#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sje n GLU 4 N 0.00 3.65 -3.78 3.44 0.28 -1.26 -5.10 120.64 117.88 1sje n GLU 4 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1sje n GLU 4 Cb 0.00 -0.68 -0.11 0.00 1.43 0.00 0.00 31.44 32.08 1sje n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1sje s HIS 5 N -0.77 -0.28 -0.06 -1.84 3.76 -1.26 -5.06 115.29 109.78 1sje s HIS 5 Ca 0.00 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 1sje s HIS 5 Cb 0.00 0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.81 1sje s HIS 5 CO 0.00 -0.19 -0.04 0.08 -0.85 0.00 0.00 174.74 173.74 1sje s VAL 6 N -0.12 0.57 -0.21 -0.90 1.01 -1.26 -5.04 120.40 114.46 1sje s VAL 6 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1sje s VAL 6 Cb -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1sje s VAL 6 CO 0.01 0.26 -0.07 -0.63 0.00 0.00 0.00 175.10 174.66 1sje s ILE 7 N 1.30 3.16 -0.10 2.22 1.01 -1.26 -1.91 121.20 125.61 1sje s ILE 7 Ca -0.05 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1sje s ILE 7 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1sje s ILE 7 CO -0.02 0.45 -0.16 -0.63 0.00 0.00 0.00 174.94 174.57 1sje s ILE 8 N 1.33 2.78 -0.41 2.92 1.01 0.15 -4.94 121.20 124.04 1sje s ILE 8 Ca 0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1sje s ILE 8 Cb -0.14 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1sje s ILE 8 CO -0.04 0.55 0.29 -1.58 0.00 0.00 0.00 174.94 174.16 1sje s GLN 9 N 0.09 2.88 -0.07 2.79 0.74 -1.26 0.32 119.66 125.15 1sje s GLN 9 Ca -0.07 -1.16 0.04 0.00 0.05 0.00 0.00 55.36 54.22 1sje s GLN 9 Cb -0.15 -3.91 -0.02 0.00 1.10 0.00 0.00 33.01 30.03 1sje s GLN 9 CO 0.05 -0.82 -0.18 0.00 -0.55 0.00 0.00 175.29 173.79 1sje s ALA 10 N 1.60 2.45 0.06 1.58 0.00 -0.11 -4.98 121.76 122.36 1sje s ALA 10 Ca 0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1sje s ALA 10 Cb -0.21 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1sje s ALA 10 CO 0.07 0.43 0.02 -1.83 0.00 0.00 0.00 175.76 174.45 1sje s GLU 11 N -0.24 0.67 0.16 0.00 -1.05 -1.26 -0.80 118.70 116.18 1sje s GLU 11 Ca 0.00 -1.17 -0.23 0.00 -0.15 0.00 0.00 54.97 53.42 1sje s GLU 11 Cb -0.13 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.86 1sje s GLU 11 CO 0.03 -0.15 0.65 -0.59 0.95 0.00 0.00 175.26 176.15 1sje s PHE 12 N -3.91 -0.45 -0.02 4.83 -0.12 -0.51 -4.98 117.98 112.82 1sje s PHE 12 Ca 0.07 0.21 0.00 0.00 -0.05 0.00 0.00 56.93 57.16 1sje s PHE 12 Cb 0.07 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1sje s PHE 12 CO -0.10 -0.89 0.01 -0.47 -0.05 0.00 0.00 175.22 173.73 1sje s TYR 13 N -3.71 0.18 -0.16 3.49 5.04 -1.26 -1.96 117.35 118.98 1sje s TYR 13 Ca 0.03 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1sje s TYR 13 Cb -0.02 -0.33 0.00 0.00 0.35 0.00 0.00 41.96 41.97 1sje s TYR 13 CO -0.09 -0.11 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.67 1sje s LEU 14 N 1.05 2.37 0.05 6.97 2.96 0.48 -4.97 118.68 127.58 1sje s LEU 14 Ca -0.09 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1sje s LEU 14 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1sje s LEU 14 CO -0.02 0.07 0.09 0.20 -1.32 0.00 0.00 176.35 175.37 1sje s ASN 15 N 0.88 5.65 0.00 3.68 0.01 -1.26 -0.03 114.94 123.88 1sje s ASN 15 Ca -0.04 0.07 0.19 0.00 -0.71 0.00 0.00 52.86 52.37 1sje s ASN 15 Cb -0.15 -1.58 0.54 0.00 0.41 0.00 0.00 41.25 40.48 1sje s ASN 15 CO -0.02 0.21 1.44 -0.81 -1.51 0.00 0.00 177.10 176.41 1sje n PRO 16 N 0.72 2.05 0.28 -0.60 -0.04 -1.26 -4.86 135.00 131.29 1sje n PRO 16 Ca -0.10 -1.60 0.15 0.00 -0.04 0.00 0.00 63.50 61.90 1sje n PRO 16 Cb 0.52 -1.41 0.84 0.00 -0.04 0.00 0.00 33.50 33.41 1sje n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1sje h ASP 17 N 2.93 0.00 -2.11 3.54 5.19 -2.01 -3.46 116.42 120.51 1sje h ASP 17 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 1sje h ASP 17 Cb 0.66 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.17 1sje h ASP 17 CO 0.00 0.06 -0.31 0.00 -3.12 0.00 0.00 179.24 175.87 1sje n GLN 18 N -3.68 -1.74 -2.87 3.56 6.02 0.96 -4.99 117.38 114.64 1sje n GLN 18 Ca -0.02 0.53 -0.41 0.00 -0.01 0.00 0.00 57.00 57.09 1sje n GLN 18 Cb 0.16 -4.61 -0.04 0.00 1.02 0.00 0.00 30.24 26.77 1sje n GLN 18 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1sje s SER 19 N -2.65 7.24 0.01 1.08 0.01 -0.93 -4.88 113.70 113.58 1sje s SER 19 Ca 0.08 1.50 0.04 0.00 1.31 0.00 0.00 55.95 58.87 1sje s SER 19 Cb -0.03 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1sje s SER 19 CO 0.10 -0.12 -0.12 -0.83 0.41 0.00 0.00 173.24 172.67 1sje s GLY 20 N 0.54 0.65 -0.03 3.44 0.00 -1.26 -0.39 107.32 110.26 1sje s GLY 20 Ca 0.44 -0.63 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 1sje s GLY 20 CO 0.24 -0.57 0.25 1.85 0.00 0.00 0.00 173.10 174.86 1sje s GLU 21 N -0.65 0.52 -0.16 2.90 2.12 -0.83 -4.94 118.70 117.67 1sje s GLU 21 Ca 0.03 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 1sje s GLU 21 Cb -0.06 0.23 0.08 0.00 0.26 0.00 0.00 34.13 34.64 1sje s GLU 21 CO 0.00 -0.13 0.24 0.12 -0.54 0.00 0.00 175.26 174.95 1sje s PHE 22 N -0.98 -0.35 0.19 5.30 2.19 -1.26 -1.42 117.98 121.65 1sje s PHE 22 Ca -0.11 0.59 -0.04 0.00 0.33 0.00 0.00 56.93 57.70 1sje s PHE 22 Cb -0.05 -0.21 -0.03 0.00 -1.31 0.00 0.00 43.02 41.42 1sje s PHE 22 CO 0.02 -0.47 0.19 0.00 1.83 0.00 0.00 175.22 176.80 1sje s MET 23 N 2.37 1.20 -0.02 10.12 0.23 0.02 -1.26 119.30 131.96 1sje s MET 23 Ca 0.05 -1.48 0.07 0.00 -1.03 0.00 0.00 55.69 53.30 1sje s MET 23 Cb -0.14 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1sje s MET 23 CO -0.10 -0.41 -0.23 -0.06 -2.03 0.00 0.00 175.02 172.19 1sje s PHE 24 N -4.09 2.04 -0.03 3.16 0.40 -0.41 -0.94 117.98 118.10 1sje s PHE 24 Ca 0.31 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1sje s PHE 24 Cb 0.05 -1.31 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1sje s PHE 24 CO 0.08 -0.05 -0.20 0.34 0.70 0.00 0.00 175.22 176.09 1sje s ASP 25 N -0.49 2.43 -0.23 1.36 -1.08 0.15 -0.71 116.67 118.11 1sje s ASP 25 Ca 0.07 -0.39 0.01 0.00 -0.52 0.00 0.00 52.55 51.73 1sje s ASP 25 Cb -0.09 -0.50 0.05 0.00 -1.46 0.00 0.00 42.92 40.92 1sje s ASP 25 CO -0.00 0.21 -0.08 0.12 0.52 0.00 0.00 175.17 175.94 1sje s PHE 26 N -0.22 2.54 -1.63 -5.34 5.36 0.90 -0.67 117.98 118.91 1sje s PHE 26 Ca 0.01 -1.79 -0.14 0.00 -0.96 0.00 0.00 56.93 54.05 1sje s PHE 26 Cb -0.10 -1.65 0.12 0.00 -0.34 0.00 0.00 43.02 41.04 1sje s PHE 26 CO 0.01 -0.78 0.70 -0.25 -1.46 0.00 0.00 175.22 173.44 1sje n ASP 27 N 4.64 -2.64 0.00 6.13 8.00 -0.80 -0.56 116.55 131.31 1sje n ASP 27 Ca -0.13 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1sje n ASP 27 Cb 0.45 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.71 1sje n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sje n GLY 28 N -1.57 1.78 3.56 0.44 0.00 -1.26 -5.03 105.19 103.11 1sje n GLY 28 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1sje n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sje s ASP 29 N -3.12 5.17 0.23 1.61 1.01 0.27 -5.04 116.67 116.80 1sje s ASP 29 Ca 0.00 -0.03 -0.30 0.00 0.71 0.00 0.00 52.55 52.92 1sje s ASP 29 Cb 0.00 -1.86 -0.10 0.00 1.01 0.00 0.00 42.92 41.97 1sje s ASP 29 CO 0.00 0.17 1.49 -0.70 0.21 0.00 0.00 175.17 176.34 1sje s GLU 30 N 0.36 4.24 -0.17 8.23 2.12 -1.26 -0.07 118.70 132.15 1sje s GLU 30 Ca -0.01 2.35 -0.12 0.00 0.36 0.00 0.00 54.97 57.54 1sje s GLU 30 Cb -0.13 -3.11 -0.23 0.00 0.26 0.00 0.00 34.13 30.92 1sje s GLU 30 CO 0.02 -0.49 0.25 -0.89 -0.54 0.00 0.00 175.26 173.61 1sje n ILE 31 N 2.75 1.67 -3.64 -3.70 5.41 0.12 -4.58 119.36 117.39 1sje n ILE 31 Ca 0.09 -0.41 -0.01 0.00 1.00 0.00 0.00 62.75 63.42 1sje n ILE 31 Cb 0.39 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 1sje n ILE 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1sje s PHE 32 N -2.48 -0.09 0.20 1.39 -0.12 -1.23 -1.01 117.98 114.64 1sje s PHE 32 Ca -0.26 -0.06 -0.06 0.00 -0.05 0.00 0.00 56.93 56.50 1sje s PHE 32 Cb 0.07 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 1sje s PHE 32 CO 0.68 -0.41 0.25 -3.38 -0.05 0.00 0.00 175.22 172.31 1sje s HIS 33 N -2.67 0.77 -0.14 3.49 -3.43 -0.96 -1.29 115.29 111.06 1sje s HIS 33 Ca 0.13 -1.07 -0.03 0.00 -0.80 0.00 0.00 55.06 53.29 1sje s HIS 33 Cb 0.02 -0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 30.90 1sje s HIS 33 CO -0.03 -0.74 -0.03 0.08 -2.00 0.00 0.00 174.74 172.02 1sje s VAL 34 N -4.07 3.95 -0.49 -5.38 1.01 -0.39 -0.94 120.40 114.08 1sje s VAL 34 Ca 0.29 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 1sje s VAL 34 Cb 0.04 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1sje s VAL 34 CO 0.08 0.51 1.18 -0.62 0.00 0.00 0.00 175.10 176.25 1sje s ASP 35 N 0.15 6.57 0.57 3.32 -1.08 0.41 -4.65 116.67 121.95 1sje s ASP 35 Ca -0.01 0.43 0.35 0.00 -0.52 0.00 0.00 52.55 52.80 1sje s ASP 35 Cb -0.14 -2.55 1.57 0.00 -1.46 0.00 0.00 42.92 40.34 1sje s ASP 35 CO 0.03 -1.32 2.06 0.24 0.52 0.00 0.00 175.17 176.70 1sje h MET 36 N 9.45 0.00 0.03 4.34 2.86 -1.92 0.15 114.93 129.84 1sje h MET 36 Ca -0.24 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.16 1sje h MET 36 Cb 1.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1sje h MET 36 CO 1.14 0.02 -1.32 0.00 1.06 0.00 0.00 176.91 177.81 1sje h ALA 37 N 1.98 0.27 0.00 6.32 0.00 -1.96 -3.36 119.26 122.50 1sje h ALA 37 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1sje h ALA 37 Cb 0.41 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sje h ALA 37 CO 0.00 0.77 -0.16 1.63 0.00 0.00 0.00 179.25 181.49 1sje n LYS 38 N -4.24 0.16 -3.32 0.00 5.02 -1.23 -4.95 118.16 109.60 1sje n LYS 38 Ca -0.30 0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 55.92 1sje n LYS 38 Cb 0.75 -1.66 0.06 0.00 -0.02 0.00 0.00 35.03 34.17 1sje n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sje n LYS 39 N -1.92 -2.03 -3.68 1.97 5.02 0.51 -5.02 118.16 113.01 1sje n LYS 39 Ca 0.06 0.82 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1sje n LYS 39 Cb 0.39 -5.52 -0.05 0.00 -0.02 0.00 0.00 35.03 29.83 1sje n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1sje s GLU 40 N -4.63 1.01 0.02 1.97 -1.05 -1.03 -4.86 118.70 110.13 1sje s GLU 40 Ca 0.45 -0.71 -0.26 0.00 -0.15 0.00 0.00 54.97 54.29 1sje s GLU 40 Cb -0.08 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1sje s GLU 40 CO 0.76 -0.38 0.83 0.99 0.95 0.00 0.00 175.26 178.41 1sje s THR 41 N -3.65 4.81 -0.37 1.83 2.01 -1.26 -0.45 115.64 118.56 1sje s THR 41 Ca 0.02 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.79 1sje s THR 41 Cb 0.02 -4.17 0.10 0.00 0.01 0.00 0.00 72.50 68.46 1sje s THR 41 CO -0.11 0.28 0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 1sje s VAL 42 N 0.40 2.59 0.18 3.82 1.01 -0.12 -4.94 120.40 123.35 1sje s VAL 42 Ca 0.42 -2.29 -0.30 0.00 0.00 0.00 0.00 61.98 59.81 1sje s VAL 42 Cb -0.20 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.23 1sje s VAL 42 CO 0.24 -0.63 1.30 0.26 0.00 0.00 0.00 175.10 176.27 1sje s TRP 43 N 0.94 3.28 0.23 5.22 0.52 -1.26 -2.26 118.94 125.60 1sje s TRP 43 Ca 0.10 1.21 -0.07 0.00 0.02 0.00 0.00 56.10 57.36 1sje s TRP 43 Cb -0.20 -3.59 0.29 0.00 -1.15 0.00 0.00 33.47 28.82 1sje s TRP 43 CO -0.07 -1.85 1.83 -0.09 0.02 0.00 0.00 176.95 176.79 1sje h ARG 44 N 5.63 0.81 -4.98 4.98 9.65 -1.32 -3.38 114.38 125.77 1sje h ARG 44 Ca -0.44 -0.05 -0.64 0.00 -1.10 0.00 0.00 59.98 57.75 1sje h ARG 44 Cb 1.21 -0.18 -0.35 0.00 -1.39 0.00 0.00 29.97 29.27 1sje h ARG 44 CO 0.78 0.53 -0.85 -0.51 2.80 0.00 0.00 179.97 182.72 1sje s LEU 45 N -10.23 1.95 0.24 3.80 1.43 -1.26 -5.04 118.68 109.57 1sje s LEU 45 Ca -0.13 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1sje s LEU 45 Cb 0.17 -1.32 0.44 0.00 0.03 0.00 0.00 46.19 45.51 1sje s LEU 45 CO 0.78 0.03 1.30 1.21 0.23 0.00 0.00 176.35 179.89 1sje n GLU 46 N 4.32 -0.07 0.30 1.70 0.00 -1.26 -0.74 120.64 124.89 1sje n GLU 46 Ca -0.19 1.29 0.15 0.00 0.00 0.00 0.00 57.16 58.41 1sje n GLU 46 Cb 0.51 -1.95 0.92 0.00 0.00 0.00 0.00 31.44 30.92 1sje n GLU 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1sje h GLU 47 N 0.00 0.00 -0.59 5.31 9.09 -1.96 -2.21 114.58 124.22 1sje h GLU 47 Ca 0.42 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.88 1sje h GLU 47 Cb 0.71 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.76 1sje h GLU 47 CO -0.84 0.01 0.33 0.74 0.05 0.00 0.00 179.01 179.30 1sje h PHE 48 N 0.00 0.62 0.00 2.06 0.04 -1.34 -1.43 116.94 116.89 1sje h PHE 48 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1sje h PHE 48 Cb 0.03 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1sje h PHE 48 CO 0.00 0.32 0.00 0.41 -0.60 0.00 0.00 178.31 178.44 1sje n GLY 49 N -1.27 -0.43 0.00 -1.45 0.00 -0.83 -0.70 105.19 100.51 1sje n GLY 49 Ca 0.06 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1sje n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sje n ARG 50 N -1.42 0.04 -0.01 1.61 1.74 -0.54 -4.32 116.66 113.77 1sje n ARG 50 Ca 0.00 -0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.14 1sje n ARG 50 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1sje n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sje n PHE 51 N -1.55 0.00 -4.02 -1.55 3.72 0.12 -5.04 117.46 109.14 1sje n PHE 51 Ca 0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 1sje n PHE 51 Cb 0.35 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.52 1sje n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sje s ALA 52 N -2.97 -0.09 0.12 4.37 0.00 -0.87 -5.14 121.76 117.19 1sje s ALA 52 Ca -0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1sje s ALA 52 Cb 0.10 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.28 1sje s ALA 52 CO 0.61 -0.83 0.08 -1.54 0.00 0.00 0.00 175.76 174.08 1sje s SER 53 N -3.04 0.29 -0.13 0.00 1.04 -1.26 -4.49 113.70 106.11 1sje s SER 53 Ca 0.24 -1.07 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 1sje s SER 53 Cb -0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1sje s SER 53 CO 0.10 -0.73 0.32 0.12 0.98 0.00 0.00 173.24 174.03 1sje s PHE 54 N -4.00 -0.43 -0.65 5.02 5.36 -1.26 -5.11 117.98 116.92 1sje s PHE 54 Ca 0.18 0.98 -0.26 0.00 -0.96 0.00 0.00 56.93 56.87 1sje s PHE 54 Cb 0.07 0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.92 1sje s PHE 54 CO -0.02 -0.27 1.16 -1.21 -1.46 0.00 0.00 175.22 173.43 1sje s GLU 55 N 1.16 3.30 0.48 10.12 2.02 -1.26 -4.74 118.70 129.79 1sje s GLU 55 Ca -0.08 -0.16 0.22 0.00 0.02 0.00 0.00 54.97 54.96 1sje s GLU 55 Cb -0.09 -4.11 1.24 0.00 0.10 0.00 0.00 34.13 31.27 1sje s GLU 55 CO -0.09 -1.86 1.92 0.00 0.02 0.00 0.00 175.26 175.26 1sje h ALA 56 N 9.71 2.38 -0.18 5.21 0.00 -1.93 -0.94 119.26 133.51 1sje h ALA 56 Ca -0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1sje h ALA 56 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1sje h ALA 56 CO 1.21 -0.60 0.18 -0.56 0.00 0.00 0.00 179.25 179.48 1sje h GLN 57 N 0.21 0.00 -0.22 0.00 -0.00 -1.90 -0.73 115.11 112.48 1sje h GLN 57 Ca 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.95 1sje h GLN 57 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.58 1sje h GLN 57 CO -0.07 0.00 -0.16 0.78 -0.00 0.00 0.00 178.83 179.38 1sje h GLY 58 N 0.00 0.40 1.29 0.06 0.00 -1.58 -1.88 103.07 101.36 1sje h GLY 58 Ca 0.08 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1sje h GLY 58 CO -0.00 0.25 -0.52 0.00 0.00 0.00 0.00 176.54 176.27 1sje h ALA 59 N 1.50 0.58 -0.13 3.60 0.00 -1.29 -2.69 119.26 120.83 1sje h ALA 59 Ca 0.06 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1sje h ALA 59 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sje h ALA 59 CO 0.03 0.68 -0.23 -0.07 0.00 0.00 0.00 179.25 179.66 1sje h LEU 60 N 0.59 0.22 -0.10 0.00 -0.00 -1.33 0.13 115.31 114.81 1sje h LEU 60 Ca 0.02 -0.06 -0.10 0.00 -0.00 0.00 0.00 57.88 57.73 1sje h LEU 60 Cb 1.10 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1sje h LEU 60 CO 0.11 0.46 -0.34 0.00 -0.00 0.00 0.00 178.44 178.67 1sje h ALA 61 N 1.56 0.18 -0.17 1.53 0.00 -1.31 -3.04 119.26 118.01 1sje h ALA 61 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sje h ALA 61 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sje h ALA 61 CO 0.04 0.25 0.11 -0.91 0.00 0.00 0.00 179.25 178.73 1sje h ASN 62 N -0.02 0.21 -0.36 0.00 4.21 -1.22 -2.76 115.58 115.64 1sje h ASN 62 Ca -0.01 -0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.51 1sje h ASN 62 Cb 0.97 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.10 1sje h ASN 62 CO 0.07 0.19 0.24 -0.29 -1.29 0.00 0.00 177.43 176.36 1sje h ILE 63 N 0.21 0.95 -0.42 2.81 6.09 -1.04 0.15 117.51 126.26 1sje h ILE 63 Ca 0.06 -0.09 -0.14 0.00 -1.37 0.00 0.00 64.86 63.32 1sje h ILE 63 Cb 0.02 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 37.97 1sje h ILE 63 CO -0.01 0.05 -0.29 0.00 -3.07 0.00 0.00 178.15 174.82 1sje h ALA 64 N 1.81 0.69 -0.48 0.18 0.00 -1.37 -1.51 119.26 118.57 1sje h ALA 64 Ca 0.16 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1sje h ALA 64 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sje h ALA 64 CO -0.03 0.67 -0.22 0.28 0.00 0.00 0.00 179.25 179.95 1sje h VAL 65 N 0.77 1.27 -0.70 0.00 2.07 -0.87 -2.64 116.25 116.15 1sje h VAL 65 Ca 0.09 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1sje h VAL 65 Cb 0.86 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1sje h VAL 65 CO 0.08 0.48 0.47 0.44 0.02 0.00 0.00 177.57 179.05 1sje h ASP 66 N 0.84 0.80 -0.04 0.57 3.32 -0.54 -0.70 116.42 120.67 1sje h ASP 66 Ca 0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1sje h ASP 66 Cb 0.80 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1sje h ASP 66 CO 0.07 0.58 -0.04 0.50 -1.72 0.00 0.00 179.24 178.62 1sje h LYS 67 N 0.95 0.10 -0.84 3.56 3.64 -1.12 -0.51 116.57 122.35 1sje h LYS 67 Ca 0.26 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.72 1sje h LYS 67 Cb -0.10 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.64 1sje h LYS 67 CO -0.06 0.56 0.45 0.00 -2.27 0.00 0.00 179.45 178.13 1sje h ALA 68 N 0.55 1.25 -0.53 5.00 0.00 -1.17 0.40 119.26 124.76 1sje h ALA 68 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1sje h ALA 68 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sje h ALA 68 CO 0.01 -0.03 -0.09 -0.91 0.00 0.00 0.00 179.25 178.23 1sje h ASN 69 N 0.68 0.97 -0.94 0.00 2.35 -0.99 -2.31 115.58 115.33 1sje h ASN 69 Ca 0.45 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1sje h ASN 69 Cb 0.57 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 1sje h ASN 69 CO -0.33 1.07 0.61 0.25 -1.65 0.00 0.00 177.43 177.38 1sje h LEU 70 N 0.87 1.01 -0.34 1.61 5.85 0.73 -0.65 115.31 124.38 1sje h LEU 70 Ca 0.14 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1sje h LEU 70 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1sje h LEU 70 CO 0.04 0.68 0.15 -0.33 -0.34 0.00 0.00 178.44 178.64 1sje h GLU 71 N 1.17 0.49 -0.27 1.25 4.39 -0.88 0.69 114.58 121.42 1sje h GLU 71 Ca 0.38 