#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sje s ASP 2 N 0.00 6.31 -0.04 1.61 -1.08 -1.26 -4.83 116.67 117.38 1sje s ASP 2 Ca 0.00 -0.36 0.06 0.00 -0.52 0.00 0.00 52.55 51.73 1sje s ASP 2 Cb 0.00 -2.49 0.09 0.00 -1.46 0.00 0.00 42.92 39.06 1sje s ASP 2 CO 0.00 -1.44 1.02 0.35 0.52 0.00 0.00 175.17 175.62 1sje n THR 3 N 6.31 1.18 -1.87 1.71 -2.24 -1.26 -5.07 114.28 113.04 1sje n THR 3 Ca 0.03 -1.30 -0.37 0.00 -2.27 0.00 0.00 64.05 60.14 1sje n THR 3 Cb 0.48 0.31 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1sje n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sje s ARG 4 N -1.48 3.01 0.46 -0.78 3.00 -1.26 -4.96 118.95 116.94 1sje s ARG 4 Ca 0.10 2.05 -0.23 0.00 0.00 0.00 0.00 55.73 57.65 1sje s ARG 4 Cb 0.08 -2.09 -0.07 0.00 0.00 0.00 0.00 34.95 32.87 1sje s ARG 4 CO 0.01 -1.24 1.15 -1.25 0.00 0.00 0.00 175.30 173.97 1sje s PRO 5 N -3.11 3.78 0.16 3.54 0.04 -1.26 -5.04 135.00 133.11 1sje s PRO 5 Ca 0.75 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.56 1sje s PRO 5 Cb -0.36 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1sje s PRO 5 CO 0.41 -0.52 0.17 1.03 0.04 0.00 0.00 177.00 178.12 1sje s ARG 6 N -2.73 3.03 -0.13 4.56 1.81 -1.26 -5.10 118.95 119.13 1sje s ARG 6 Ca 0.64 -0.79 -0.03 0.00 -1.72 0.00 0.00 55.73 53.82 1sje s ARG 6 Cb -0.27 -2.73 0.05 0.00 -0.45 0.00 0.00 34.95 31.55 1sje s ARG 6 CO 0.33 0.50 0.06 -0.06 -0.68 0.00 0.00 175.30 175.44 1sje s PHE 7 N -1.73 0.40 0.21 -0.53 0.08 -1.26 -5.11 117.98 110.04 1sje s PHE 7 Ca 0.32 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.18 1sje s PHE 7 Cb -0.10 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1sje s PHE 7 CO 0.25 -0.42 0.11 -1.17 -0.10 0.00 0.00 175.22 173.88 1sje s LEU 8 N 2.06 3.62 -0.19 -0.37 2.96 -1.26 -5.09 118.68 120.42 1sje s LEU 8 Ca 0.03 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1sje s LEU 8 Cb -0.15 -2.20 0.09 0.00 0.50 0.00 0.00 46.19 44.43 1sje s LEU 8 CO -0.07 0.03 0.38 0.86 -1.32 0.00 0.00 176.35 176.23 1sje s TRP 9 N -1.96 -0.73 0.10 5.38 -0.11 -1.16 -3.87 118.94 116.59 1sje s TRP 9 Ca 0.31 1.32 0.08 0.00 1.22 0.00 0.00 56.10 59.03 1sje s TRP 9 Cb -0.09 0.20 -0.04 0.00 -1.50 0.00 0.00 33.47 32.04 1sje s TRP 9 CO 0.22 -0.50 -0.14 -0.65 -4.62 0.00 0.00 176.95 171.27 1sje s GLN 10 N 2.57 1.99 -0.06 5.86 -0.21 -0.38 -4.99 119.66 124.44 1sje s GLN 10 Ca 0.01 -1.08 0.01 0.00 0.02 0.00 0.00 55.36 54.32 1sje s GLN 10 Cb -0.13 -2.22 0.02 0.00 1.00 0.00 0.00 33.01 31.68 1sje s GLN 10 CO -0.12 0.50 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.31 1sje s LEU 11 N -2.13 1.36 -0.03 2.90 2.96 -1.26 -1.76 118.68 120.73 1sje s LEU 11 Ca 0.20 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1sje s LEU 11 Cb -0.11 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.02 1sje s LEU 11 CO 0.12 -0.04 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.51 1sje s LYS 12 N 0.96 0.67 -0.28 1.98 1.02 -0.41 -5.01 119.74 118.67 1sje s LYS 12 Ca -0.10 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1sje s LYS 12 Cb -0.14 -0.67 0.06 0.00 -0.52 0.00 0.00 37.83 36.55 1sje s LYS 12 CO 0.00 0.01 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.32 1sje s PHE 13 N 0.46 3.30 -0.23 3.18 0.40 -1.26 -0.51 117.98 123.33 1sje s PHE 13 Ca -0.06 -2.25 -0.08 0.00 -0.60 0.00 0.00 56.93 53.94 1sje s PHE 13 Cb -0.09 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1sje s PHE 13 CO -0.00 -0.87 0.09 -1.21 0.70 0.00 0.00 175.22 173.93 1sje s GLU 14 N 1.13 3.86 -0.31 0.44 2.02 0.25 -4.94 118.70 121.14 1sje s GLU 14 Ca -0.06 -0.38 -0.08 0.00 0.02 0.00 0.00 54.97 54.46 1sje s GLU 14 Cb -0.20 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.69 1sje s GLU 14 CO -0.04 0.02 0.12 0.00 0.02 0.00 0.00 175.26 175.38 1sje s HIS 16 N 1.54 3.19 -0.14 0.00 3.76 0.05 -4.96 115.29 118.73 1sje s HIS 16 Ca 0.03 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 1sje s HIS 16 Cb -0.17 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 1sje s HIS 16 CO 0.04 -0.04 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.73 1sje s PHE 17 N 0.91 2.86 -0.07 1.40 0.08 -1.26 -1.26 117.98 120.65 1sje s PHE 17 Ca 0.04 -0.59 0.06 0.00 0.12 0.00 0.00 56.93 56.56 1sje s PHE 17 Cb -0.14 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1sje s PHE 17 CO 0.03 -0.19 -0.25 -0.06 -0.10 0.00 0.00 175.22 174.65 1sje s PHE 18 N 0.41 2.47 -1.16 0.36 0.40 -0.19 -4.71 117.98 115.56 1sje s PHE 18 Ca -0.09 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.34 1sje s PHE 18 Cb -0.15 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1sje s PHE 18 CO 0.05 -0.26 0.79 -1.71 0.70 0.00 0.00 175.22 174.79 1sje n ASN 19 N 3.08 -4.51 0.00 1.36 2.85 -1.26 -2.20 115.26 114.58 1sje n ASN 19 Ca -0.18 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.40 1sje n ASN 19 Cb 0.52 -3.99 0.00 0.00 1.24 0.00 0.00 39.78 37.55 1sje n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sje n GLY 20 N -1.55 2.30 0.68 8.20 0.00 -1.26 -1.85 105.19 111.70 1sje n GLY 20 Ca -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1sje n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sje n THR 21 N 0.00 2.22 -0.03 2.61 5.66 -1.26 -4.70 114.28 118.78 1sje n THR 21 Ca 0.00 -2.28 -0.13 0.00 -3.05 0.00 0.00 64.05 58.59 1sje n THR 21 Cb 0.00 -0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 68.43 1sje n THR 21 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1sje h GLU 22 N 1.03 0.12 -4.67 1.09 4.81 -1.24 -3.43 114.58 112.30 1sje h GLU 22 Ca 0.05 -0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.67 1sje h GLU 22 Cb 1.32 -0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.36 1sje h GLU 22 CO 0.17 0.53 -0.83 0.50 -0.73 0.00 0.00 179.01 178.66 1sje s ARG 23 N -4.44 1.94 -0.01 1.92 3.52 -0.93 -5.02 118.95 115.92 1sje s ARG 23 Ca -0.15 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 1sje s ARG 23 Cb 0.03 -1.58 -0.01 0.00 -1.56 0.00 0.00 34.95 31.84 1sje s ARG 23 CO 0.70 0.04 -0.11 0.08 -0.81 0.00 0.00 175.30 175.20 1sje s VAL 24 N 0.66 0.85 -0.06 7.11 1.01 -1.26 -1.02 120.40 127.68 1sje s VAL 24 Ca -0.14 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1sje s VAL 24 Cb -0.16 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1sje s VAL 24 CO 0.04 0.24 -0.13 -0.60 0.00 0.00 0.00 175.10 174.66 1sje s ARG 25 N -0.20 1.72 -0.16 2.72 3.52 -0.39 -4.98 118.95 121.18 1sje s ARG 25 Ca 0.03 -0.43 -0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1sje s