#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 5.02 -0.09 2.62 1.01 0.17 -4.94 120.40 124.19 3hei s VAL 2 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 3hei s VAL 2 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3hei s VAL 2 CO 0.00 0.03 0.80 -0.69 0.00 0.00 0.00 175.10 175.25 3hei s VAL 3 N 1.68 4.95 -0.02 2.92 1.01 -1.26 -0.85 120.40 128.83 3hei s VAL 3 Ca 0.06 1.64 0.16 0.00 0.00 0.00 0.00 61.98 63.83 3hei s VAL 3 Cb -0.17 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 3hei s VAL 3 CO 0.09 0.15 0.35 0.18 0.00 0.00 0.00 175.10 175.87 3hei n LEU 4 N 4.35 0.00 -3.67 3.92 4.77 0.11 -4.97 117.00 121.51 3hei n LEU 4 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3hei n LEU 4 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3hei n LEU 4 CO 0.48 0.00 0.22 -0.22 -1.33 0.00 0.00 177.39 176.55 3hei s LEU 5 N -4.12 -0.43 -0.28 2.23 2.96 -1.11 -4.97 118.68 112.96 3hei s LEU 5 Ca -0.06 1.20 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3hei s LEU 5 Cb 0.10 1.91 0.13 0.00 0.50 0.00 0.00 46.19 48.83 3hei s LEU 5 CO 0.67 -0.21 0.28 -0.62 -1.32 0.00 0.00 176.35 175.15 3hei s ASP 6 N 1.15 1.74 0.07 3.68 3.68 -1.25 -1.10 116.67 124.63 3hei s ASP 6 Ca -0.07 -0.72 -0.19 0.00 2.13 0.00 0.00 52.55 53.70 3hei s ASP 6 Cb -0.06 0.46 -0.11 0.00 -1.45 0.00 0.00 42.92 41.76 3hei s ASP 6 CO -0.11 -0.39 1.45 0.15 0.13 0.00 0.00 175.17 176.41 3hei h PHE 7 N 8.27 0.45 0.00 -5.34 3.57 -1.69 -3.14 116.94 119.07 3hei h PHE 7 Ca -0.14 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3hei h PHE 7 Cb 1.08 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3hei h PHE 7 CO 0.26 0.65 -0.04 0.00 -2.23 0.00 0.00 178.31 176.95 3hei h ALA 8 N 0.73 1.53 -0.00 2.41 0.00 -1.82 -1.24 119.26 120.87 3hei h ALA 8 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hei h ALA 8 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hei h ALA 8 CO 0.02 0.05 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 3hei n ALA 9 N -2.35 3.04 1.25 0.00 0.00 -1.19 -4.15 120.51 117.11 3hei n ALA 9 Ca -0.03 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.27 3hei n ALA 9 Cb 0.13 -1.25 0.45 0.00 0.00 0.00 0.00 19.45 18.78 3hei n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hei n ALA 10 N -1.28 3.00 -2.36 0.00 0.00 -0.47 -4.95 120.51 114.45 3hei n ALA 10 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3hei n ALA 10 Cb 0.33 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.35 -0.05 2.38 0.00 0.00 -1.26 -2.45 105.19 105.17 3hei n GLY 11 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.06 0.69 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.61 3hei n GLY 12 Ca -0.11 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.88 0.01 -2.86 1.61 1.02 -1.03 -4.64 120.64 112.87 3hei n GLU 13 Ca -0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.66 3hei n GLU 13 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 3hei n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hei s LEU 14 N -3.04 4.76 -0.43 -4.62 1.43 -1.26 -4.96 118.68 110.56 3hei s LEU 14 Ca 0.10 -2.51 -0.18 0.00 -1.03 0.00 0.00 54.13 50.50 3hei s LEU 14 Cb 0.17 -2.44 -0.19 0.00 0.03 0.00 0.00 46.19 43.76 3hei s LEU 14 CO 0.76 -0.96 1.51 0.61 0.23 0.00 0.00 176.35 178.51 3hei n GLY 15 N 4.92 -0.06 3.75 -3.19 0.00 -1.26 -4.91 105.19 104.43 3hei n GLY 15 Ca 0.34 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3hei n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hei s TRP 16 N 9.04 2.26 0.34 1.61 0.51 -1.26 -4.94 118.94 126.50 3hei s TRP 16 Ca 0.49 1.41 -0.27 0.00 -2.12 0.00 0.00 56.10 55.62 3hei s TRP 16 Cb 0.02 -3.75 -0.09 0.00 -0.81 0.00 0.00 33.47 28.84 3hei s TRP 16 CO 0.16 -2.82 1.05 -1.17 -0.51 0.00 0.00 176.95 173.66 3hei s LEU 17 N -3.73 4.35 0.02 2.99 0.20 -1.06 -4.86 118.68 116.60 3hei s LEU 17 Ca 0.74 2.11 0.06 0.00 0.69 0.00 0.00 54.13 57.73 3hei s LEU 17 Cb -0.39 -3.92 -0.02 0.00 -0.43 0.00 0.00 46.19 41.43 3hei s LEU 17 CO 0.45 -0.28 -0.18 0.42 -0.29 0.00 0.00 176.35 176.46 3hei s THR 18 N -1.43 1.44 0.01 3.68 -4.23 -1.26 -1.01 115.64 112.83 3hei s THR 18 Ca 0.51 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 3hei s THR 18 Cb -0.26 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.34 3hei s THR 18 CO 0.33 0.23 -0.03 -2.28 -0.54 0.00 0.00 174.62 172.33 3hei s HIS 19 N -0.66 0.28 0.69 3.99 5.04 -0.50 -4.05 115.29 120.08 3hei s HIS 19 Ca 0.06 -0.19 -0.16 0.00 -1.54 0.00 0.00 55.06 53.23 3hei s HIS 19 Cb -0.08 -0.18 0.02 0.00 0.04 0.00 0.00 32.58 32.38 3hei s HIS 19 CO 0.01 -0.05 1.20 -1.25 -2.34 0.00 0.00 174.74 172.31 3hei s PRO 20 N -0.51 2.41 -0.38 2.88 0.04 -1.26 -0.83 135.00 137.36 3hei s PRO 20 Ca -0.04 1.73 -0.38 0.00 0.04 0.00 0.00 61.00 62.35 3hei s PRO 20 Cb -0.04 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 3hei s PRO 20 CO -0.00 -1.62 1.28 0.98 0.04 0.00 0.00 177.00 177.68 3hei n TYR 21 N -2.42 1.37 -2.66 0.56 9.36 -1.26 -1.70 117.16 120.42 3hei n TYR 21 Ca 0.13 0.94 -0.12 0.00 3.32 0.00 0.00 57.90 62.17 3hei n TYR 21 Cb 0.50 -1.82 -0.01 0.00 -0.63 0.00 0.00 39.34 37.38 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 3.13 -0.50 3.58 2.98 0.00 -1.26 -4.98 105.19 108.13 3hei n GLY 22 Ca 0.25 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.24 1.96 4.66 1.61 1.02 -0.69 -5.09 119.74 117.97 3hei s LYS 23 Ca 0.09 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.31 3hei s LYS 23 Cb -0.05 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 3hei s LYS 23 CO 0.11 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 3hei n GLY 24 N -0.84 0.94 3.76 -3.33 0.00 -1.26 -4.55 105.19 99.90 3hei n GLY 24 Ca -0.05 