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1sje h GLU 71 Cb 0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1sje h GLU 71 CO -0.13 0.47 0.16 0.82 -1.16 0.00 0.00 179.01 179.18 1sje h ILE 72 N 0.40 1.10 -0.47 3.13 1.08 -0.87 -2.42 117.51 119.46 1sje h ILE 72 Ca 0.11 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1sje h ILE 72 Cb 0.15 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1sje h ILE 72 CO -0.01 0.10 -0.10 -0.03 -0.69 0.00 0.00 178.15 177.42 1sje h MET 73 N 0.35 0.90 -0.22 2.37 4.05 -1.01 0.45 114.93 121.82 1sje h MET 73 Ca 0.10 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.22 1sje h MET 73 Cb 0.01 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 1sje h MET 73 CO -0.02 0.98 -0.03 1.15 0.23 0.00 0.00 176.91 179.22 1sje h THR 74 N 0.74 0.81 -0.31 -0.77 2.02 -0.77 -0.74 112.91 113.89 1sje h THR 74 Ca 0.12 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 1sje h THR 74 Cb 0.64 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1sje h THR 74 CO 0.04 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 176.29 1sje h LYS 75 N 0.03 0.54 0.00 6.66 3.64 -1.29 0.31 116.57 126.46 1sje h LYS 75 Ca 0.10 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1sje h LYS 75 Cb 0.15 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1sje h LYS 75 CO -0.20 0.68 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.37 1sje h ARG 76 N 0.50 0.00 -0.43 1.90 2.43 0.15 -2.55 114.38 116.37 1sje h ARG 76 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1sje h ARG 76 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1sje h ARG 76 CO 0.04 0.19 0.00 -1.13 -1.51 0.00 0.00 179.97 177.56 1sje n SER 77 N -3.42 2.74 -3.03 -3.80 3.41 -0.39 -4.90 113.62 104.22 1sje n SER 77 Ca -0.00 -1.94 -0.15 0.00 -0.26 0.00 0.00 58.87 56.51 1sje n SER 77 Cb 0.38 -0.29 0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1sje n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sje n ASN 78 N 1.00 -2.64 -3.98 4.04 4.13 -0.96 -3.27 115.26 113.58 1sje n ASN 78 Ca 0.18 -0.51 -0.27 0.00 1.68 0.00 0.00 54.58 55.66 1sje n ASN 78 Cb 0.46 -4.34 -0.02 0.00 -1.54 0.00 0.00 39.78 34.34 1sje n ASN 78 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sje n TYR 79 N -3.77 -1.70 -2.57 3.10 4.02 0.08 -4.89 117.16 111.43 1sje n TYR 79 Ca -0.20 0.77 -0.43 0.00 -0.01 0.00 0.00 57.90 58.03 1sje n TYR 79 Cb 0.63 -3.66 -0.02 0.00 -0.02 0.00 0.00 39.34 36.27 1sje n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1sje s THR 80 N -3.82 4.19 0.67 -0.72 2.01 -1.20 -5.01 115.64 111.76 1sje s THR 80 Ca 0.15 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.26 1sje s THR 80 Cb -0.08 -4.54 -0.00 0.00 0.01 0.00 0.00 72.50 67.89 1sje s THR 80 CO 0.89 -0.93 1.06 -2.16 -0.69 0.00 0.00 174.62 172.79 1sje s PRO 81 N 4.45 3.03 0.47 4.92 0.04 -1.26 -5.02 135.00 141.62 1sje s PRO 81 Ca 0.49 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1sje s PRO 81 Cb -0.08 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1sje s PRO 81 CO 0.30 -1.03 1.06 -1.50 0.04 0.00 0.00 177.00 175.88 1sje s ILE 82 N -2.93 3.66 -0.23 0.56 2.07 -1.26 -5.02 121.20 118.05 1sje s ILE 82 Ca 0.59 1.10 -0.20 0.00 -1.41 0.00 0.00 60.65 60.73 1sje s ILE 82 Cb -0.14 -3.49 -0.02 0.00 0.13 0.00 0.00 42.46 38.94 1sje s ILE 82 CO 0.51 -0.15 0.62 -0.89 -1.91 0.00 0.00 174.94 173.12 1sje s THR 83 N -1.85 5.01 0.17 4.00 2.01 -1.26 -5.02 115.64 118.70 1sje s THR 83 Ca 0.65 1.13 -0.32 0.00 0.31 0.00 0.00 61.69 63.47 1sje s THR 83 Cb -0.19 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 1sje s THR 83 CO 0.24 0.07 1.57 0.20 -0.69 0.00 0.00 174.62 176.01 1sje s ASN 84 N 1.34 6.58 -0.25 3.53 0.01 -1.26 -4.70 114.94 120.18 1sje s ASN 84 Ca 0.27 2.63 0.02 0.00 -0.71 0.00 0.00 52.86 55.07 1sje s ASN 84 Cb -0.16 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 38.97 1sje s ASN 84 CO 0.09 -0.83 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.06 1sje s VAL 85 N 1.09 2.04 0.49 1.60 1.01 0.71 -4.83 120.40 122.51 1sje s VAL 85 Ca 0.70 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1sje s VAL 85 Cb -0.44 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 1sje s VAL 85 CO 0.32 -0.02 1.32 -2.16 0.00 0.00 0.00 175.10 174.55 1sje s PRO 86 N 1.17 3.49 0.51 2.72 0.04 -1.26 -1.85 135.00 139.81 1sje s PRO 86 Ca -0.08 2.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 1sje s PRO 86 Cb -0.20 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 1sje s PRO 86 CO -0.05 -0.88 1.01 -1.25 0.04 0.00 0.00 177.00 175.87 1sje s PRO 87 N -2.68 3.78 -0.21 0.56 0.04 -1.26 -4.57 135.00 130.66 1sje s PRO 87 Ca 0.66 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1sje s PRO 87 Cb -0.38 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1sje s PRO 87 CO 0.47 -0.42 0.31 -1.21 0.04 0.00 0.00 177.00 176.18 1sje s GLU 88 N -3.67 4.15 -0.11 4.56 2.02 0.05 -4.90 118.70 120.80 1sje s GLU 88 Ca 0.63 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.67 1sje s GLU 88 Cb -0.13 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 1sje s GLU 88 CO 0.26 0.02 -0.16 0.08 0.02 0.00 0.00 175.26 175.48 1sje s VAL 89 N 1.15 2.82 -0.02 2.63 1.01 -1.26 -1.36 120.40 125.38 1sje s VAL 89 Ca 0.15 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1sje s VAL 89 Cb -0.14 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1sje s VAL 89 CO 0.06 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.72 1sje s THR 90 N 0.15 0.81 -0.11 3.92 2.01 -0.57 -4.99 115.64 116.87 1sje s THR 90 Ca -0.08 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1sje s THR 90 Cb -0.15 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1sje s THR 90 CO 0.05 0.24 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 1sje s VAL 91 N -0.08 3.03 0.17 3.82 1.01 -1.26 -0.18 120.40 126.91 1sje s VAL 91 Ca 0.01 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1sje s VAL 91 Cb -0.06 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1sje s VAL 91 CO -0.00 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.29 1sje s LEU 92 N 0.10 0.50 0.03 3.92 1.43 -0.22 -4.98 118.68 119.46 1sje s LEU 92 Ca -0.06 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1sje s LEU 92 Cb -0.15 1.71 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1sje s LEU 92 CO 0.05 -0.96 0.22 0.42 0.23 0.00 