76 Cb -0.05 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 30.07 3hei s ARG 76 CO -0.02 0.72 1.45 0.34 -0.81 0.00 0.00 175.30 176.98 3hei s ASP 77 N -1.15 6.72 0.63 -2.12 2.15 0.13 -4.71 116.67 118.32 3hei s ASP 77 Ca 0.21 2.52 0.34 0.00 0.43 0.00 0.00 52.55 56.05 3hei s ASP 77 Cb -0.14 -2.60 1.92 0.00 -0.30 0.00 0.00 42.92 41.80 3hei s ASP 77 CO 0.10 -0.70 2.16 0.00 -0.17 0.00 0.00 175.17 176.56 3hei n ASN 79 N -3.36 0.69 -0.49 0.00 5.03 -1.26 -3.77 115.26 112.09 3hei n ASN 79 Ca -0.01 -1.04 0.13 0.00 0.87 0.00 0.00 54.58 54.52 3hei n ASN 79 Cb 0.24 -0.02 0.48 0.00 -1.02 0.00 0.00 39.78 39.46 3hei n ASN 79 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hei n SER 80 N -0.57 1.51 -4.62 6.41 3.41 -0.50 -4.85 113.62 114.41 3hei n SER 80 Ca 0.19 -1.57 -0.38 0.00 -0.26 0.00 0.00 58.87 56.85 3hei n SER 80 Cb 0.25 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 3hei n SER 80 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hei s PHE 81 N -1.92 3.27 0.18 7.33 0.40 -1.25 -4.82 117.98 121.17 3hei s PHE 81 Ca 0.36 0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 56.89 3hei s PHE 81 Cb 0.20 -2.48 0.15 0.00 0.51 0.00 0.00 43.02 41.40 3hei s PHE 81 CO 0.31 -0.14 1.68 -1.35 0.70 0.00 0.00 175.22 176.42 3hei h PRO 82 N 8.01 0.08 -0.10 0.24 0.11 -1.95 0.37 132.00 138.77 3hei h PRO 82 Ca -0.34 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.78 3hei h PRO 82 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hei h PRO 82 CO 0.63 0.06 -0.06 0.41 -0.21 0.00 0.00 178.00 178.83 3hei n GLY 83 N -1.30 -0.78 0.00 -0.55 0.00 -1.26 -4.90 105.19 96.40 3hei n GLY 83 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hei n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hei n GLY 84 N -1.03 3.73 1.61 -0.02 0.00 0.13 -4.98 105.19 104.64 3hei n GLY 84 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 3hei n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hei n ALA 85 N 0.00 -2.86 0.80 4.61 0.00 -1.26 -4.68 120.51 117.12 3hei n ALA 85 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3hei n ALA 85 Cb 0.00 -0.28 0.51 0.00 0.00 0.00 0.00 19.45 19.68 3hei n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hei n SER 86 N -0.54 0.07 -2.42 0.00 2.88 -1.26 -2.81 113.62 109.54 3hei n SER 86 Ca 0.01 0.51 -0.15 0.00 -1.33 0.00 0.00 58.87 57.91 3hei n SER 86 Cb 0.08 -0.53 0.03 0.00 -0.75 0.00 0.00 64.21 63.04 3hei n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hei n SER 87 N -1.57 3.43 -4.83 -3.46 3.41 -1.21 -5.07 113.62 104.32 3hei n SER 87 Ca 0.06 -3.06 -0.34 0.00 -0.26 0.00 0.00 58.87 55.26 3hei n SER 87 Cb 0.29 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 3hei n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hei s LYS 89 N -2.55 1.21 -0.04 0.00 -0.14 0.08 -4.96 119.74 113.34 3hei s LYS 89 Ca 0.49 -1.48 0.06 0.00 -1.36 0.00 0.00 55.97 53.68 3hei s LYS 89 Cb -0.13 -0.99 0.09 0.00 -1.68 0.00 0.00 37.83 35.12 3hei s LYS 89 CO 0.19 0.16 0.99 0.39 -0.76 0.00 0.00 175.35 176.33 3hei n GLU 90 N -0.13 2.00 -4.47 1.68 1.02 -1.26 -4.00 120.64 115.48 3hei n GLU 90 Ca -0.10 -1.69 -0.23 0.00 -0.02 0.00 0.00 57.16 55.13 3hei n GLU 90 Cb 0.60 -1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 3hei n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hei s THR 91 N -1.39 1.45 0.17 2.62 -4.23 -1.26 -4.38 115.64 108.61 3hei s THR 91 Ca 0.09 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 3hei s THR 91 Cb 0.08 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 3hei s THR 91 CO 0.01 -0.08 0.24 0.72 -0.54 0.00 0.00 174.62 174.97 3hei s PHE 92 N -3.12 0.55 -0.05 3.99 -0.12 -0.92 -4.61 117.98 113.71 3hei s PHE 92 Ca 0.34 -0.91 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 3hei s PHE 92 Cb 0.08 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 3hei s PHE 92 CO 0.15 -0.69 -0.08 -0.80 -0.05 0.00 0.00 175.22 173.75 3hei s ASN 93 N -3.00 4.57 -0.10 1.98 0.01 -0.66 0.02 114.94 117.75 3hei s ASN 93 Ca 0.21 -0.07 -0.00 0.00 -0.71 0.00 0.00 52.86 52.28 3hei s ASN 93 Cb 0.04 -1.11 -0.02 0.00 0.41 0.00 0.00 41.25 40.57 3hei s ASN 93 CO 0.02 0.34 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.64 3hei s LEU 94 N -0.95 2.99 0.14 0.60 2.96 -0.13 -1.09 118.68 123.19 3hei s LEU 94 Ca 0.13 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3hei s LEU 94 Cb -0.11 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3hei s LEU 94 CO 0.03 0.26 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.96 3hei s TYR 95 N -0.20 1.11 0.16 5.38 1.51 0.08 -0.05 117.35 125.33 3hei s TYR 95 Ca 0.02 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.16 3hei s TYR 95 Cb -0.13 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3hei s TYR 95 CO 0.03 -0.10 0.10 1.52 -1.11 0.00 0.00 175.55 175.99 3hei s TYR 96 N -3.55 0.97 -0.10 2.71 -0.85 -0.36 -0.96 117.35 115.21 3hei s TYR 96 Ca 0.17 -1.28 -0.10 0.00 -0.52 0.00 0.00 57.07 55.35 3hei s TYR 96 Cb 0.05 -0.49 0.03 0.00 0.38 0.00 0.00 41.96 41.92 3hei s TYR 96 CO -0.00 -0.59 0.27 0.00 -1.52 0.00 0.00 175.55 173.72 3hei s ALA 97 N -4.09 -0.68 0.14 9.51 0.00 -0.54 -0.86 121.76 125.23 3hei s ALA 97 Ca 0.30 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3hei s ALA 97 Cb 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 3hei s ALA 97 CO 0.06 -0.13 0.37 -1.21 0.00 0.00 0.00 175.76 174.85 3hei s GLU 98 N 0.13 3.62 0.09 0.00 2.02 -1.26 0.30 118.70 123.59 3hei s GLU 98 Ca -0.00 -0.09 -0.22 0.00 0.02 0.00 0.00 54.97 54.68 3hei s GLU 98 Cb -0.02 -2.86 0.06 0.00 0.10 0.00 0.00 34.13 31.41 3hei s GLU 98 CO 0.00 0.48 0.54 -1.54 0.02 0.00 0.00 175.26 174.76 3hei s SER 99 N -2.40 -0.46 0.07 -0.19 1.04 -0.61 -4.95 113.70 106.19 3hei s SER 99 Ca 0.40 0.06 0.25 0.00 0.48 0.00 0.00 55.95 57.14 3hei s SER 99 Cb -0.12 0.53 0.45 0.00 0.10 0.00 0.00 66.02 66.97 3hei s SER 99 CO 0.24 -0.82 1.38 0.47 0.98 0.00 0.00 173.24 175.49 3hei n ASP 100 N 0.06 0.58 -4.15 7.02 8.00 -1.26 -1.91 116.55 124.89 3hei n ASP 100 Ca -0.17 -0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.15 3hei n ASP 100 Cb 0.62 0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.78 3hei n ASP 100 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3hei s LEU 101 N -3.70 2.26 -0.10 0.64 2.34 -1.26 -4.75 118.68 114.12 3hei s LEU 101 Ca 0.08 -0.59 -0.30 0.00 0.06 0.00 0.00 54.13 53.39 3hei s LEU 101 Cb 0.15 -0.45 -0.02 0.00 -0.56 0.00 0.00 46.19 45.31 3hei s LEU 101 CO 0.70 -0.09 1.22 -0.62 -1.06 0.00 0.00 176.35 176.50 3hei s ASP 102 N -1.66 7.01 0.00 1.48 2.15 -1.26 -4.89 116.67 119.51 3hei s ASP 102 Ca -0.03 1.76 0.30 0.00 0.43 0.00 0.00 52.55 55.00 3hei s ASP 102 Cb -0.10 