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 2.77 0.01 1.61 0.52 -1.26 -4.72 118.94 117.88 3hei s TRP 25 Ca 0.00 1.05 0.04 0.00 0.02 0.00 0.00 56.10 57.22 3hei s TRP 25 Cb 0.00 -3.96 -0.01 0.00 -1.15 0.00 0.00 33.47 28.35 3hei s TRP 25 CO 0.00 -2.98 -0.13 -0.51 0.02 0.00 0.00 176.95 173.35 3hei s ASP 26 N 0.10 1.53 -0.10 2.95 1.01 0.29 -4.91 116.67 117.54 3hei s ASP 26 Ca 0.57 -0.33 -0.26 0.00 0.71 0.00 0.00 52.55 53.24 3hei s ASP 26 Cb -0.45 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.32 3hei s ASP 26 CO 0.54 0.10 0.86 -0.22 0.21 0.00 0.00 175.17 176.65 3hei s LEU 27 N -0.67 4.26 0.21 1.23 2.96 -1.26 -0.52 118.68 124.90 3hei s LEU 27 Ca 0.03 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.36 3hei s LEU 27 Cb -0.06 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 3hei s LEU 27 CO 0.00 -0.31 -0.13 -0.04 -1.32 0.00 0.00 176.35 174.56 3hei s MET 28 N 1.54 1.36 -0.04 1.98 -1.94 0.94 -4.95 119.30 118.19 3hei s MET 28 Ca 0.43 -1.61 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 3hei s MET 28 Cb -0.18 -1.12 -0.01 0.00 2.01 0.00 0.00 34.83 35.53 3hei s MET 28 CO 0.18 0.16 -0.21 -0.65 -0.01 0.00 0.00 175.02 174.49 3hei s GLN 29 N -3.66 2.02 0.18 2.03 -0.21 -1.26 -0.81 119.66 117.95 3hei s GLN 29 Ca 0.23 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.77 3hei s GLN 29 Cb -0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 3hei s GLN 29 CO 0.07 0.35 0.31 -0.80 -2.12 0.00 0.00 175.29 173.11 3hei s ASN 30 N -0.18 0.01 -0.25 5.90 0.01 -0.09 -5.01 114.94 115.34 3hei s ASN 30 Ca -0.00 -0.90 -0.10 0.00 -0.71 0.00 0.00 52.86 51.15 3hei s ASN 30 Cb -0.11 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 3hei s ASN 30 CO 0.02 -0.94 0.14 -0.63 -1.51 0.00 0.00 177.10 174.18 3hei s ILE 31 N -3.99 5.06 -0.06 0.60 -1.09 -1.26 0.28 121.20 120.74 3hei s ILE 31 Ca 0.19 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 3hei s ILE 31 Cb 0.03 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 3hei s ILE 31 CO 0.02 0.32 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.59 3hei s MET 32 N 1.34 1.83 -1.45 2.79 1.75 -0.23 -4.79 119.30 120.54 3hei s MET 32 Ca 0.07 -0.53 -0.10 0.00 -1.25 0.00 0.00 55.69 53.87 3hei s MET 32 Cb -0.15 -1.53 0.05 0.00 2.84 0.00 0.00 34.83 36.05 3hei s MET 32 CO 0.06 0.13 0.98 0.09 -0.65 0.00 0.00 175.02 175.63 3hei n ASN 33 N 3.50 -4.41 -1.12 1.11 3.02 -1.26 -1.35 115.26 114.75 3hei n ASN 33 Ca -0.20 -0.73 -0.14 0.00 -0.03 0.00 0.00 54.58 53.48 3hei n ASN 33 Cb 0.52 -4.18 -0.06 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.92 -5.06 -4.36 6.41 8.00 -1.26 -4.98 116.55 112.39 3hei n ASP 34 Ca -0.03 0.34 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 3hei n ASP 34 Cb 0.56 -4.07 -0.15 0.00 -0.02 0.00 0.00 41.12 37.44 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 -3.09 1.98 0.01 -1.24 -1.94 -0.46 -5.12 119.30 109.45 3hei s MET 35 Ca 0.00 -1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 52.67 3hei s MET 35 Cb 0.00 -2.05 -0.05 0.00 2.01 0.00 0.00 34.83 34.73 3hei s MET 35 CO 0.00 0.54 1.32 -1.25 -0.01 0.00 0.00 175.02 175.62 3hei s PRO 36 N -1.04 4.33 0.16 2.03 0.04 -1.26 -1.07 135.00 138.18 3hei s PRO 36 Ca 0.12 1.88 0.05 0.00 0.04 0.00 0.00 61.00 63.09 3hei s PRO 36 Cb -0.10 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 3hei s PRO 36 CO 0.01 -0.48 -0.10 0.96 0.04 0.00 0.00 177.00 177.43 3hei s ILE 37 N 1.97 1.23 0.28 0.56 -4.36 0.14 -4.93 121.20 116.09 3hei s ILE 37 Ca 0.61 -2.08 0.10 0.00 -0.26 0.00 0.00 60.65 59.02 3hei s ILE 37 Cb -0.30 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 3hei s ILE 37 CO 0.26 -0.72 -0.01 -0.31 0.24 0.00 0.00 174.94 174.41 3hei s TYR 38 N -3.29 2.64 -0.01 1.37 1.51 -1.26 -0.91 117.35 117.39 3hei s TYR 38 Ca 0.18 -0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 3hei s TYR 38 Cb 0.02 -1.24 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 3hei s TYR 38 CO 0.01 0.59 0.51 0.00 -1.11 0.00 0.00 175.55 175.56 3hei s MET 39 N -3.68 0.92 -0.05 -0.62 0.23 0.01 -4.77 119.30 111.35 3hei s MET 39 Ca 0.32 -0.02 -0.17 0.00 -1.03 0.00 0.00 55.69 54.79 3hei s MET 39 Cb -0.05 0.42 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 3hei s MET 39 CO 0.20 -0.29 0.48 0.71 -2.03 0.00 0.00 175.02 174.08 3hei s TYR 40 N -1.55 3.63 0.04 3.16 1.51 -0.71 -0.04 117.35 123.39 3hei s TYR 40 Ca -0.10 1.00 0.01 0.00 -1.01 0.00 0.00 57.07 56.97 3hei s TYR 40 Cb -0.02 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.33 3hei s TYR 40 CO 0.05 0.38 -0.06 0.45 -1.11 0.00 0.00 175.55 175.27 3hei s SER 41 N -0.19 0.65 -0.10 2.29 0.15 0.32 -0.67 113.70 116.16 3hei s SER 41 Ca 0.26 -0.62 -0.18 0.00 0.70 0.00 0.00 55.95 56.11 3hei s SER 41 Cb -0.16 0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3hei s SER 41 CO 0.13 -0.30 0.44 0.54 1.20 0.00 0.00 173.24 175.25 3hei s VAL 42 N -1.88 0.02 -0.37 4.45 0.11 -0.75 -0.55 120.40 121.42 3hei s VAL 42 Ca -0.08 -0.17 0.11 0.00 -2.93 0.00 0.00 61.98 58.92 3hei s VAL 42 Cb -0.07 -0.69 0.41 0.00 -1.53 0.00 0.00 36.38 34.50 3hei s VAL 42 CO -0.02 -0.09 1.32 0.00 -3.33 0.00 0.00 175.10 172.98 3hei n ASN 44 N -0.66 5.00 -0.23 0.00 5.03 -1.25 -4.71 115.26 118.43 3hei n ASN 44 Ca -0.03 -3.07 0.11 0.00 0.87 0.00 0.00 54.58 52.46 3hei n ASN 44 Cb 0.85 -1.51 0.06 0.00 -1.02 0.00 0.00 39.78 38.16 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 3.67 0.00 -0.02 2.41 0.24 -1.26 -4.29 118.33 119.07 3hei n VAL 45 Ca 0.41 -0.12 -0.21 0.00 -2.04 0.00 0.00 64.34 62.38 3hei n VAL 45 Cb 0.37 0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 33.49 3hei n VAL 45 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3hei h MET 46 N 1.12 0.18 -5.73 7.34 2.86 -1.92 -3.25 114.93 115.52 3hei h MET 46 Ca 0.00 -0.30 -0.67 0.00 -2.06 0.00 0.00 59.70 56.67 3hei h MET 46 Cb 0.60 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.28 3hei h MET 46 CO 0.00 1.14 -0.51 -1.54 1.06 0.00 0.00 176.91 177.06 3hei s SER 47 N -6.95 6.14 0.90 1.22 1.04 -1.26 -4.61 113.70 110.17 3hei s SER 47 Ca -0.22 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3hei s SER 47 Cb 0.05 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.24 3hei s SER 47 CO 0.72 0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.94 3hei n GLY 48 N 1.88 -2.08 2.37 7.32 0.00 -1.26 -4.57 105.19 108.86 3hei n GLY 48 Ca -0.19 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.69 -5.08 -4.76 1.61 10.43 -1.26 -4.97 116.55 109.82 3hei n ASP 49 Ca 0.00 -0.04 -0.40 0.00 2.57 0.00 0.00 54.79 56.93 3hei n ASP 49 Cb 0.00 -4.15 -0.04 0.00 1.84 0.00 0.00 41.12 38.77 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 -4.92 4.54 -0.45 -1.24 -1.52 -1.26 -4.98 119.66 109.83 3hei s GLN 50 Ca 0.03 1.75 0.07 0.00 -1.95 0.00 0.00 55.36 55.25 3hei s GLN 50 Cb -0.01 -3.06 0.24 0.00 -0.22 0.00 0.00 33.01 29.96 3hei s GLN 50 CO 0.03 0.14 0.74 -3.47 -0.25 0.00 0.00 175.29 172.48 3hei n ASP 51 N 0.94 -1.73 -4.65 5.90 4.64 -1.21 -4.28 116.55 116.16 3hei n ASP 51 Ca 0.00 -3.05 -0.35 0.00 -1.38 0.00 0.00 54.79 50.01 3hei n ASP 51 Cb 0.46 0.86 -0.09 0.00 -1.04 0.00 0.00 41.12 41.31 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 -1.40 5.69 -0.04 1.67 0.01 0.02 -4.50 114.94 116.38 3hei s ASN 52 Ca 0.33 0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.66 3hei s ASN 52 Cb 0.20 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 3hei s ASN 52 CO -0.19 0.20 -0.24 0.26 -1.51 0.00 0.00 177.10 175.61 3hei s TRP 53 N 0.24 2.43 -0.09 2.20 0.52 -0.01 0.25 118.94 124.49 3hei s TRP 53 Ca 0.04 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.64 3hei s TRP 53 Cb -0.12 -1.57 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 3hei s TRP 53 CO 0.00 -0.11 -0.22 -1.17 0.02 0.00 0.00 176.95 175.46 3hei s LEU 54 N -0.37 2.02 -0.06 2.99 2.96 -0.04 -1.40 118.68 124.78 3hei s LEU 54 Ca 0.03 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3hei s LEU 54 Cb -0.12 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.26 3hei s LEU 54 CO 0.02 0.16 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.46 3hei s ARG 55 N 0.29 1.79 1.00 1.98 3.52 -0.18 0.27 118.95 127.62 3hei s ARG 55 Ca -0.16 -0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 3hei s ARG 55 Cb -0.17 -1.49 0.19 0.00 -1.56 0.00 0.00 34.95 31.92 3hei s ARG 55 CO 0.07 0.11 1.08 0.95 -0.81 0.00 0.00 175.30 176.71 3hei s THR 56 N 0.41 2.28 1.00 4.11 -4.23 -0.44 -2.55 115.64 116.23 3hei s THR 56 Ca -0.11 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.37 3hei s THR 56 Cb -0.14 -2.32 0.19 0.00 1.34 0.00 0.00 72.50 71.57 3hei s THR 56 CO 0.04 -0.12 1.08 0.20 -0.54 0.00 0.00 174.62 175.28 3hei s ASN 57 N -2.93 2.55 0.30 3.99 0.01 -1.26 -4.75 114.94 112.85 3hei s ASN 57 Ca 0.66 1.46 -0.29 0.00 -0.71 0.00 0.00 52.86 53.97 3hei s ASN 57 Cb -0.22 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.20 3hei s ASN 57 CO 0.60 -3.22 1.45 0.86 -1.51 0.00 0.00 177.10 175.28 3hei s TRP 58 N -2.81 2.90 -0.23 2.20 -0.00 -1.26 -4.69 118.94 115.05 3hei s TRP 58 Ca 0.65 1.10 0.00 0.00 -0.00 0.00 0.00 56.10 57.85 3hei s TRP 58 Cb -0.20 -3.87 0.03 0.00 -0.00 0.00 0.00 33.47 29.43 3hei s TRP 58 CO 0.59 -2.71 -0.12 0.08 -0.00 0.00 0.00 176.95 174.80 3hei s VAL 59 N -0.46 2.47 -0.01 5.86 1.01 0.76 -4.95 120.40 125.07 3hei s VAL 59 Ca 0.56 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3hei s VAL 59 Cb -0.43 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3hei s VAL 59 CO 0.50 0.28 1.46 -0.47 0.00 0.00 0.00 175.10 176.87 3hei s TYR 60 N 1.27 2.65 0.16 5.22 5.04 -1.26 -0.95 117.35 129.48 3hei s TYR 60 Ca 0.00 0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 55.27 3hei s TYR 60 Cb -0.16 -3.73 -0.01 0.00 0.35 0.00 0.00 41.96 38.41 3hei s TYR 60 CO -0.07 -2.80 1.38 -0.09 -1.34 0.00 0.00 175.55 172.62 3hei h ARG 61 N 8.20 0.39 0.00 4.97 2.43 -1.11 -3.48 114.38 125.78 3hei h ARG 61 Ca -0.38 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 3hei h ARG 61 Cb 1.18 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3hei h ARG 61 CO 0.92 1.02 0.00 0.41 -1.51 0.00 0.00 179.97 180.81 3hei n GLY 62 N 0.74 3.93 0.04 2.80 0.00 -1.26 -2.34 105.19 109.10 3hei n GLY 62 Ca -0.05 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.22 -1.67 1.61 0.28 -1.26 -4.93 120.64 128.88 3hei n GLU 63 Ca 0.00 0.04 -0.47 0.00 -0.16 0.00 0.00 57.16 56.57 3hei n GLU 63 Cb 0.00 -1.61 -0.04 0.00 1.43 0.00 0.00 31.44 31.22 3hei n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hei n ALA 64 N -1.74 1.22 -0.04 -1.84 0.00 -0.99 -4.88 120.51 112.25 3hei n ALA 64 Ca 0.03 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 3hei n ALA 64 Cb 0.41 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.42 3hei n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hei n GLU 65 N 4.22 2.19 -4.19 0.00 1.02 -1.26 -4.73 120.64 117.89 3hei n GLU 65 Ca 0.18 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 3hei n GLU 65 Cb 0.29 -1.18 -0.16 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 -2.17 2.50 0.16 3.49 3.52 -1.26 -0.43 118.95 124.76 3hei s ARG 66 Ca -0.06 -0.65 0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3hei s ARG 66 Cb 0.02 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 3hei s ARG 66 CO 0.27 -0.17 -0.04 0.96 -0.81 0.00 0.00 175.30 175.50 3hei s ILE 67 N 1.28 3.56 -0.09 4.11 -4.36 -0.48 -4.44 121.20 120.78 3hei s