0.00 176.35 176.31 1sje s THR 93 N -3.90 5.38 -0.13 5.49 -4.23 -1.26 0.14 115.64 117.14 1sje s THR 93 Ca 0.11 -0.18 0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1sje s THR 93 Cb 0.01 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.57 1sje s THR 93 CO -0.03 0.24 1.85 -0.55 -0.54 0.00 0.00 174.62 175.59 1sje h ASN 94 N 3.50 0.00 -5.14 3.99 7.08 -1.73 -3.45 115.58 119.84 1sje h ASN 94 Ca -0.47 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 52.69 1sje h ASN 94 Cb 1.18 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 37.30 1sje h ASN 94 CO 0.71 0.00 -0.13 -0.94 -2.08 0.00 0.00 177.43 175.00 1sje s SER 95 N -4.62 -0.14 0.23 6.14 1.04 -1.26 -5.08 113.70 110.02 1sje s SER 95 Ca 0.01 -0.58 -0.31 0.00 0.48 0.00 0.00 55.95 55.55 1sje s SER 95 Cb 0.09 0.50 -0.14 0.00 0.10 0.00 0.00 66.02 66.56 1sje s SER 95 CO 0.38 -0.94 1.17 -0.81 0.98 0.00 0.00 173.24 174.02 1sje n PRO 96 N -0.26 1.46 -3.23 4.02 -0.04 -1.26 -4.92 135.00 130.77 1sje n PRO 96 Ca -0.11 0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 63.48 1sje n PRO 96 Cb 0.63 -2.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1sje n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sje s VAL 97 N -0.48 4.82 -0.01 0.52 0.11 -1.26 -5.08 120.40 119.03 1sje s VAL 97 Ca 0.67 1.24 0.02 0.00 -2.93 0.00 0.00 61.98 60.97 1sje s VAL 97 Cb -0.75 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.18 1sje s VAL 97 CO 0.55 0.48 -0.07 -1.61 -3.33 0.00 0.00 175.10 171.12 1sje s GLU 98 N -0.62 0.61 0.34 1.54 0.41 -1.26 -4.99 118.70 114.73 1sje s GLU 98 Ca 0.30 -0.24 -0.27 0.00 -0.41 0.00 0.00 54.97 54.35 1sje s GLU 98 Cb -0.19 -0.59 -0.13 0.00 -1.78 0.00 0.00 34.13 31.44 1sje s GLU 98 CO 0.18 0.13 1.04 1.28 -0.49 0.00 0.00 175.26 177.40 1sje n LEU 99 N 3.01 2.22 -0.18 1.80 4.77 -1.26 -1.75 117.00 125.61 1sje n LEU 99 Ca -0.14 1.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.95 1sje n LEU 99 Cb 0.57 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 1sje n LEU 99 CO 0.25 -1.33 -0.02 0.54 -1.33 0.00 0.00 177.39 175.50 1sje n ARG 100 N 0.53 -1.90 -3.51 3.23 1.74 -0.97 -4.91 116.66 110.87 1sje n ARG 100 Ca 0.09 0.36 -0.40 0.00 -0.77 0.00 0.00 57.85 57.13 1sje n ARG 100 Cb 0.35 -4.14 -0.10 0.00 -1.02 0.00 0.00 32.46 27.55 1sje n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1sje s GLU 101 N -1.45 3.62 0.20 5.56 -6.30 -0.72 -4.88 118.70 114.73 1sje s GLU 101 Ca 0.00 -0.50 -0.30 0.00 -2.50 0.00 0.00 54.97 51.67 1sje s GLU 101 Cb 0.00 -3.77 -0.16 0.00 0.00 0.00 0.00 34.13 30.20 1sje s GLU 101 CO 0.00 -0.40 0.83 -2.30 0.02 0.00 0.00 175.26 173.41 1sje n PRO 102 N 5.17 0.59 -2.59 4.30 -0.02 -1.26 -4.26 135.00 136.93 1sje n PRO 102 Ca -0.12 0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1sje n PRO 102 Cb 0.50 -1.45 -0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1sje n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sje n ASN 103 N 1.74 -0.93 -3.73 2.55 2.85 -0.52 -5.00 115.26 112.21 1sje n ASN 103 Ca 0.15 -1.88 -0.15 0.00 -0.11 0.00 0.00 54.58 52.59 1sje n ASN 103 Cb 0.25 1.61 -0.15 0.00 1.24 0.00 0.00 39.78 42.73 1sje n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1sje s VAL 104 N -2.59 -0.10 0.04 3.44 1.01 -1.26 -1.17 120.40 119.77 1sje s VAL 104 Ca 0.11 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 1sje s VAL 104 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1sje s VAL 104 CO 0.08 0.10 0.79 -0.76 0.00 0.00 0.00 175.10 175.32 1sje s LEU 105 N 1.44 4.43 -0.13 3.92 1.43 0.15 -1.81 118.68 128.11 1sje s LEU 105 Ca -0.06 1.47 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1sje s LEU 105 Cb -0.12 -3.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1sje s LEU 105 CO -0.05 -0.03 -0.18 -0.63 0.23 0.00 0.00 176.35 175.69 1sje s ILE 106 N 0.12 2.46 -0.36 -0.59 1.01 0.38 -0.58 121.20 123.64 1sje s ILE 106 Ca 0.40 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 1sje s ILE 106 Cb -0.20 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.30 1sje s ILE 106 CO 0.23 0.53 0.16 0.00 0.00 0.00 0.00 174.94 175.87 1sje s PHE 108 N 1.46 3.17 -0.32 0.00 5.36 0.75 -2.13 117.98 126.27 1sje s PHE 108 Ca 0.00 -0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 55.78 1sje s PHE 108 Cb -0.20 -2.92 0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1sje s PHE 108 CO 0.04 -0.62 0.14 0.42 -1.46 0.00 0.00 175.22 173.74 1sje s ILE 109 N 2.28 4.39 0.17 3.12 1.01 -0.47 -1.51 121.20 130.18 1sje s ILE 109 Ca 0.15 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1sje s ILE 109 Cb -0.16 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1sje s ILE 109 CO 0.14 0.00 -0.02 -0.62 0.00 0.00 0.00 174.94 174.44 1sje s ASP 110 N 1.56 1.35 -1.23 3.58 2.15 -0.46 -0.39 116.67 123.23 1sje s ASP 110 Ca 0.03 -1.13 -0.05 0.00 0.43 0.00 0.00 52.55 51.83 1sje s ASP 110 Cb -0.18 0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.52 1sje s ASP 110 CO 0.05 -0.52 0.76 0.29 -0.17 0.00 0.00 175.17 175.59 1sje n LYS 111 N -0.23 -3.92 -4.13 4.34 5.02 -0.59 -0.77 118.16 117.87 1sje n LYS 111 Ca -0.08 0.64 -0.09 0.00 -2.02 0.00 0.00 58.31 56.77 1sje n LYS 111 Cb 0.63 -5.12 -0.10 0.00 -0.02 0.00 0.00 35.03 30.42 1sje n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1sje s PHE 112 N -3.57 0.73 -0.19 2.13 -0.12 -1.14 -4.31 117.98 111.51 1sje s PHE 112 Ca 0.16 -1.10 -0.29 0.00 -0.05 0.00 0.00 56.93 55.65 1sje s PHE 112 Cb -0.04 -0.46 0.13 0.00 -0.63 0.00 0.00 43.02 42.02 1sje s PHE 112 CO 0.81 -0.38 1.02 -0.08 -0.05 0.00 0.00 175.22 176.54 1sje s THR 113 N -3.90 0.00 0.86 -4.49 -1.32 -0.77 -0.65 115.64 105.37 1sje s THR 113 Ca 0.14 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.51 1sje s THR 113 Cb 0.07 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.17 1sje s THR 113 CO -0.04 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.30 1sje s PRO 114 N -0.82 1.57 -0.89 7.08 0.04 -1.26 -0.21 135.00 140.51 1sje s PRO 114 Ca -0.00 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 61.72 1sje s PRO 114 Cb -0.01 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 1sje s PRO 114 CO -0.00 -2.04 1.96 -0.35 0.04 0.00 0.00 177.00 176.60 1sje n PRO 115 N -3.76 1.69 -3.67 0.56 -0.04 -1.26 -4.78 135.00 123.74 1sje n PRO 115 Ca 0.07 -2.01 -0.09 0.00 -0.04 0.00 0.00 63.50 61.44 