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.41 3hei s ASP 102 CO 0.02 -0.65 1.99 -1.22 -0.17 0.00 0.00 175.17 175.14 3hei n TYR 103 N 5.73 0.00 0.00 -5.34 4.01 -1.26 -5.01 117.16 115.29 3hei n TYR 103 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3hei n TYR 103 Cb 0.46 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3hei n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hei n GLY 104 N 1.26 3.90 0.19 2.72 0.00 -1.26 -1.74 105.19 110.26 3hei n GLY 104 Ca 0.15 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3hei n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hei n THR 105 N 0.00 0.00 -2.69 2.61 -2.24 -1.26 -4.49 114.28 106.21 3hei n THR 105 Ca 0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3hei n THR 105 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3hei n THR 105 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hei n ASN 106 N -0.63 5.02 -4.65 3.42 4.05 -0.71 -4.96 115.26 116.79 3hei n ASN 106 Ca 0.19 -2.96 -0.42 0.00 0.45 0.00 0.00 54.58 51.84 3hei n ASN 106 Cb 0.25 -1.64 -0.03 0.00 1.23 0.00 0.00 39.78 39.58 3hei n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3hei s PHE 107 N 2.65 3.35 -0.28 1.20 5.36 -1.26 -4.85 117.98 124.14 3hei s PHE 107 Ca 0.47 1.27 0.01 0.00 -0.96 0.00 0.00 56.93 57.73 3hei s PHE 107 Cb 0.02 -3.11 0.08 0.00 -0.34 0.00 0.00 43.02 39.66 3hei s PHE 107 CO 0.03 -0.39 0.01 -0.65 -1.46 0.00 0.00 175.22 172.76 3hei s GLN 108 N 2.80 1.35 0.46 10.12 -1.52 -1.26 -5.00 119.66 126.61 3hei s GLN 108 Ca 0.39 -1.21 0.12 0.00 -1.95 0.00 0.00 55.36 52.71 3hei s GLN 108 Cb -0.16 -2.58 1.06 0.00 -0.22 0.00 0.00 33.01 31.12 3hei s GLN 108 CO 0.08 -0.77 2.09 0.87 -0.25 0.00 0.00 175.29 177.31 3hei h LYS 109 N 7.91 0.29 0.00 2.91 1.57 -1.98 -2.06 116.57 125.21 3hei h LYS 109 Ca -0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3hei h LYS 109 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3hei h LYS 109 CO 0.45 0.19 -0.03 0.00 -0.57 0.00 0.00 179.45 179.49 3hei h ARG 110 N 0.29 0.00 -0.01 3.15 3.08 -2.03 -1.49 114.38 117.37 3hei h ARG 110 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hei h ARG 110 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hei h ARG 110 CO -0.02 0.03 -0.01 1.28 -1.07 0.00 0.00 179.97 180.18 3hei n LEU 111 N -3.39 0.61 -4.87 3.04 4.77 -0.77 -4.88 117.00 111.51 3hei n LEU 111 Ca -0.02 -0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 3hei n LEU 111 Cb 0.15 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3hei n LEU 111 CO 0.25 0.10 0.13 -0.36 -1.33 0.00 0.00 177.39 176.19 3hei s PHE 112 N -2.05 3.53 -0.05 -1.77 0.40 -0.56 -4.69 117.98 112.78 3hei s PHE 112 Ca 0.42 0.82 0.05 0.00 -0.60 0.00 0.00 56.93 57.62 3hei s PHE 112 Cb 0.21 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3hei s PHE 112 CO 0.37 0.42 -0.19 0.99 0.70 0.00 0.00 175.22 177.51 3hei s THR 113 N -1.57 2.63 0.02 0.64 2.01 -0.04 -4.93 115.64 114.40 3hei s THR 113 Ca 0.39 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 3hei s THR 113 Cb -0.13 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3hei s THR 113 CO 0.20 0.58 1.00 -0.75 -0.69 0.00 0.00 174.62 174.96 3hei s LYS 114 N -0.52 4.56 -0.16 4.92 2.20 -1.26 -1.23 119.74 128.26 3hei s LYS 114 Ca 0.07 1.46 -0.23 0.00 -0.36 0.00 0.00 55.97 56.90 3hei s LYS 114 Cb -0.11 -3.44 -0.23 0.00 -1.51 0.00 0.00 37.83 32.53 3hei s LYS 114 CO 0.01 -0.04 0.50 0.82 -0.36 0.00 0.00 175.35 176.28 3hei h ILE 115 N 4.68 1.29 -2.03 5.43 1.08 -0.80 -3.48 117.51 123.69 3hei h ILE 115 Ca -0.41 -2.29 0.17 0.00 -0.39 0.00 0.00 64.86 61.93 3hei h ILE 115 Cb 1.22 2.78 -0.15 0.00 -3.07 0.00 0.00 36.82 37.60 3hei h ILE 115 CO 0.75 0.50 0.59 -0.62 -0.69 0.00 0.00 178.15 178.69 3hei s ASP 116 N -6.64 -0.27 -0.24 1.72 3.68 -1.05 -5.00 116.67 108.86 3hei s ASP 116 Ca -0.23 -0.05 -0.19 0.00 2.13 0.00 0.00 52.55 54.21 3hei s ASP 116 Cb 0.02 0.32 -0.03 0.00 -1.45 0.00 0.00 42.92 41.78 3hei s ASP 116 CO 0.67 -0.53 0.55 -0.89 0.13 0.00 0.00 175.17 175.10 3hei s THR 117 N -2.92 5.05 -0.16 1.71 2.01 -1.26 -0.96 115.64 119.11 3hei s THR 117 Ca 0.07 0.98 -0.15 0.00 0.31 0.00 0.00 61.69 62.91 3hei s THR 117 Cb -0.01 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3hei s THR 117 CO -0.06 0.09 0.33 -0.63 -0.69 0.00 0.00 174.62 173.65 3hei s ILE 118 N 2.21 5.28 0.13 1.82 -1.09 0.10 -4.95 121.20 124.70 3hei s ILE 118 Ca 0.23 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.35 3hei s ILE 118 Cb -0.16 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3hei s ILE 118 CO 0.09 0.37 -0.19 0.00 -1.23 0.00 0.00 174.94 173.98 3hei s ALA 119 N 0.56 1.81 0.05 9.38 0.00 -1.26 -2.17 121.76 130.14 3hei s ALA 119 Ca 0.18 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 3hei s ALA 119 Cb -0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3hei s ALA 119 CO 0.05 0.27 0.94 -1.25 0.00 0.00 0.00 175.76 175.77 3hei s PRO 120 N -2.32 4.61 0.22 0.00 0.04 -1.26 -4.95 135.00 131.34 3hei s PRO 120 Ca 0.10 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.52 3hei s PRO 120 Cb -0.08 -3.41 0.20 0.00 0.04 0.00 0.00 34.50 31.25 3hei s PRO 120 CO 0.05 0.11 1.54 -0.44 0.04 0.00 0.00 177.00 178.30 3hei h ASP 121 N 6.10 0.42 -3.72 6.66 3.45 -1.98 -3.41 116.42 123.94 3hei h ASP 121 Ca -0.42 -0.23 -0.64 0.00 0.43 0.00 0.00 57.03 56.16 3hei h ASP 121 Cb 1.21 -0.12 -0.38 0.00 -0.56 0.00 0.00 39.33 39.48 3hei h ASP 121 CO 0.73 0.91 -0.78 -1.61 -1.57 0.00 0.00 179.24 176.92 3hei s GLU 122 N -3.87 1.81 0.27 3.56 0.41 -1.26 -5.13 118.70 114.48 3hei s GLU 122 Ca -0.05 -1.28 -0.15 0.00 -0.41 0.00 0.00 54.97 53.07 3hei s GLU 122 Cb 0.12 -2.78 -0.08 0.00 -1.78 0.00 0.00 34.13 29.60 3hei s GLU 122 CO 0.82 -0.66 0.68 -1.50 -0.49 0.00 0.00 175.26 174.11 3hei s ILE 123 N 1.21 4.72 -0.13 -1.63 2.07 -1.26 -4.71 121.20 121.46 3hei s ILE 123 Ca -0.04 0.93 -0.21 0.00 -1.41 0.00 0.00 60.65 59.92 3hei s ILE 123 Cb -0.19 -3.68 -0.03 0.00 0.13 0.00 0.00 42.46 38.69 3hei s ILE 123 CO -0.07 -0.03 0.63 -0.89 -1.91 0.00 0.00 174.94 172.67 3hei s THR 124 N -1.80 5.06 0.39 4.00 2.01 0.56 -4.86 115.64 121.01 3hei s THR 124 Ca 0.49 1.25 0.08 0.00 0.31 0.00 0.00 61.69 63.82 3hei s THR 124 Cb -0.12 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3hei s THR 124 CO 0.19 0.21 0.14 0.68 -0.69 0.00 0.00 174.62 175.14 3hei s VAL 125 N 1.21 2.44 0.39 3.82 -7.23 -1.26 0.21 120.40 119.97 3hei s VAL 125 Ca 0.32 -1.76 0.09 0.00 -1.81 0.00 0.00 61.98 58.82 3hei s VAL 125 Cb -0.16 -2.96 0.31 0.00 0.56 0.00 0.00 36.38 34.13 3hei s VAL 125 CO 0.13 -0.06 1.96 0.28 -0.31 0.00 0.00 175.10 177.11 3hei h SER 126 N 1.53 0.54 0.94 4.85 0.02 -1.94 0.50 113.55 119.99 3hei h SER 126 Ca -0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3hei h SER 126 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3hei h SER 126 CO 0.69 0.33 0.00 -1.54 -1.14 0.00 0.00 176.83 175.18 3hei n SER 127 N -4.48 0.63 0.18 3.07 3.41 -1.26 -2.25 113.62 112.92 3hei n SER 127 Ca 0.11 0.62 0.02 0.00 -0.26 0.00 0.00 58.87 59.36 3hei n SER 127 Cb 0.30 -0.77 0.33 0.00 -0.26 0.00 0.00 64.21 63.82 3hei n SER 127 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hei h ASP 128 N 0.00 0.00 -0.11 4.04 3.45 -1.23 -2.49 116.42 120.07 3hei h ASP 128 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hei h ASP 128 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3hei h ASP 128 CO 0.00 0.41 0.07 -0.26 -1.57 0.00 0.00 179.24 177.89 3hei h PHE 129 N 0.00 0.13 -0.38 4.55 0.04 -1.54 0.12 116.94 119.86 3hei h PHE 129 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3hei h PHE 129 Cb 0.73 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 3hei h PHE 129 CO 0.00 0.08 -0.14 1.49 -0.60 0.00 0.00 178.31 179.14 3hei h GLU 130 N 0.14 0.68 -0.00 1.51 4.57 -1.66 -2.35 114.58 117.47 3hei h GLU 130 Ca 0.04 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3hei h GLU 130 Cb -0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3hei h GLU 130 CO -0.02 0.79 -0.07 0.00 -1.18 0.00 0.00 179.01 178.54 3hei n ALA 131 N -2.49 2.66 -4.13 2.92 0.00 -0.95 -4.90 120.51 113.63 3hei n ALA 131 Ca 0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 3hei n ALA 131 Cb 0.37 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 3hei n ALA 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hei n ARG 132 N -1.09 -2.52 -3.62 0.00 1.74 0.27 -4.92 116.66 106.51 3hei n ARG 132 Ca 0.15 0.30 -0.38 0.00 -0.77 0.00 0.00 57.85 57.15 3hei n ARG 132 Cb 0.26 -4.39 -0.11 0.00 -1.02 0.00 0.00 32.46 27.20 3hei n ARG 132 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hei s HIS 133 N -3.92 3.22 -0.40 -1.55 2.46 -0.22 -5.04 115.29 109.84 3hei s HIS 133 Ca 0.18 0.08 -0.17 0.00 0.47 0.00 0.00 55.06 55.62 3hei s HIS 133 Cb -0.10 -2.35 0.01 0.00 -0.13 0.00 0.00 32.58 30.01 3hei s HIS 133 CO 0.93 -0.15 0.44 0.08 -2.47 0.00 0.00 174.74 173.57 3hei s VAL 134 N 1.65 5.08 -0.62 0.89 1.01 -1.26 -4.78 120.40 122.37 3hei s VAL 134 Ca 0.07 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 3hei s VAL 134 Cb -0.16 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.36 3hei s VAL 134 CO 0.09 -0.35 0.64 -0.54 0.00 0.00 0.00 175.10 174.94 3hei s LYS 135 N 2.17 3.14 -0.47 2.72 1.02 -1.26 -5.01 119.74 122.05 3hei s LYS 135 Ca 0.13 -1.71 -0.19 0.00 0.02 0.00 0.00 55.97 54.22 3hei s LYS 135 Cb -0.17 -4.34 0.05 0.00 -0.52 0.00 0.00 37.83 32.85 3hei s LYS 135 CO 0.13 -1.41 0.56 -1.17 -0.92 0.00 0.00 175.35 172.54 3hei s LEU 136 N 1.76 4.94 0.48 3.17 2.96 -1.26 -4.49 118.68 126.24 3hei s LEU 136 Ca 0.10 -0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 52.98 3hei s LEU 136 Cb -0.24 -2.44 -0.08 0.00 0.50 0.00 0.00 46.19 43.93 3hei s LEU 136 CO 0.01 -0.77 1.09 0.20 -1.32 0.00 0.00 176.35 175.56 3hei s ASN 137 N 2.36 6.19 -0.08 3.68 0.01 0.22 -4.83 114.94 122.49 3hei s ASN 137 Ca 0.14 2.09 0.02 0.00 -0.71 0.00 0.00 52.86 54.40 3hei s ASN 137 Cb -0.18 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.91 3hei s ASN 137 CO 0.13 -0.89 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.00 