ILE 67 Ca 0.01 -1.42 0.03 0.00 -0.26 0.00 0.00 60.65 59.01 3hei s ILE 67 Cb -0.14 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 3hei s ILE 67 CO -0.08 -0.06 -0.18 -0.36 0.24 0.00 0.00 174.94 174.50 3hei s PHE 68 N -1.61 2.66 -0.20 1.37 0.40 0.53 -1.52 117.98 119.62 3hei s PHE 68 Ca 0.26 -0.63 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3hei s PHE 68 Cb -0.10 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.73 3hei s PHE 68 CO 0.17 -0.16 -0.14 0.42 0.70 0.00 0.00 175.22 176.20 3hei s ILE 69 N 0.01 2.46 -0.23 0.64 1.01 0.90 -1.29 121.20 124.70 3hei s ILE 69 Ca -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3hei s ILE 69 Cb -0.15 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3hei s ILE 69 CO 0.05 0.45 -0.07 -0.70 0.00 0.00 0.00 174.94 174.67 3hei s GLU 70 N 1.33 3.09 -0.12 2.79 2.12 0.13 -1.09 118.70 126.95 3hei s GLU 70 Ca 0.04 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 3hei s GLU 70 Cb -0.14 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 3hei s GLU 70 CO -0.09 -0.29 0.03 -0.51 -0.54 0.00 0.00 175.26 173.85 3hei s LEU 71 N 1.39 3.69 -0.07 2.70 1.43 0.85 -0.99 118.68 127.68 3hei s LEU 71 Ca 0.03 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3hei s LEU 71 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3hei s LEU 71 CO -0.05 0.32 -0.21 -0.54 0.23 0.00 0.00 176.35 176.10 3hei s LYS 72 N -0.53 2.49 0.06 1.70 1.02 -0.34 -1.35 119.74 122.78 3hei s LYS 72 Ca 0.10 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 3hei s LYS 72 Cb -0.12 -1.99 0.09 0.00 -0.52 0.00 0.00 37.83 35.29 3hei s LYS 72 CO 0.02 0.21 0.76 -0.59 -0.92 0.00 0.00 175.35 174.84 3hei s PHE 73 N 0.22 -0.44 0.28 3.18 -0.12 -0.88 -0.62 117.98 119.60 3hei s PHE 73 Ca -0.12 0.31 0.11 0.00 -0.05 0.00 0.00 56.93 57.18 3hei s PHE 73 Cb -0.15 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 3hei s PHE 73 CO 0.06 -0.67 -0.09 0.95 -0.05 0.00 0.00 175.22 175.42 3hei s THR 74 N -3.25 2.92 0.00 -4.49 -4.23 0.10 -1.15 115.64 105.53 3hei s THR 74 Ca 0.02 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3hei s THR 74 Cb -0.01 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 3hei s THR 74 CO -0.10 -0.36 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.92 3hei s VAL 75 N -2.43 0.08 -0.07 2.29 1.01 -1.26 -2.17 120.40 117.84 3hei s VAL 75 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 3hei s VAL 75 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 3hei s VAL 75 CO 0.18 -0.02 0.10 -0.60 0.00 0.00 0.00 175.10 174.76 3hei s ARG 76 N -0.13 3.26 0.13 2.72 3.52 -0.48 -0.18 118.95 127.77 3hei s ARG 76 Ca -0.01 -0.29 -0.31 0.00 -0.13 0.00 0.00 55.73 54.99 3hei s ARG 76 Cb -0.01 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.26 3hei s ARG 76 CO -0.00 0.72 1.84 0.34 -0.81 0.00 0.00 175.30 177.39 3hei s ASP 77 N -1.27 6.41 0.61 -2.12 -1.08 0.19 -4.64 116.67 114.78 3hei s ASP 77 Ca 0.18 2.78 0.31 0.00 -0.52 0.00 0.00 52.55 55.29 3hei s ASP 77 Cb -0.12 -2.57 1.77 0.00 -1.46 0.00 0.00 42.92 40.55 3hei s ASP 77 CO 0.08 -1.01 2.13 0.00 0.52 0.00 0.00 175.17 176.89 3hei n ASN 79 N -3.61 0.33 -0.48 0.00 5.03 -1.26 -3.89 115.26 111.38 3hei n ASN 79 Ca 0.00 0.13 0.02 0.00 0.87 0.00 0.00 54.58 55.60 3hei n ASN 79 Cb 0.28 -0.11 0.08 0.00 -1.02 0.00 0.00 39.78 39.00 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 -1.59 1.30 -4.46 6.41 3.41 -0.59 -4.75 113.62 113.36 3hei n SER 80 Ca 0.06 -2.07 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 3hei n SER 80 Cb 0.35 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.66 3.09 0.29 7.33 0.40 -1.25 -4.91 117.98 121.27 3hei s PHE 81 Ca 0.12 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3hei s PHE 81 Cb 0.07 -2.23 0.40 0.00 0.51 0.00 0.00 43.02 41.76 3hei s PHE 81 CO 0.07 -0.33 1.95 -1.35 0.70 0.00 0.00 175.22 176.25 3hei h PRO 82 N 8.17 1.12 0.00 0.24 0.11 -1.95 -3.37 132.00 136.33 3hei h PRO 82 Ca -0.38 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hei h PRO 82 Cb 1.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hei h PRO 82 CO 0.58 0.76 0.00 0.41 -0.21 0.00 0.00 178.00 179.54 3hei n GLY 83 N -1.35 0.74 0.00 -0.55 0.00 -1.26 -5.05 105.19 97.72 3hei n GLY 83 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.89 4.23 0.78 -0.02 0.00 -1.26 -5.06 105.19 105.76 3hei n GLY 84 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.00 0.00 0.42 4.61 0.00 -1.26 -4.79 120.51 116.49 3hei n ALA 85 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3hei n ALA 85 Cb 0.00 -0.25 0.49 0.00 0.00 0.00 0.00 19.45 19.69 3hei n ALA 85 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hei h SER 86 N 0.00 0.00 0.28 0.00 4.64 -1.88 -1.76 113.55 114.82 3hei h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hei h SER 86 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hei h SER 86 CO 0.00 0.00 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.23 3hei n SER 87 N -2.42 0.83 -4.78 4.97 3.41 -1.26 -4.96 113.62 109.42 3hei n SER 87 Ca 0.03 -0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 57.44 3hei n SER 87 Cb 0.29 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.92 1.38 -0.16 0.00 -0.14 -0.17 -4.98 119.74 113.75 3hei s LYS 89 Ca 0.53 -1.67 0.14 0.00 -1.36 0.00 0.00 55.97 53.61 3hei s LYS 89 Cb -0.46 -0.90 0.40 0.00 -1.68 0.00 0.00 37.83 35.20 3hei s LYS 89 CO 0.61 0.02 1.20 0.39 -0.76 0.00 0.00 175.35 176.81 3hei n GLU 90 N -0.44 1.27 -4.13 1.68 1.02 -1.26 -4.07 120.64 114.70 3hei n GLU 90 Ca -0.06 -2.98 -0.10 0.00 -0.02 0.00 0.00 57.16 54.00 3hei n GLU 90 Cb 0.63 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.61 0.10 0.27 2.62 -4.23 -1.26 -4.40 115.64 