ARG 25 Cb -0.05 -1.42 -0.04 0.00 -1.56 0.00 0.00 34.95 31.88 1sje s ARG 25 CO -0.00 0.04 0.04 -1.17 -0.81 0.00 0.00 175.30 173.40 1sje s LEU 26 N 0.62 3.74 -0.25 -0.88 2.96 -1.26 -0.77 118.68 122.84 1sje s LEU 26 Ca -0.14 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1sje s LEU 26 Cb -0.16 -1.92 0.07 0.00 0.50 0.00 0.00 46.19 44.69 1sje s LEU 26 CO 0.04 0.23 0.03 -0.22 -1.32 0.00 0.00 176.35 175.10 1sje s LEU 27 N 0.04 2.17 -0.28 -0.68 2.96 0.34 -0.62 118.68 122.62 1sje s LEU 27 Ca 0.05 -1.27 -0.15 0.00 -0.22 0.00 0.00 54.13 52.54 1sje s LEU 27 Cb -0.12 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1sje s LEU 27 CO 0.01 -0.32 0.35 -0.70 -1.32 0.00 0.00 176.35 174.37 1sje s GLU 28 N 1.58 3.98 -0.01 1.98 2.12 0.51 -0.58 118.70 128.27 1sje s GLU 28 Ca 0.02 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.35 1sje s GLU 28 Cb -0.18 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 1sje s GLU 28 CO -0.13 -0.28 -0.11 -0.98 -0.54 0.00 0.00 175.26 173.21 1sje s ARG 29 N 2.04 0.97 -0.11 4.30 1.70 0.34 0.08 118.95 128.26 1sje s ARG 29 Ca 0.14 -0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 1sje s ARG 29 Cb -0.16 -0.93 -0.02 0.00 -0.57 0.00 0.00 34.95 33.27 1sje s ARG 29 CO 0.10 0.23 -0.08 0.00 -1.08 0.00 0.00 175.30 174.47 1sje s ILE 31 N -0.10 1.15 0.00 0.00 1.09 -0.72 -0.87 121.20 121.75 1sje s ILE 31 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 1sje s ILE 31 Cb -0.13 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.14 1sje s ILE 31 CO 0.03 0.38 0.10 0.00 -0.10 0.00 0.00 174.94 175.36 1sje n TYR 32 N 4.64 0.00 0.00 3.97 9.36 -0.14 -1.25 117.16 133.74 1sje n TYR 32 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1sje n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1sje n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1sje n ASN 33 N -0.23 0.00 -0.02 2.98 3.02 -1.25 -2.99 115.26 116.76 1sje n ASN 33 Ca 0.00 0.01 0.01 0.00 -0.03 0.00 0.00 54.58 54.58 1sje n ASN 33 Cb 0.00 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1sje n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1sje n GLN 34 N -1.90 2.27 -3.82 3.52 7.27 -1.26 -4.88 117.38 118.57 1sje n GLN 34 Ca 0.00 -1.51 -0.36 0.00 0.07 0.00 0.00 57.00 55.20 1sje n GLN 34 Cb 0.00 -0.99 -0.13 0.00 2.41 0.00 0.00 30.24 31.53 1sje n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1sje s GLU 35 N -1.11 2.96 0.04 3.69 2.12 -1.26 -5.08 118.70 120.06 1sje s GLU 35 Ca 0.05 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 1sje s GLU 35 Cb 0.04 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.10 1sje s GLU 35 CO 0.00 -0.45 1.50 -2.00 -0.54 0.00 0.00 175.26 173.77 1sje s GLU 36 N 1.44 4.25 -0.14 4.30 2.12 -1.26 -0.97 118.70 128.44 1sje s GLU 36 Ca 0.01 2.12 0.10 0.00 0.36 0.00 0.00 54.97 57.57 1sje s GLU 36 Cb -0.17 -3.55 -0.16 0.00 0.26 0.00 0.00 34.13 30.51 1sje s GLU 36 CO 0.00 -0.63 0.01 -1.13 -0.54 0.00 0.00 175.26 172.98 1sje n SER 37 N 5.32 1.83 -3.66 -1.70 3.41 -0.04 -4.28 113.62 114.50 1sje n SER 37 Ca 0.14 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1sje n SER 37 Cb 0.42 0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 64.95 1sje n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sje