3hei s VAL 138 N -1.79 1.31 0.00 1.60 1.01 -1.26 -1.37 120.40 119.90 3hei s VAL 138 Ca 0.67 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3hei s VAL 138 Cb -0.22 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3hei s VAL 138 CO 0.26 0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 174.07 3hei s GLU 139 N 0.82 0.63 -0.01 2.72 0.41 -0.41 -4.99 118.70 117.87 3hei s GLU 139 Ca -0.11 -0.34 0.03 0.00 -0.41 0.00 0.00 54.97 54.15 3hei s GLU 139 Cb -0.15 -0.59 -0.01 0.00 -1.78 0.00 0.00 34.13 31.60 3hei s GLU 139 CO 0.02 0.16 -0.11 -2.00 -0.49 0.00 0.00 175.26 172.84 3hei s GLU 140 N -0.34 0.92 0.15 1.61 2.12 -1.26 -0.80 118.70 121.11 3hei s GLU 140 Ca 0.02 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.01 3hei s GLU 140 Cb -0.04 -0.88 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 3hei s GLU 140 CO -0.00 0.21 -0.09 1.03 -0.54 0.00 0.00 175.26 175.87 3hei s ARG 141 N -0.17 1.07 0.09 4.30 1.81 -0.27 -4.95 118.95 120.83 3hei s ARG 141 Ca 0.03 -1.47 0.04 0.00 -1.72 0.00 0.00 55.73 52.61 3hei s ARG 141 Cb -0.05 -0.61 -0.03 0.00 -0.45 0.00 0.00 34.95 33.81 3hei s ARG 141 CO -0.00 0.06 -0.10 -1.54 -0.68 0.00 0.00 175.30 173.03 3hei s SER 142 N -3.17 1.43 -0.04 0.23 1.04 -1.26 -0.13 113.70 111.80 3hei s SER 142 Ca 0.18 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 3hei s SER 142 Cb 0.03 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.16 3hei s SER 142 CO 0.01 -0.25 0.12 -0.69 0.98 0.00 0.00 173.24 173.41 3hei s VAL 143 N -2.29 0.02 0.00 5.02 1.01 -0.58 -4.98 120.40 118.59 3hei s VAL 143 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3hei s VAL 143 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3hei s VAL 143 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3hei n GLY 144 N 2.75 0.67 3.74 4.51 0.00 -1.26 -1.37 105.19 114.23 3hei n GLY 144 Ca -0.14 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3hei n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hei s PRO 145 N -2.00 4.75 0.20 1.61 0.04 -1.26 -5.03 135.00 133.31 3hei s PRO 145 Ca 0.00 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3hei s PRO 145 Cb 0.00 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 3hei s PRO 145 CO 0.00 0.33 0.56 -0.51 0.04 0.00 0.00 177.00 177.42 3hei s LEU 146 N -0.65 4.24 0.00 -3.56 1.43 0.12 -5.00 118.68 115.26 3hei s LEU 146 Ca 0.45 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3hei s LEU 146 Cb -0.26 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3hei s LEU 146 CO 0.32 -0.00 0.00 0.35 0.23 0.00 0.00 176.35 177.25 3hei n THR 147 N 0.28 0.00 -2.77 5.49 -2.24 -1.26 -4.76 114.28 109.01 3hei n THR 147 Ca -0.02 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 3hei n THR 147 Cb 0.52 0.97 0.07 0.00 -2.10 0.00 0.00 70.33 69.80 3hei n THR 147 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hei s ARG 148 N -0.36 2.10 0.28 -0.78 1.81 -1.26 -5.01 118.95 115.73 3hei s ARG 148 Ca 0.00 -1.24 -0.00 0.00 -1.72 0.00 0.00 55.73 52.77 3hei s ARG 148 Cb 0.00 -2.49 0.49 0.00 -0.45 0.00 0.00 34.95 32.50 3hei s ARG 148 CO 0.00 -1.05 1.88 -0.22 -0.68 0.00 0.00 175.30 175.23 3hei h LYS 149 N -0.12 1.05 0.00 3.54 3.64 -1.85 -3.43 116.57 119.39 3hei h LYS 149 Ca -0.35 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 3hei h LYS 149 Cb 1.28 