1sje n PRO 115 Cb 0.55 -3.04 -0.09 0.00 -0.04 0.00 0.00 33.50 30.87 1sje n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sje s VAL 116 N 5.34 -0.42 0.05 0.52 1.01 -1.26 -5.05 120.40 120.59 1sje s VAL 116 Ca 0.57 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1sje s VAL 116 Cb 0.13 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1sje s VAL 116 CO 0.10 0.05 0.35 0.68 0.00 0.00 0.00 175.10 176.28 1sje s VAL 117 N 2.17 0.07 -0.21 2.92 -7.23 -1.26 -4.75 120.40 112.10 1sje s VAL 117 Ca -0.05 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 1sje s VAL 117 Cb -0.10 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.91 1sje s VAL 117 CO -0.14 -0.32 -0.16 0.21 -0.31 0.00 0.00 175.10 174.38 1sje s ASN 118 N -2.09 3.57 -0.07 4.85 2.47 -0.86 -4.98 114.94 117.84 1sje s ASN 118 Ca -0.05 -0.86 0.05 0.00 0.42 0.00 0.00 52.86 52.43 1sje s ASN 118 Cb -0.01 -1.51 -0.01 0.00 -1.45 0.00 0.00 41.25 38.27 1sje s ASN 118 CO -0.03 -0.06 -0.24 -0.69 -3.72 0.00 0.00 177.10 172.36 1sje s VAL 119 N 1.25 1.99 0.02 -5.21 1.01 -1.26 -1.03 120.40 117.17 1sje s VAL 119 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1sje s VAL 119 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1sje s VAL 119 CO -0.10 0.55 -0.03 0.42 0.00 0.00 0.00 175.10 175.94 1sje s THR 120 N 0.08 0.17 0.09 3.92 -4.23 -0.70 -4.99 115.64 109.97 1sje s THR 120 Ca -0.10 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1sje s THR 120 Cb -0.15 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 1sje s THR 120 CO 0.06 -0.31 0.23 0.26 -0.54 0.00 0.00 174.62 174.31 1sje s TRP 121 N -0.98 3.48 -0.08 3.99 0.52 -1.26 -0.29 118.94 124.32 1sje s TRP 121 Ca -0.10 0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.20 1sje s TRP 121 Cb -0.07 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1sje s TRP 121 CO -0.00 0.56 -0.02 -0.51 0.02 0.00 0.00 176.95 177.00 1sje s LEU 122 N -2.75 0.74 -0.40 2.99 1.43 -0.06 -1.24 118.68 119.39 1sje s LEU 122 Ca 0.34 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1sje s LEU 122 Cb -0.12 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.61 1sje s LEU 122 CO 0.28 -0.17 0.25 -0.60 0.23 0.00 0.00 176.35 176.34 1sje s ARG 123 N 1.89 2.79 -1.24 1.70 3.52 0.15 -1.32 118.95 126.45 1sje s ARG 123 Ca 0.05 -1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 54.43 1sje s ARG 123 Cb -0.12 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1sje s ARG 123 CO -0.06 -0.81 0.96 0.09 -0.81 0.00 0.00 175.30 174.67 1sje n ASN 124 N 5.02 -2.28 0.00 -2.12 3.02 0.50 -2.32 115.26 117.08 1sje n ASN 124 Ca -0.11 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1sje n ASN 124 Cb 0.45 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1sje n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sje n GLY 125 N -1.28 0.60 3.40 7.41 0.00 -1.26 -5.00 105.19 109.05 1sje n GLY 125 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1sje n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sje s LYS 126 N -0.40 1.94 0.25 1.61 1.02 -0.98 -5.03 119.74 118.14 1sje s LYS 126 Ca 0.00 -1.05 -0.31 0.00 0.02 0.00 0.00 55.97 54.63 1sje s LYS 126 Cb 0.00 -2.09 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 1sje s LYS 126 CO 0.00 0.53 1.67 -0.35 -0.92 0.00 0.00 175.35 176.27 1sje n PRO 127 N 1.66 2.74 -4.58 -1.68 -0.04 -1.26 0.33 135.00 132.17 1sje n PRO 127 Ca -0.17 0.98 -0.34 0.00 -0.04 0.00 0.00 63.50 63.94 1sje n PRO 127 Cb 0.52 -2.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.06 1sje n PRO 127 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sje s VAL 128 N 0.64 3.68 0.00 0.52 1.01 -0.37 -4.82 120.40 121.06 1sje s VAL 128 Ca 0.70 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1sje s VAL 128 Cb -0.50 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1sje s VAL 128 CO 0.40 0.56 0.00 0.41 0.00 0.00 0.00 175.10 176.47 1sje n THR 129 N 2.74 0.00 -1.74 3.92 -1.04 -1.26 -4.40 114.28 112.50 1sje n THR 129 Ca -0.18 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1sje n THR 129 Cb 0.53 -0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 1sje n THR 129 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sje s THR 130 N -1.64 2.90 0.00 12.58 -4.23 -1.26 -3.18 115.64 120.81 1sje s THR 130 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1sje s THR 130 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1sje s THR 130 CO 0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1sje n GLY 131 N 4.35 0.28 3.79 3.99 0.00 -1.26 -4.75 105.19 111.58 1sje n GLY 131 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1sje n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sje s VAL 132 N -1.72 3.92 0.20 1.61 -7.23 -1.19 -4.32 120.40 111.66 1sje s VAL 132 Ca 0.00 1.44 -0.04 0.00 -1.81 0.00 0.00 61.98 61.57 1sje s VAL 132 Cb 0.00 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1sje s VAL 132 CO 0.00 -0.02 0.20 -0.94 -0.31 0.00 0.00 175.10 174.03 1sje s SER 133 N -1.68 0.11 0.18 4.85 1.04 -0.95 -4.99 113.70 112.26 1sje s SER 133 Ca 0.57 -1.25 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 1sje s SER 133 Cb -0.19 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1sje s SER 133 CO 0.24 -0.90 0.46 -1.83 0.98 0.00 0.00 173.24 172.20 1sje s GLU 134 N -4.11 1.30 0.51 4.02 -1.05 -1.26 -0.06 118.70 118.05 1sje s GLU 134 Ca 0.33 -0.90 0.07 0.00 -0.15 0.00 0.00 54.97 54.32 1sje s GLU 134 Cb 0.05 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.26 1sje s GLU 134 CO 0.10 -0.54 0.50 0.95 0.95 0.00 0.00 175.26 177.23 1sje s THR 135 N -3.88 2.12 0.76 1.83 -4.23 -0.07 -5.00 115.64 107.17 1sje s THR 135 Ca 0.10 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1sje s THR 135 Cb 0.00 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.56 1sje s THR 135 CO -0.03 0.00 1.05 0.68 -0.54 0.00 0.00 174.62 175.78 1sje s VAL 136 N -2.64 2.10 0.00 2.29 -7.23 -1.26 -4.68 120.40 108.97 1sje s VAL 136 Ca 0.46 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 1sje s VAL 136 Cb -0.04 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1sje s VAL 136 CO 0.28 0.00 1.35 -0.36 -0.31 0.00 0.00 175.10 176.06 1sje s PHE 137 N -3.27 2.97 0.01 2.82 0.08 -1.26 -4.68 117.98 114.64 1sje s PHE 137 Ca 0.68 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 58.64 1sje s