106.13 3hei s THR 91 Ca 0.36 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 3hei s THR 91 Cb 0.36 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 3hei s THR 91 CO -0.08 -0.43 0.16 0.72 -0.54 0.00 0.00 174.62 174.45 3hei s PHE 92 N -4.04 1.49 -0.07 3.99 -0.12 -1.02 -4.64 117.98 113.58 3hei s PHE 92 Ca 0.24 -1.38 0.03 0.00 -0.05 0.00 0.00 56.93 55.77 3hei s PHE 92 Cb 0.07 -0.77 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 3hei s PHE 92 CO 0.02 -0.57 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.66 3hei s ASN 93 N -3.31 3.84 -0.16 1.98 0.01 -0.62 -0.14 114.94 116.54 3hei s ASN 93 Ca 0.37 -0.28 -0.09 0.00 -0.71 0.00 0.00 52.86 52.16 3hei s ASN 93 Cb 0.06 -0.97 -0.05 0.00 0.41 0.00 0.00 41.25 40.70 3hei s ASN 93 CO 0.17 0.29 0.14 -0.22 -1.51 0.00 0.00 177.10 175.97 3hei s LEU 94 N -0.42 4.30 0.16 0.60 2.96 -0.49 -0.91 118.68 124.87 3hei s LEU 94 Ca 0.05 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3hei s LEU 94 Cb -0.12 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3hei s LEU 94 CO 0.02 0.29 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.02 3hei s TYR 95 N -0.33 1.16 0.15 5.38 1.51 0.03 -0.81 117.35 124.44 3hei s TYR 95 Ca 0.11 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 55.09 3hei s TYR 95 Cb -0.12 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.08 3hei s TYR 95 CO 0.01 -0.18 0.31 1.52 -1.11 0.00 0.00 175.55 176.09 3hei s TYR 96 N -3.63 0.25 -0.13 2.71 -0.85 -0.73 -0.56 117.35 114.41 3hei s TYR 96 Ca 0.21 -0.62 -0.12 0.00 -0.52 0.00 0.00 57.07 56.03 3hei s TYR 96 Cb 0.06 0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.45 3hei s TYR 96 CO 0.02 -0.71 0.34 0.00 -1.52 0.00 0.00 175.55 173.68 3hei s ALA 97 N -3.93 -0.84 0.08 9.51 0.00 -0.40 -0.66 121.76 125.52 3hei s ALA 97 Ca 0.13 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3hei s ALA 97 Cb 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3hei s ALA 97 CO -0.03 -0.16 0.20 -1.21 0.00 0.00 0.00 175.76 174.56 3hei s GLU 98 N 0.24 3.36 0.24 0.00 2.02 -1.26 -0.29 118.70 123.00 3hei s GLU 98 Ca -0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 3hei s GLU 98 Cb -0.03 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3hei s GLU 98 CO -0.00 0.59 0.51 -1.54 0.02 0.00 0.00 175.26 174.83 3hei s SER 99 N -2.64 -0.14 0.01 -0.19 1.04 -0.61 -4.97 113.70 106.20 3hei s SER 99 Ca 0.34 -0.79 0.23 0.00 0.48 0.00 0.00 55.95 56.21 3hei s SER 99 Cb -0.12 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.70 3hei s SER 99 CO 0.27 -1.14 1.12 0.47 0.98 0.00 0.00 173.24 174.95 3hei n ASP 100 N -0.37 0.72 -4.09 7.02 8.00 -1.26 -2.04 116.55 124.52 3hei n ASP 100 Ca -0.04 -0.54 -0.09 0.00 0.71 0.00 0.00 54.79 54.83 3hei n ASP 100 Cb 0.62 0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 42.29 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 -3.19 2.42 -0.24 0.64 2.34 -1.26 -4.75 118.68 114.63 3hei s LEU 101 Ca 0.08 -0.86 -0.25 0.00 0.06 0.00 0.00 54.13 53.16 3hei s LEU 101 Cb 0.16 0.06 -0.00 0.00 -0.56 0.00 0.00 46.19 45.85 3hei s LEU 101 CO 0.79 -0.46 0.87 -0.62 -1.06 0.00 0.00 176.35 175.87 3hei s ASP 102 N -2.53 6.87 0.02 1.48 2.15 -1.26 -4.91 116.67 118.49 3hei s ASP 102 Ca 0.02 1.08 0.28 0.00 0.43 0.00 0.00 52.55 54.36 3hei s ASP 102 Cb 0.02 -2.45 1.18 0.00 -0.30 0.00 0.00 42.92 41.36 3hei s ASP 102 CO -0.06 -0.55 1.90 -1.22 -0.17 0.00 0.00 175.17 175.07 3hei n TYR 103 N 6.08 0.09 0.00 -5.34 4.01 -1.26 -4.98 117.16 115.76 3hei n TYR 103 Ca 0.07 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3hei n TYR 103 Cb 0.47 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 1.43 3.04 0.06 2.72 0.00 -1.26 -1.97 105.19 109.21 3hei n GLY 104 Ca 0.07 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.99 2.61 -2.24 -1.26 -4.53 114.28 105.87 3hei n THR 105 Ca 0.00 -0.03 -0.44 0.00 -2.27 0.00 0.00 64.05 61.31 3hei n THR 105 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.90 5.26 -4.69 3.42 4.05 -0.83 -4.98 115.26 116.60 3hei n ASN 106 Ca 0.21 -2.99 -0.41 0.00 0.45 0.00 0.00 54.58 51.85 3hei n ASN 106 Cb 0.17 -1.55 -0.04 0.00 1.23 0.00 0.00 39.78 39.59 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 1.23 3.49 -0.21 1.20 5.36 -1.26 -4.85 117.98 122.94 3hei s PHE 107 Ca 0.42 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.76 3hei s PHE 107 Cb -0.04 -3.01 0.04 0.00 -0.34 0.00 0.00 43.02 39.67 3hei s PHE 107 CO -0.01 -0.14 -0.13 -0.65 -1.46 0.00 0.00 175.22 172.83 3hei s GLN 108 N 1.72 2.35 0.20 10.12 -1.52 -1.26 -5.01 119.66 126.25 3hei s GLN 108 Ca 0.41 -0.99 -0.11 0.00 -1.95 0.00 0.00 55.36 52.72 3hei s GLN 108 Cb -0.18 -2.60 0.23 0.00 -0.22 0.00 0.00 33.01 30.25 3hei s GLN 108 CO 0.16 -0.41 1.72 0.87 -0.25 0.00 0.00 175.29 177.39 3hei h LYS 109 N 7.90 0.29 0.00 2.91 1.57 -1.98 -1.90 116.57 125.37 3hei h LYS 109 Ca -0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3hei h LYS 109 Cb 1.