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3hei h LYS 149 CO 0.43 0.69 0.11 0.41 -2.27 0.00 0.00 179.45 178.82 3hei n GLY 150 N -1.37 1.61 3.47 5.01 0.00 -0.80 -1.03 105.19 112.08 3hei n GLY 150 Ca 0.16 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 3hei n GLY 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hei s PHE 151 N -4.22 -0.23 0.25 1.61 -0.12 -0.27 -1.58 117.98 113.43 3hei s PHE 151 Ca 0.13 -0.09 0.11 0.00 -0.05 0.00 0.00 56.93 57.04 3hei s PHE 151 Cb -0.03 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 3hei s PHE 151 CO 0.10 -0.87 -0.20 0.71 -0.05 0.00 0.00 175.22 174.90 3hei s TYR 152 N -3.83 2.23 0.21 3.49 1.51 0.15 -0.61 117.35 120.49 3hei s TYR 152 Ca 0.06 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3hei s TYR 152 Cb -0.01 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3hei s TYR 152 CO -0.06 0.63 0.09 -0.51 -1.11 0.00 0.00 175.55 174.59 3hei s LEU 153 N -3.27 3.58 0.00 -1.29 1.02 -1.26 -1.46 118.68 116.00 3hei s LEU 153 Ca 0.27 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 3hei s LEU 153 Cb -0.05 -2.17 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 3hei s LEU 153 CO 0.13 0.03 0.07 0.00 0.02 0.00 0.00 176.35 176.60 3hei s ALA 154 N -1.94 -0.15 -0.14 4.21 0.00 -0.13 -1.02 121.76 122.58 3hei s ALA 154 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3hei s ALA 154 Cb -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3hei s ALA 154 CO 0.22 -0.17 -0.09 -0.06 0.00 0.00 0.00 175.76 175.66 3hei s PHE 155 N -1.20 2.90 -0.16 0.00 0.40 0.12 -0.74 117.98 119.29 3hei s PHE 155 Ca -0.13 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 3hei s PHE 155 Cb -0.07 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3hei s PHE 155 CO 0.00 -0.15 -0.09 -1.14 0.70 0.00 0.00 175.22 174.54 3hei s GLN 156 N 0.36 3.41 -0.13 0.44 0.74 -0.25 -0.83 119.66 123.40 3hei s GLN 156 Ca -0.08 -0.65 -0.07 0.00 0.05 0.00 0.00 55.36 54.61 3hei s GLN 156 Cb -0.15 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 3hei s GLN 156 CO 0.05 0.07 0.10 0.34 -0.55 0.00 0.00 175.29 175.30 3hei s ASP 157 N 0.75 6.03 -0.17 6.67 -1.08 0.76 -1.65 116.67 127.98 3hei s ASP 157 Ca -0.04 0.32 0.14 0.00 -0.52 0.00 0.00 52.55 52.44 3hei s ASP 157 Cb -0.15 -1.95 0.39 0.00 -1.46 0.00 0.00 42.92 39.76 3hei s ASP 157 CO 0.02 0.33 1.20 2.30 0.52 0.00 0.00 175.17 179.54 3hei n ILE 158 N 2.47 1.86 0.00 4.11 -5.35 -1.26 -0.84 119.36 120.35 3hei n ILE 158 Ca -0.19 -2.78 0.00 0.00 -0.27 0.00 0.00 62.75 59.51 3hei n ILE 158 Cb 0.54 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3hei n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hei n GLY 159 N -0.95 1.95 4.02 3.28 0.00 -1.26 -4.67 105.19 107.57 3hei n GLY 159 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3hei n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hei s ALA 160 N -2.00 4.41 -0.36 4.61 0.00 -1.26 -0.74 121.76 126.42 3hei s ALA 160 Ca 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 51.96 49.99 3hei s ALA 160 Cb 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 23.12 21.60 3hei s ALA 160 CO 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 175.76 174.87 3hei s VAL 162 N 0.97 0.33 -0.17 0.00 1.01 -0.15 -1.18 120.40 121.21 3hei s VAL 162 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3hei s VAL 162 Cb -0.20 