PHE 137 Cb -0.05 -3.61 -0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1sje s PHE 137 CO 0.46 -2.17 0.14 -0.51 -0.10 0.00 0.00 175.22 173.04 1sje s LEU 138 N 2.21 4.17 0.58 -0.37 1.43 0.04 -4.92 118.68 121.82 1sje s LEU 138 Ca 0.62 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.81 1sje s LEU 138 Cb -0.30 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1sje s LEU 138 CO 0.26 0.25 1.05 -2.16 0.23 0.00 0.00 176.35 175.98 1sje s PRO 139 N -1.97 3.39 0.07 1.29 0.04 -1.26 -1.30 135.00 135.27 1sje s PRO 139 Ca 0.27 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1sje s PRO 139 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1sje s PRO 139 CO 0.18 -0.75 -0.12 1.03 0.04 0.00 0.00 177.00 177.38 1sje s ARG 140 N -4.06 0.77 0.40 4.56 0.52 -1.13 -4.79 118.95 115.23 1sje s ARG 140 Ca 0.63 -0.98 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1sje s ARG 140 Cb -0.15 -0.63 0.86 0.00 0.52 0.00 0.00 34.95 35.55 1sje s ARG 140 CO 0.36 0.12 2.02 1.49 0.02 0.00 0.00 175.30 179.32 1sje h GLU 141 N 4.09 0.56 0.00 3.54 4.22 -1.99 0.88 114.58 125.88 1sje h GLU 141 Ca -0.39 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1sje h GLU 141 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1sje h GLU 141 CO 0.44 0.37 0.00 -0.40 -2.18 0.00 0.00 179.01 177.24 1sje n ASP 142 N -4.47 0.00 -0.17 1.04 5.68 -1.26 -4.87 116.55 112.50 1sje n ASP 142 Ca 0.06 -1.19 -0.02 0.00 -0.50 0.00 0.00 54.79 53.14 1sje n ASP 142 Cb 0.15 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 1sje n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1sje n HIS 143 N -0.84 0.00 -2.42 2.11 8.25 0.30 -5.03 115.22 117.59 1sje n HIS 143 Ca 0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.60 1sje n HIS 143 Cb 0.07 -0.88 0.01 0.00 1.12 0.00 0.00 29.99 30.30 1sje n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sje n LEU 144 N -0.25 0.00 -4.42 2.41 4.77 -1.26 -4.87 117.00 113.38 1sje n LEU 144 Ca -0.02 -0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 1sje n LEU 144 Cb 0.17 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1sje n LEU 144 CO 0.03 -0.53 -0.32 -0.36 -1.33 0.00 0.00 177.39 174.89 1sje s PHE 145 N 0.21 1.87 0.18 -1.77 0.40 0.18 -2.84 117.98 116.21 1sje s PHE 145 Ca 0.04 -0.86 0.05 0.00 -0.60 0.00 0.00 56.93 55.56 1sje s PHE 145 Cb -0.00 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 1sje s PHE 145 CO 0.03 0.09 -0.09 1.03 0.70 0.00 0.00 175.22 176.98 1sje s ARG 146 N -3.83 1.19 -0.17 0.44 0.52 -0.42 -1.54 118.95 115.14 1sje s ARG 146 Ca 0.32 -1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 1sje s ARG 146 Cb 0.06 -0.74 0.11 0.00 0.52 0.00 0.00 34.95 34.90 1sje s ARG 146 CO 0.13 0.06 0.90 0.21 0.02 0.00 0.00 175.30 176.62 1sje s LYS 147 N -3.75 0.71 -0.03 3.54 2.20 0.48 -0.78 119.74 122.11 1sje s LYS 147 Ca 0.21 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.23 1sje s LYS 147 Cb 0.03 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1sje s LYS 147 CO 0.04 -0.18 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.60 1sje s PHE 148 N -0.67 1.77 -0.04 4.03 0.40 -1.26 -1.37 117.98 120.84 1sje s PHE 148 Ca -0.03 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1sje s PHE 148 Cb -0.02 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 1sje s PHE 148 CO 0.02 -0.11 -0.21 -1.01 0.70 0.00 0.00 175.22 174.61 1sje s HIS 149 N -0.20 1.99 0.14 0.36 3.76 -0.90 -0.90 115.29 119.54 1sje s HIS 149 Ca 0.01 -0.52 0.11 0.00 -0.15 0.00 0.00 55.06 54.51 1sje s HIS 149 Cb -0.10 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1sje s HIS 149 CO 0.01 -0.14 -0.25 0.71 -0.85 0.00 0.00 174.74 174.22 1sje s TYR 150 N -0.18 2.20 -0.21 1.40 1.51 0.92 -0.85 117.35 122.13 1sje s TYR 150 Ca -0.00 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1sje s TYR 150 Cb -0.11 -1.17 0.08 0.00 -0.11 0.00 0.00 41.96 40.65 1sje s TYR 150 CO 0.02 0.35 0.14 -1.17 -1.11 0.00 0.00 175.55 173.78 1sje s LEU 151 N -2.20 0.25 0.19 -1.29 2.96 0.25 -2.23 118.68 116.62 1sje s LEU 151 Ca 0.14 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 1sje s LEU 151 Cb -0.09 -0.08 -0.08 0.00 0.50 0.00 0.00 46.19 46.44 1sje s LEU 151 CO 0.07 -0.37 1.19 -2.84 -1.32 0.00 0.00 176.35 173.07 1sje s PRO 152 N 2.19 4.50 0.30 0.98 0.02 -1.26 0.29 135.00 142.02 1sje s PRO 152 Ca 0.05 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1sje s PRO 152 Cb -0.16 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1sje s PRO 152 CO -0.18 -0.07 0.54 -0.59 -0.33 0.00 0.00 177.00 176.36 1sje s PHE 153 N -0.11 0.50 -0.28 6.54 -0.71 -0.31 -4.92 117.98 118.70 1sje s PHE 153 Ca 0.52 -0.87 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 1sje s PHE 153 Cb -0.32 0.23 0.07 0.00 -1.21 0.00 0.00 43.02 41.79 1sje s PHE 153 CO 0.37 -1.13 -0.08 -1.17 -1.34 0.00 0.00 175.22 171.87 1sje s LEU 154 N -3.08 3.70 0.67 -1.99 2.96 -1.26 -1.44 118.68 118.23 1sje s LEU 154 Ca 0.23 -1.51 -0.17 0.00 -0.22 0.00 0.00 54.13 52.46 1sje s LEU 154 Cb -0.02 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1sje s LEU 154 CO 0.12 -0.23 0.60 -2.65 -1.32 0.00 0.00 176.35 172.88 1sje n PRO 155 N 4.42 0.43 -3.60 0.98 -0.02 -1.26 -4.80 135.00 131.14 1sje n PRO 155 Ca -0.11 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.49 1sje n PRO 155 Cb 0.42 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1sje n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sje s SER 156 N -1.38 -0.20 0.00 2.55 1.04 -1.26 -2.29 113.70 112.16 1sje s SER 156 Ca 0.68 0.18 0.26 0.00 0.48 0.00 0.00 55.95 57.55 1sje s SER 156 Cb -0.38 0.17 1.56 0.00 0.10 0.00 0.00 66.02 67.47 1sje s SER 156 CO 0.55 -0.21 1.92 0.35 0.98 0.00 0.00 173.24 176.83 1sje n THR 157 N 0.49 0.01 -0.09 2.02 -2.24 -1.26 -3.43 114.28 109.77 1sje n THR 157 Ca -0.04 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 1sje n THR 157 Cb 0.58 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 68.09 1sje n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sje n GLU 158 N -1.01 0.68 -2.93 -0.78 1.02 -1.26 -4.95 120.64 111.42 1sje n GLU 158 Ca 0.19 0.16 -0.40 0.00 -0.02 0.00 0.00 57.16 57.10 1sje n GLU 158 Cb 0.09 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 1sje n GLU 158 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sje s ASP 159 N -6.50 7.39 0.01 