s VAL 38 N -2.33 0.05 0.15 -3.33 0.11 -1.24 0.46 120.40 114.27 1sje s VAL 38 Ca -0.10 -0.45 -0.20 0.00 -2.93 0.00 0.00 61.98 58.31 1sje s VAL 38 Cb 0.04 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1sje s VAL 38 CO 0.53 -0.25 0.50 0.00 -3.33 0.00 0.00 175.10 172.55 1sje s ARG 39 N -2.48 1.19 -0.18 1.54 1.70 -0.85 -1.30 118.95 118.56 1sje s ARG 39 Ca -0.05 -0.60 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1sje s ARG 39 Cb -0.01 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1sje s ARG 39 CO -0.02 -0.50 -0.12 0.12 -1.08 0.00 0.00 175.30 173.70 1sje s PHE 40 N -3.78 2.37 -0.26 5.89 2.19 0.11 -0.76 117.98 123.74 1sje s PHE 40 Ca 0.02 -1.49 -0.07 0.00 0.33 0.00 0.00 56.93 55.72 1sje s PHE 40 Cb 0.00 -1.64 -0.02 0.00 -1.31 0.00 0.00 43.02 40.05 1sje s PHE 40 CO -0.12 -0.73 0.07 0.34 1.83 0.00 0.00 175.22 176.61 1sje s ASP 41 N 1.41 5.10 0.60 6.13 -1.08 -1.26 -0.37 116.67 127.21 1sje s ASP 41 Ca 0.01 -0.34 0.30 0.00 -0.52 0.00 0.00 52.55 52.00 1sje s ASP 41 Cb -0.15 -1.91 1.76 0.00 -1.46 0.00 0.00 42.92 41.16 1sje s ASP 41 CO -0.09 -0.08 2.16 0.77 0.52 0.00 0.00 175.17 178.45 1sje h SER 42 N 8.24 0.00 0.98 -0.34 4.64 -1.24 0.37 113.55 126.20 1sje h SER 42 Ca -0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1sje h SER 42 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1sje h SER 42 CO 0.59 0.00 -0.25 0.44 -0.87 0.00 0.00 176.83 176.73 1sje h ASP 43 N 0.00 0.00 0.23 4.97 3.32 -1.94 -3.17 116.42 119.83 1sje h ASP 43 Ca 0.05 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.76 1sje h ASP 43 Cb 0.32 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1sje h ASP 43 CO -0.00 0.25 -1.97 0.52 -1.72 0.00 0.00 179.24 176.32 1sje n VAL 44 N -3.39 1.68 -0.03 -1.35 0.31 0.11 -5.01 118.33 110.66 1sje n VAL 44 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1sje n VAL 44 Cb 0.46 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1sje n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sje n GLY 45 N 1.86 0.84 3.60 2.92 0.00 -0.01 -5.03 105.19 109.38 1sje n GLY 45 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1sje n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sje s GLU 46 N -0.71 1.55 0.43 1.61 -1.05 -1.26 -4.92 118.70 114.35 1sje s GLU 46 Ca 0.00 -1.20 -0.23 0.00 -0.15 0.00 0.00 54.97 53.39 1sje s GLU 46 Cb 0.00 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 1sje s GLU 46 CO 0.00 -0.65 1.10 0.71 0.95 0.00 0.00 175.26 177.37 1sje s TYR 47 N -4.00 3.08 -0.03 4.83 2.02 -1.26 -4.07 117.35 117.92 1sje s TYR 47 Ca 0.20 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.49 1sje s TYR 47 Cb -0.01 -3.24 0.03 0.00 -0.40 0.00 0.00 41.96 38.34 1sje s TYR 47 CO 0.08 -1.02 0.00 1.03 -1.57 0.00 0.00 175.55 174.07 1sje s ARG 48 N -2.62 0.31 0.28 -0.62 1.81 0.06 -4.92 118.95 113.26 1sje s ARG 48 Ca 0.61 0.10 -0.29 0.00 -1.72 0.00 0.00 55.73 54.42 1sje s ARG 48 Cb -0.25 -0.54 -0.10 0.00 -0.45 0.00 0.00 34.95 33.61 1sje s ARG 48 CO 0.30 -0.17 1.31 0.00 -0.68 0.00 0.00 175.30 176.07 1sje s ALA 49 N 1.21 3.52 -0.13 2.13 0.00 -1.26 -2.00 121.76 125.22 1sje s ALA 49 Ca -0.07 1.20 0.18 0.00 0.00 0.00 0.00 51.96 53.27 1sje s ALA 49 Cb -0.13 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.27 