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3hei h LYS 109 CO 0.51 0.19 0.00 -0.09 -0.57 0.00 0.00 179.45 179.49 3hei h ARG 110 N 0.30 0.00 0.00 3.15 2.43 -2.04 -0.54 114.38 117.67 3hei h ARG 110 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3hei h ARG 110 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3hei h ARG 110 CO -0.33 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.41 3hei n LEU 111 N -2.77 0.00 -4.85 3.80 4.77 -0.71 -4.87 117.00 112.36 3hei n LEU 111 Ca -0.01 0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 3hei n LEU 111 Cb 0.11 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3hei n LEU 111 CO 0.18 -0.08 0.07 -0.36 -1.33 0.00 0.00 177.39 175.87 3hei s PHE 112 N -2.86 3.65 -0.13 -1.77 0.40 -0.21 -4.71 117.98 112.34 3hei s PHE 112 Ca 0.15 0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 57.30 3hei s PHE 112 Cb 0.16 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3hei s PHE 112 CO 0.41 0.60 -0.01 0.99 0.70 0.00 0.00 175.22 177.91 3hei s THR 113 N -1.22 4.16 0.23 0.64 2.01 0.17 -4.91 115.64 116.71 3hei s THR 113 Ca 0.27 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3hei s THR 113 Cb -0.15 -2.80 -0.09 0.00 0.01 0.00 0.00 72.50 69.47 3hei s THR 113 CO 0.15 0.53 1.26 -0.75 -0.69 0.00 0.00 174.62 175.12 3hei s LYS 114 N -0.11 4.43 -0.20 4.92 2.20 -1.26 -1.77 119.74 127.94 3hei s LYS 114 Ca 0.04 2.02 -0.16 0.00 -0.36 0.00 0.00 55.97 57.51 3hei s LYS 114 Cb -0.13 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 3hei s LYS 114 CO 0.02 -0.16 -0.18 -0.89 -0.36 0.00 0.00 175.35 173.79 3hei n ILE 115 N 2.10 1.50 -3.52 5.43 2.08 0.01 -4.94 119.36 122.02 3hei n ILE 115 Ca 0.04 -0.02 -0.09 0.00 0.56 0.00 0.00 62.75 63.24 3hei n ILE 115 Cb 0.43 -2.16 -0.02 0.00 -0.75 0.00 0.00 39.64 37.14 3hei n ILE 115 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hei s ASP 116 N -6.52 -0.36 0.23 4.38 3.68 -1.15 -5.03 116.67 111.89 3hei s ASP 116 Ca -0.28 0.06 -0.30 0.00 2.13 0.00 0.00 52.55 54.16 3hei s ASP 116 Cb 0.07 0.37 -0.09 0.00 -1.45 0.00 0.00 42.92 41.82 3hei s ASP 116 CO 0.43 -0.57 1.16 -0.89 0.13 0.00 0.00 175.17 175.43 3hei s THR 117 N -2.82 3.51 -0.24 1.71 2.01 -1.26 -1.40 115.64 117.15 3hei s THR 117 Ca 0.04 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.37 3hei s THR 117 Cb -0.01 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.62 3hei s THR 117 CO -0.07 0.27 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.48 3hei s ILE 118 N -0.55 3.46 -0.01 1.82 -1.09 0.80 -4.94 121.20 120.68 3hei s ILE 118 Ca 0.49 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 3hei s ILE 118 Cb -0.32 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 3hei s ILE 118 CO 0.39 0.31 -0.18 0.00 -1.23 0.00 0.00 174.94 174.24 3hei s ALA 119 N 1.46 2.54 0.06 9.38 0.00 -1.26 -2.43 121.76 131.51 3hei s ALA 119 Ca 0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 3hei s ALA 119 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3hei s ALA 119 CO -0.02 0.56 1.12 -1.25 0.00 0.00 0.00 175.76 176.17 3hei s PRO 120 N -0.95 4.49 0.36 0.00 0.04 -1.26 -4.94 135.00 132.74 3hei s PRO 120 Ca 0.12 1.65 0.15 0.00 0.04 0.00 0.00 61.00 62.96 3hei s PRO 120 Cb -0.10 -3.37 0.66 0.00 0.04 0.00 0.00 34.50 31.73 3hei s PRO 120 CO 0.02 -0.15 1.76 -0.44 0.04 0.00 0.00 177.00 178.23 3hei h ASP 121 N 6.59 0.00 -3.46 6.66 3.45 -1.98 -3.42 116.42 124.27 3hei h ASP 121 Ca -0.42 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.47 3hei h ASP 121 Cb 1.22 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.60 3hei h ASP 121 CO 0.78 0.42 -0.78 -1.61 -1.57 0.00 0.00 179.24 176.49 3hei s GLU 122 N -3.89 1.25 0.19 3.56 0.41 -1.26 -5.12 118.70 113.84 3hei s GLU 122 Ca -0.02 -0.71 -0.14 0.00 -0.41 0.00 0.00 54.97 53.69 3hei s GLU 122 Cb 0.13 -2.32 -0.07 0.00 -1.78 0.00 0.00 34.13 30.09 3hei s GLU 122 CO 0.72 -0.58 0.58 -1.50 -0.49 0.00 0.00 175.26 173.99 3hei s ILE 123 N 1.60 4.82 -0.18 -1.63 2.07 -1.26 -4.61 121.20 122.01 3hei s ILE 123 Ca -0.03 0.82 -0.25 0.00 -1.41 0.00 0.00 60.65 59.78 3hei s ILE 123 Cb -0.18 -3.72 -0.01 0.00 0.13 0.00 0.00 42.46 38.68 3hei s ILE 123 CO -0.07 0.14 0.83 -0.89 -1.91 0.00 0.00 174.94 173.04 3hei s THR 124 N -1.58 4.88 0.35 4.00 2.01 0.74 -4.88 115.64 121.16 3hei s THR 124 Ca 0.42 1.62 0.08 0.00 0.31 0.00 0.00 61.69 64.11 3hei s THR 124 Cb -0.14 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3hei s THR 124 CO 0.20 0.01 0.28 0.68 -0.69 0.00 0.00 174.62 175.10 3hei s VAL 125 N 2.24 3.25 0.19 3.82 -7.23 -1.26 0.56 120.40 121.97 3hei s VAL 125 Ca 0.38 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 3hei s VAL 125 Cb -0.16 -3.11 0.12 0.00 0.56 0.00 0.00 36.38 33.79 3hei s VAL 125 CO 0.12 -0.14 1.71 0.28 -0.31 0.00 0.00 175.10 176.76 3hei h SER 126 N 1.25 -0.02 0.00 4.85 0.02 -1.94 -0.76 113.55 116.96 3hei h SER 126 Ca -0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3hei h SER 126 Cb 1.26 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3hei h SER 126 CO 0.59 0.01 0.11 -1.54 -1.14 0.00 0.00 176.83 174.87 3hei n SER 127 N -5.13 0.46 0.20 3.07 3.41 -1.26 -1.58 113.62 112.79 3hei n SER 127 Ca 0.06 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 3hei n SER 127 Cb 0.26 -0.69 0.30 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 0.16 4.04 3.45 -1.47 -2.30 116.42 120.30 3hei h ASP 128 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3hei h ASP 128 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3hei h ASP 128 CO 0.00 0.26 -0.08 -0.26 -1.57 0.00 0.00 179.24 177.59 3hei h PHE 129 N 0.00 -0.20 -0.21 4.55 0.04 -1.43 0.04 116.94 119.73 3hei h PHE 129 Ca -0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.82 3hei h PHE 129 Cb 0.96 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 39.12 3hei h PHE 129 CO 0.00 0.22 -0.21 0.93 -0.60 0.00 0.00 178.31 178.65 3hei h GLU 130 N -0.74 -0.22 0.00 1.51 4.39 -1.68 -1.23 114.58 116.61 3hei h GLU 130 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3hei h GLU 130 Cb 0.