1.62 1.01 -1.22 -5.00 116.67 113.98 1sje s ASP 159 Ca -0.28 1.65 0.05 0.00 0.71 0.00 0.00 52.55 54.68 1sje s ASP 159 Cb 0.08 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 1sje s ASP 159 CO 0.68 0.12 -0.15 0.68 0.21 0.00 0.00 175.17 176.71 1sje s VAL 160 N -0.73 1.18 0.30 -1.27 -7.23 -1.26 -4.37 120.40 107.02 1sje s VAL 160 Ca 0.38 -0.77 0.08 0.00 -1.81 0.00 0.00 61.98 59.86 1sje s VAL 160 Cb -0.23 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.64 1sje s VAL 160 CO 0.26 0.22 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.89 1sje s TYR 161 N -0.52 2.13 -0.09 2.82 1.51 0.16 -0.37 117.35 122.99 1sje s TYR 161 Ca 0.05 -0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1sje s TYR 161 Cb -0.06 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1sje s TYR 161 CO 0.00 0.40 0.22 -0.51 -1.11 0.00 0.00 175.55 174.55 1sje s ASP 162 N -3.51 -0.23 -0.33 2.29 1.01 -0.43 -0.10 116.67 115.37 1sje s ASP 162 Ca 0.31 0.45 -0.11 0.00 0.71 0.00 0.00 52.55 53.91 1sje s ASP 162 Cb 0.03 0.41 -0.00 0.00 1.01 0.00 0.00 42.92 44.36 1sje s ASP 162 CO 0.14 -0.11 0.19 0.00 0.21 0.00 0.00 175.17 175.60 1sje s ARG 164 N 1.64 3.35 -0.11 0.00 3.52 0.60 -1.27 118.95 126.68 1sje s ARG 164 Ca 0.05 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1sje s ARG 164 Cb -0.17 -3.87 -0.02 0.00 -1.56 0.00 0.00 34.95 29.33 1sje s ARG 164 CO 0.08 -0.60 -0.12 0.08 -0.81 0.00 0.00 175.30 173.93 1sje s VAL 165 N 1.89 3.22 -0.08 7.11 1.01 0.96 -1.73 120.40 132.78 1sje s VAL 165 Ca 0.09 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1sje s VAL 165 Cb -0.17 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1sje s VAL 165 CO 0.11 0.54 -0.24 -1.61 0.00 0.00 0.00 175.10 173.90 1sje s GLU 166 N 0.03 2.77 -0.21 2.72 2.02 -0.20 -0.64 118.70 125.19 1sje s GLU 166 Ca -0.04 -0.89 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 1sje s GLU 166 Cb -0.14 -2.21 0.06 0.00 0.10 0.00 0.00 34.13 31.93 1sje s GLU 166 CO 0.04 0.29 0.58 -1.58 0.02 0.00 0.00 175.26 174.60 1sje s HIS 167 N 0.07 -0.63 -0.04 1.61 2.46 -1.26 -2.02 115.29 115.48 1sje s HIS 167 Ca -0.11 1.52 0.13 0.00 0.47 0.00 0.00 55.06 57.08 1sje s HIS 167 Cb -0.16 0.22 0.72 0.00 -0.13 0.00 0.00 32.58 33.24 1sje s HIS 167 CO 0.06 -0.31 1.31 0.91 -2.47 0.00 0.00 174.74 174.24 1sje n TRP 168 N 2.70 0.45 0.64 3.88 8.01 -1.26 0.29 117.44 132.15 1sje n TRP 168 Ca -0.14 0.24 0.12 0.00 -1.31 0.00 0.00 57.50 56.41 1sje n TRP 168 Cb 0.56 -0.70 0.20 0.00 -2.01 0.00 0.00 31.31 29.36 1sje n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sje n GLY 169 N -1.28 -1.40 3.64 6.99 0.00 -1.26 -4.79 105.19 107.10 1sje n GLY 169 Ca -0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1sje n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sje s LEU 170 N -4.02 4.10 0.48 0.99 1.43 0.14 -4.46 118.68 117.34 1sje s LEU 170 Ca 0.07 0.20 0.15 0.00 -1.03 0.00 0.00 54.13 53.52 1sje s LEU 170 Cb 0.14 -2.24 1.14 0.00 0.03 0.00 0.00 46.19 45.26 1sje s LEU 170 CO 0.71 -0.02 2.08 0.44 0.23 0.00 0.00 176.35 179.79 1sje h ASP 171 N 7.72 0.01 -5.18 2.29 3.45 -1.86 -3.44 116.42 119.41 1sje h ASP 171 Ca -0.36 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 56.98 1sje h ASP 171 Cb 1.17 -0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.78 1sje h ASP 171 CO 0.65 0.09 -0.59 -0.70 -1.57 0.00 0.00 179.24 177.12 1sje s GLU 172 N -4.89 0.64 0.35 3.56 2.56 -1.26 -5.13 118.70 114.53 1sje s GLU 172 Ca -0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 54.97 53.59 1sje s GLU 172 Cb 0.16 0.23 -0.11 0.00 2.00 0.00 0.00 34.13 36.42 1sje s GLU 172 CO 0.68 -0.15 1.54 -2.14 -0.56 0.00 0.00 175.26 174.64 1sje s PRO 173 N -3.54 4.10 -0.20 4.30 0.02 -1.26 -4.90 135.00 133.52 1sje s PRO 173 Ca 0.03 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.53 1sje s PRO 173 Cb 0.05 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.54 1sje s PRO 173 CO -0.09 -0.59 0.21 -1.17 -0.33 0.00 0.00 177.00 175.04 1sje s LEU 174 N -1.56 4.19 -0.21 -5.54 2.96 0.19 -4.91 118.68 113.81 1sje s LEU 174 Ca 0.57 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1sje s LEU 174 Cb -0.47 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 43.99 1sje s LEU 174 CO 0.58 0.10 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.88 1sje s LEU 175 N 0.66 2.74 -0.30 -0.68 1.02 -1.26 -0.03 118.68 120.82 1sje s LEU 175 Ca 0.12 -0.44 -0.09 0.00 0.02 0.00 0.00 54.13 53.74 1sje s LEU 175 Cb -0.13 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1sje s LEU 175 CO 0.02 -0.00 0.13 -0.54 0.02 0.00 0.00 176.35 175.98 1sje s LYS 176 N 1.36 3.37 0.33 1.70 -0.14 -0.40 -4.90 119.74 121.07 1sje s LYS 176 Ca 0.04 -0.69 -0.13 0.00 -1.36 0.00 0.00 55.97 53.84 1sje s LYS 176 Cb -0.14 -3.51 -0.08 0.00 -1.68 0.00 0.00 37.83 32.41 1sje s LYS 176 CO -0.05 -0.38 0.72 -1.58 -0.76 0.00 0.00 175.35 173.30 1sje s HIS 177 N 1.61 3.41 -0.12 3.18 2.46 -1.26 -0.62 115.29 123.94 1sje s HIS 177 Ca 0.05 1.12 -0.10 0.00 0.47 0.00 0.00 55.06 56.60 1sje s HIS 177 Cb -0.17 -2.47 0.03 0.00 -0.13 0.00 0.00 32.58 29.85 1sje s HIS 177 CO 0.06 0.06 0.30 -0.46 -2.47 0.00 0.00 174.74 172.23 1sje s TRP 178 N -2.07 -0.35 0.09 3.88 -0.00 0.86 -4.94 118.94 116.41 1sje s TRP 178 Ca 0.52 0.84 -0.21 0.00 -0.00 0.00 0.00 56.10 57.25 1sje s TRP 178 Cb -0.10 0.12 0.05 0.00 -0.00 0.00 0.00 33.47 33.53 1sje s TRP 178 CO 0.22 -0.18 0.51 -1.83 -0.00 0.00 0.00 176.95 175.67 1sje s GLU 179 N 0.35 1.09 -0.35 5.86 -1.05 -1.26 0.37 118.70 123.71 1sje s GLU 179 Ca -0.02 -0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.13 1sje s GLU 179 Cb -0.03 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 1sje s GLU 179 CO -0.01 -0.42 1.75 0.12 0.95 0.00 0.00 175.26 177.64 1sje s PHE 180 N -3.02 1.88 0.00 4.83 5.36 -1.26 -4.74 117.98 121.03 1sje s PHE 180 Ca -0.02 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1sje s PHE 180 Cb -0.00 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1sje s PHE 180 CO -0.06 -2.80 0.43 -0.40 -1.46 0.00 0.00 175.22 170.93 1sje n ASP 181 N 10.17 0.83 0.00 6.13 5.68 -1.26 -4.92 116.55 133.18 1sje n ASP 181 Ca 0.22 -1.10 0.11 0.00 -0.50 0.00 0.00 54.79 53.52 1sje n ASP 181 Cb 0.47 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.11 1sje n ASP 181 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87