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.87 3hei s VAL 162 CO -0.12 0.12 -0.16 0.00 0.00 0.00 0.00 175.10 174.93 3hei s ALA 163 N 0.19 2.45 -0.38 5.51 0.00 -0.95 -1.50 121.76 127.09 3hei s ALA 163 Ca -0.02 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 3hei s ALA 163 Cb -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.84 3hei s ALA 163 CO -0.00 -0.22 0.23 -1.17 0.00 0.00 0.00 175.76 174.59 3hei s LEU 164 N 1.11 4.77 0.02 0.00 2.96 0.13 -1.39 118.68 126.28 3hei s LEU 164 Ca 0.00 -0.92 0.22 0.00 -0.22 0.00 0.00 54.13 53.22 3hei s LEU 164 Cb -0.14 -2.06 -0.26 0.00 0.50 0.00 0.00 46.19 44.23 3hei s LEU 164 CO -0.06 -0.38 0.61 0.18 -1.32 0.00 0.00 176.35 175.38 3hei n LEU 165 N 5.04 0.20 -3.69 -0.68 4.77 -0.15 -1.84 117.00 120.66 3hei n LEU 165 Ca -0.12 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 3hei n LEU 165 Cb 0.47 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3hei n LEU 165 CO 0.37 -0.04 0.19 -0.55 -1.33 0.00 0.00 177.39 176.03 3hei s SER 166 N -4.73 -0.57 -0.20 -1.43 0.15 -1.09 -4.40 113.70 101.43 3hei s SER 166 Ca -0.06 1.06 -0.04 0.00 0.70 0.00 0.00 55.95 57.61 3hei s SER 166 Cb 0.13 1.04 0.09 0.00 -1.71 0.00 0.00 66.02 65.56 3hei s SER 166 CO 0.88 -0.19 0.18 -0.69 1.20 0.00 0.00 173.24 174.63 3hei s VAL 167 N 0.57 -0.24 -0.17 4.45 1.01 -1.26 -1.31 120.40 123.45 3hei s VAL 167 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3hei s VAL 167 Cb -0.04 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3hei s VAL 167 CO -0.03 -0.28 -0.18 -0.60 0.00 0.00 0.00 175.10 174.01 3hei s ARG 168 N 2.26 2.74 -0.13 2.72 3.52 -0.51 -1.03 118.95 128.53 3hei s ARG 168 Ca 0.06 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3hei s ARG 168 Cb -0.16 -2.39 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3hei s ARG 168 CO -0.14 -0.21 -0.09 0.08 -0.81 0.00 0.00 175.30 174.13 3hei s VAL 169 N 1.33 3.40 0.14 7.11 1.01 -0.14 -0.38 120.40 132.87 3hei s VAL 169 Ca 0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3hei s VAL 169 Cb -0.13 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3hei s VAL 169 CO -0.11 0.52 0.29 -0.72 0.00 0.00 0.00 175.10 175.08 3hei s TYR 170 N 0.18 0.22 0.34 5.22 -0.85 0.05 0.06 117.35 122.57 3hei s TYR 170 Ca -0.05 -0.60 0.10 0.00 -0.52 0.00 0.00 57.07 55.99 3hei s TYR 170 Cb -0.15 0.01 -0.06 0.00 0.38 0.00 0.00 41.96 42.15 3hei s TYR 170 CO 0.04 -0.69 -0.08 1.52 -1.52 0.00 0.00 175.55 174.83 3hei s TYR 171 N -3.91 2.43 -0.13 -3.49 -0.85 -0.38 0.03 117.35 111.05 3hei s TYR 171 Ca 0.12 -0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.13 3hei s TYR 171 Cb 0.03 -1.37 -0.04 0.00 0.38 0.00 0.00 41.96 40.96 3hei s TYR 171 CO -0.05 0.57 0.13 0.15 -1.52 0.00 0.00 175.55 174.84 3hei s LYS 172 N -3.63 3.48 0.18 -3.49 1.02 -1.26 -0.70 119.74 115.34 3hei s LYS 172 Ca 0.33 -0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.10 3hei s LYS 172 Cb 0.01 -3.19 0.07 0.00 -0.52 0.00 0.00 37.83 34.20 3hei s LYS 172 CO 0.17 0.73 1.52 0.87 -0.92 0.00 0.00 175.35 177.72 3hei h LYS 173 N 5.14 0.76 -0.03 1.68 1.79 -1.98 -3.48 116.57 120.45 3hei h LYS 173 Ca -0.54 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 57.53 3hei h LYS 173 Cb 1.22 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hei h LYS 173 CO 0.59 1.03 0.00 0.00 -1.08 0.00 0.00 179.45 180.00