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3hei h GLU 130 CO 0.04 -0.15 0.00 0.00 -1.16 0.00 0.00 179.01 177.74 3hei n ALA 131 N -2.73 2.07 -4.22 3.43 0.00 -0.87 -4.87 120.51 113.32 3hei n ALA 131 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3hei n ALA 131 Cb 0.27 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.89 -0.93 -3.75 0.00 1.74 -0.47 -4.93 116.66 107.42 3hei n ARG 132 Ca 0.09 0.09 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 3hei n ARG 132 Cb 0.04 -3.43 -0.08 0.00 -1.02 0.00 0.00 32.46 27.97 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 -4.24 3.43 -0.29 -1.55 2.46 -0.04 -5.03 115.29 110.02 3hei s HIS 133 Ca 0.04 0.35 -0.09 0.00 0.47 0.00 0.00 55.06 55.83 3hei s HIS 133 Cb -0.03 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.28 3hei s HIS 133 CO 0.94 0.34 0.13 0.08 -2.47 0.00 0.00 174.74 173.76 3hei s VAL 134 N 0.20 4.55 -0.80 0.89 1.01 -1.26 -4.76 120.40 120.23 3hei s VAL 134 Ca 0.09 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3hei s VAL 134 Cb -0.11 -3.27 0.17 0.00 0.00 0.00 0.00 36.38 33.17 3hei s VAL 134 CO -0.01 0.14 0.84 -0.54 0.00 0.00 0.00 175.10 175.53 3hei s LYS 135 N 1.62 3.48 -0.44 2.72 1.02 -1.26 -5.02 119.74 121.87 3hei s LYS 135 Ca 0.05 -2.07 -0.22 0.00 0.02 0.00 0.00 55.97 53.75 3hei s LYS 135 Cb -0.17 -4.53 0.02 0.00 -0.52 0.00 0.00 37.83 32.64 3hei s LYS 135 CO 0.06 -1.46 0.73 -1.17 -0.92 0.00 0.00 175.35 172.59 3hei s LEU 136 N 1.28 4.33 0.39 3.17 2.96 -1.26 -4.54 118.68 125.01 3hei s LEU 136 Ca 0.20 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.85 3hei s LEU 136 Cb -0.12 -2.88 -0.07 0.00 0.50 0.00 0.00 46.19 43.62 3hei s LEU 136 CO -0.06 -0.85 0.75 0.20 -1.32 0.00 0.00 176.35 175.07 3hei s ASN 137 N 2.06 6.54 -0.06 3.68 0.01 -0.30 -4.87 114.94 122.00 3hei s ASN 137 Ca 0.27 1.12 0.02 0.00 -0.71 0.00 0.00 52.86 53.56 3hei s ASN 137 Cb -0.13 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3hei s ASN 137 CO 0.21 -0.37 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.66 3hei s VAL 138 N -2.31 0.82 -0.00 1.60 1.01 -1.26 -2.08 120.40 118.18 3hei s VAL 138 Ca 0.51 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3hei s VAL 138 Cb -0.10 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3hei s VAL 138 CO 0.30 0.29 -0.06 -1.61 0.00 0.00 0.00 175.10 174.02 3hei s GLU 139 N 0.84 0.45 -0.01 2.72 0.41 -0.46 -4.97 118.70 117.68 3hei s GLU 139 Ca -0.12 -0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 3hei s GLU 139 Cb -0.15 -0.43 -0.01 0.00 -1.78 0.00 0.00 34.13 31.76 3hei s GLU 139 CO 0.01 0.12 -0.14 -2.00 -0.49 0.00 0.00 175.26 172.76 3hei s GLU 140 N -0.17 1.16 0.17 1.61 2.12 -1.26 -0.10 118.70 122.23 3hei s GLU 140 Ca 0.02 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.82 3hei s GLU 140 Cb -0.02 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 3hei s GLU 140 CO -0.00 0.31 0.05 1.03 -0.54 0.00 0.00 175.26 176.10 3hei s ARG 141 N -0.39 1.08 0.10 4.30 1.81 -0.25 -4.98 118.95 120.63 3hei s ARG 141 Ca 0.05 -1.53 0.06 0.00 -1.72 0.00 0.00 55.73 52.59 3hei s ARG 141 Cb -0.06 -0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 3hei s ARG 141 CO -0.00 -0.22 -0.14 -1.54 -0.68 0.00 0.00 175.30 172.71 3hei s SER 142 N -3.14 1.89 -0.00 0.23 1.04 -1.26 -0.07 113.70 112.39 3hei s SER 142 Ca 0.27 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.96 3hei s SER 142 Cb 0.07 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 3hei s SER 142 CO 0.05 -0.12 -0.03 -0.69 0.98 0.00 0.00 173.24 173.43 3hei s VAL 143 N -1.83 0.22 0.00 5.02 1.01 -0.57 -5.00 120.40 119.25 3hei s VAL 143 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3hei s VAL 143 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.12 3hei s VAL 143 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3hei n GLY 144 N 2.99 2.02 3.79 4.51 0.00 -1.26 -1.38 105.19 115.84 3hei n GLY 144 Ca -0.13 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 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 4.50 0.25 1.61 0.04 -1.26 -5.06 135.00 133.08 3hei s PRO 145 Ca 0.00 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 3hei s PRO 145 Cb 0.00 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 3hei s PRO 145 CO 0.00 0.51 0.76 -0.51 0.04 0.00 0.00 177.00 177.80 3hei s LEU 146 N -1.41 4.32 0.00 -3.56 1.43 0.43 -4.99 118.68 114.91 3hei s LEU 146 Ca 0.39 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3hei s LEU 146 Cb -0.21 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.31 3hei s LEU 146 CO 0.25 -0.00 0.00 0.35 0.23 0.00 0.00 176.35 177.18 3hei n THR 147 N 0.62 0.00 -2.57 5.49 -2.24 -1.26 -4.75 114.28 109.56 3hei n THR 147 Ca -0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 3hei n THR 147 Cb 0.51 0.19 0.09 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.53 1.85 0.34 -0.78 1.81 -1.26 -4.99 118.95 114.39 3hei s ARG 148 Ca 0.00 -1.01 0.03 0.00 -1.72 0.00 0.00 55.73 53.03 3hei s ARG 148 Cb 0.00 -2.35 0.61 0.00 -0.45 0.00 0.00 34.95 32.76 3hei s ARG 148 CO 0.00 -1.31 1.92 -0.22 -0.68 0.00 0.00 175.30 175.01 3hei h LYS 149 N -0.43 0.65 -3.28 3.54 3.64 -1.84 -3.43 116.57 115.43 3hei h LYS 149 Ca -0.38 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3hei h LYS 149 Cb 1.27 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 3hei h LYS 149 CO 0.43 0.56 0.14 0.20 -2.27 0.00 0.00 179.45 178.51 3hei s GLY 150 N -3.70 0.53 0.12 5.01 0.00 -0.87 -0.57 107.32 107.84 3hei s GLY 150 Ca -0.09 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 3hei s GLY 150 CO 0.77 -0.44 0.27 -0.11 0.00 0.00 0.00 173.10 173.59 3hei s PHE 151 N -2.86 0.11 0.21 1.90 -0.12 -0.13 -1.58 117.98 115.50 3hei s PHE 151 Ca 0.18 -0.50 0.11 0.00 -0.05 0.00 0.00 56.93 56.68 3hei s PHE 151 Cb -0.04 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3hei s PHE 151 CO 0.12 -0.63 -0.22 0.71 -0.05 0.00 0.00 175.22 175.15 3hei s TYR 152 N -3.87 2.33 0.16 3.49 1.51 0.60 -0.17 117.35 121.40 3hei s TYR 152 Ca 0.07 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3hei s TYR 152 Cb 0.04 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 3hei s TYR 152 CO -0.09 0.53 0.05 -0.51 -1.11 0.00 0.00 175.55 174.42 3hei s LEU 153 N -2.81 3.50 0.03 -1.29 1.02 -1.26 -1.28 118.68 116.59 3hei s LEU 153 Ca 0.22 -0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.05 3hei s LEU 153 Cb -0.08 -2.14 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 3hei s LEU 153 CO 0.11 0.09 0.06 0.00 0.02 0.00 0.00 176.35 176.63 3hei s ALA 154 N -1.70 -0.00 -0.16 4.21 0.00 0.28 -1.33 121.76 123.06 3hei s ALA 154 Ca 0.28 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3hei s ALA 154 Cb -0.10 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3hei s ALA 154 CO 0.20 -0.28 -0.19 -0.06 0.00 0.00 0.00 175.76 175.43 3hei s PHE 155 N -2.35 2.61 -0.27 0.00 0.40 0.14 -0.79 117.98 117.72 3hei s PHE 155 Ca -0.07 -1.45 -0.10 0.00 -0.60 0.00 0.00 56.93 54.70 3hei s PHE 155 Cb -0.03 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 3hei s PHE 155 CO -0.04 -0.71 0.17 -1.14 0.70 0.00 0.00 175.22 174.20 3hei s GLN 156 N 1.16 3.95 -0.14 0.44 0.74 -0.09 -0.86 119.66 124.86 3hei s GLN 156 Ca 0.01 -0.32 -0.14 0.00 0.05 0.00 0.00 55.36 54.95 3hei s GLN 156 Cb -0.14 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 3hei s GLN 156 CO -0.09 -0.11 0.32 0.34 -0.55 0.00 0.00 175.29 175.19 3hei s ASP 157 N 1.55 6.50 -0.10 6.67 -1.08 0.14 -1.58 116.67 128.77 3hei s ASP 157 Ca 0.07 0.58 0.14 0.00 -0.52 0.00 0.00 52.55 52.82 3hei s ASP 157 Cb -0.15 -2.19 0.41 0.00 -1.46 0.00 0.00 42.92 39.52 3hei s ASP 157 CO 0.09 0.13 1.33 2.30 0.52 0.00 0.00 175.17 179.53 3hei n ILE 158 N 3.31 1.70 0.00 4.11 -5.35 -1.26 -0.79 119.36 121.08 3hei n ILE 158 Ca -0.12 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 3hei n ILE 158 Cb 0.52 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 -0.13 1.24 3.93 3.28 0.00 -1.26 -4.32 105.19 107.93 3hei n GLY 159 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.78 4.49 -0.40 4.61 0.00 -1.26 -1.00 121.76 126.43 3hei s ALA 160 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.56 3hei s ALA 160 Cb 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.36 3hei s ALA 160 CO 0.00 -0.53 0.14 0.00 0.00 0.00 0.00 175.76 175.37 3hei s VAL 162 N 0.55 0.98 -0.15 0.00 1.01 -0.37 -1.39 120.40 121.03 3hei s VAL 162 Ca 0.13 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3hei s VAL 162 Cb -0.21 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3hei s VAL 162 CO -0.07 0.28 -0.21 0.00 0.00 0.00 0.00 175.10 175.11 3hei s ALA 163 N -0.15 2.26 -0.32 5.51 0.00 -0.92 -1.82 121.76 126.32 3hei s ALA 163 Ca 0.02 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 3hei s ALA 163 Cb -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.04 3hei s ALA 163 CO -0.00 -0.13 0.09 -1.17 0.00 0.00 0.00 175.76 174.54 3hei s LEU 164 N 0.97 4.14 -0.19 0.00 2.96 0.16 -0.73 118.68 126.00 3hei s LEU 164 Ca -0.03 -1.03 0.16 0.00 -0.22 0.00 0.00 54.13 53.00 3hei s LEU 164 Cb -0.15 -1.86 -0.22 0.00 0.50 0.00 0.00 46.19 44.46 3hei s LEU 164 CO -0.06 -0.28 0.05 0.18 -1.32 0.00 0.00 176.35 174.92 3hei n LEU 165 N 4.81 0.15 -3.82 -0.68 7.99 0.21 -1.74 117.00 123.91 3hei n LEU 165 Ca -0.13 -0.01 -0.13 0.00 -0.01 0.00 0.00 56.01 55.74 3hei n LEU 165 Cb 0.45 0.39 -0.14 0.00 -0.11 0.00 0.00 43.42 44.02 3hei n LEU 165 CO 0.31 0.48 -0.28 -0.55 -1.51 0.00 0.00 177.39 175.84 3hei s SER 166 N -5.33 -0.07 -0.21 -1.43 0.15 -0.97 -4.37 113.70 101.49 3hei s SER 166 Ca -0.10 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 3hei s SER 166 Cb 0.06 0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.57 3hei s SER 166 CO 0.75 -0.06 0.07 -0.69 1.20 0.00 0.00 173.24 174.51 3hei s VAL 167 N 0.32 0.33 -0.10 4.45 1.01 -1.26 -1.19 120.40 123.96 3hei s VAL 167 Ca -0.02 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3hei s VAL 167 Cb -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3hei s VAL 167 CO -0.01 -0.32 -0.16 -0.60 0.00 0.00 0.00 175.10 174.01 3hei s ARG 168 N 1.94 2.23 -0.12 2.72 3.52 -0.16 -1.64 118.95 127.44 3hei s ARG 168 Ca 0.02 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3hei s ARG 168 Cb -0.17 -1.87 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 3hei s ARG 168 CO -0.13 -0.04 -0.21 0.08 -0.81 0.00 0.00 175.30 174.19 3hei s VAL 169 N 0.91 1.95 0.07 7.11 1.01 -0.26 0.22 120.40 131.41 3hei s VAL 169 Ca -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3hei s VAL 169 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3hei s VAL 169 CO -0.00 0.53 0.10 -0.72 0.00 0.00 0.00 175.10 175.01 3hei s TYR 170 N 0.69 0.28 0.38 5.22 -0.85 -0.41 0.08 117.35 122.73 3hei s TYR 170 Ca -0.11 -0.73 0.08 0.00 -0.52 0.00 0.00 57.07 55.79 3hei s TYR 170 Cb -0.16 -0.18 -0.07 0.00 0.38 0.00 0.00 41.96 41.93 3hei s TYR 170 CO 0.02 -0.47 -0.02 1.52 -1.52 0.00 0.00 175.55 175.09 3hei s TYR 171 N -3.71 2.49 -0.23 -3.49 -0.85 -0.03 -0.35 117.35 111.18 3hei s TYR 171 Ca 0.04 -0.56 -0.09 0.00 -0.52 0.00 0.00 57.07 55.94 3hei s TYR 171 Cb 0.05 -1.60 -0.04 0.00 0.38 0.00 0.00 41.96 40.75 3hei s TYR 171 CO -0.10 0.48 0.12 0.15 -1.52 0.00 0.00 175.55 174.68 3hei s LYS 172 N -3.69 3.93 -0.18 -3.49 1.02 -1.26 0.46 119.74 116.53 3hei s LYS 172 Ca 0.35 -0.35 -0.19 0.00 0.02 0.00 0.00 55.97 55.80 3hei s LYS 172 Cb 0.05 -3.42 -0.15 0.00 -0.52 0.00 0.00 37.83 33.79 3hei s LYS 172 CO 0.18 0.02 0.19 -0.22 -0.92 0.00 0.00 175.35 174.60 3hei h LYS 173 N 7.59 0.00 -0.02 1.68 3.64 -1.96 -3.49 116.57 124.01 3hei h LYS 173 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3hei h LYS 173 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hei h LYS 173 CO 0.63 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 178.54