1sje s ALA 49 CO -0.02 -0.59 0.38 0.28 0.00 0.00 0.00 175.76 175.81 1sje n VAL 50 N 1.57 1.08 -4.07 0.00 0.31 0.17 -4.92 118.33 112.48 1sje n VAL 50 Ca 0.03 -0.74 -0.10 0.00 -0.01 0.00 0.00 64.34 63.51 1sje n VAL 50 Cb 0.42 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.79 1sje n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sje s THR 51 N -2.81 0.06 0.41 2.52 -4.23 -1.04 -4.96 115.64 105.58 1sje s THR 51 Ca -0.08 -1.67 0.14 0.00 -1.18 0.00 0.00 61.69 58.91 1sje s THR 51 Cb 0.08 -2.07 0.35 0.00 1.34 0.00 0.00 72.50 72.20 1sje s THR 51 CO 0.84 -0.26 1.90 -0.33 -0.54 0.00 0.00 174.62 176.23 1sje h GLU 52 N 2.62 0.48 -0.54 3.99 4.39 -1.94 -1.19 114.58 122.39 1sje h GLU 52 Ca -0.33 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.46 1sje h GLU 52 Cb 1.23 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1sje h GLU 52 CO 0.51 0.31 0.37 1.25 -1.16 0.00 0.00 179.01 180.30 1sje h LEU 53 N 0.49 0.19 -0.05 1.33 7.12 -1.96 -2.31 115.31 120.12 1sje h LEU 53 Ca 0.41 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1sje h LEU 53 Cb 0.86 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1sje h LEU 53 CO -0.15 0.11 -0.64 0.61 -0.13 0.00 0.00 178.44 178.24 1sje n GLY 54 N -1.57 -1.11 0.28 3.75 0.00 -0.45 -4.49 105.19 101.59 1sje n GLY 54 Ca 0.09 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1sje n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sje h ARG 55 N 0.12 0.09 -0.90 1.61 3.08 -1.40 -1.01 114.38 115.96 1sje h ARG 55 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1sje h ARG 55 Cb 0.51 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1sje h ARG 55 CO 0.00 0.06 0.57 -1.35 -1.07 0.00 0.00 179.97 178.17 1sje h PRO 56 N 0.09 0.98 -0.24 0.04 0.11 -1.79 -2.04 132.00 129.15 1sje h PRO 56 Ca 0.42 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.35 1sje h PRO 56 Cb 0.74 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1sje h PRO 56 CO -0.69 0.65 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.02 1sje h ASP 57 N 1.01 0.69 -0.42 -2.05 3.32 -1.51 -0.16 116.42 117.30 1sje h ASP 57 Ca 0.40 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1sje h ASP 57 Cb 0.20 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1sje h ASP 57 CO -0.18 1.04 0.14 0.00 -1.72 0.00 0.00 179.24 178.52 1sje h ALA 58 N 0.66 0.50 -0.41 3.45 0.00 -1.16 0.27 119.26 122.57 1sje h ALA 58 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sje h ALA 58 Cb 0.87 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1sje h ALA 58 CO 0.07 -0.25 0.08 1.49 0.00 0.00 0.00 179.25 180.65 1sje h GLU 59 N 0.31 0.67 -0.33 0.00 4.81 -1.30 -1.34 114.58 117.40 1sje h GLU 59 Ca 0.20 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1sje h GLU 59 Cb 0.19 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sje h GLU 59 CO -0.20 0.70 -0.47 -0.92 -0.73 0.00 0.00 179.01 177.39 1sje h TYR 60 N 0.53 1.08 -0.08 0.92 3.20 -0.63 -2.94 116.97 119.04 1sje h TYR 60 Ca 0.13 -0.35 -0.18 0.00 3.14 0.00 0.00 58.73 61.47 1sje h TYR 60 Cb 0.34 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1sje h TYR 60 CO 0.02 1.17 -0.71 -1.49 -1.64 0.00 0.00 178.16 175.52 1sje h TRP 61 N 0.70 0.50 0.00 -3.82 6.55 -0.46 -2.92 115.95 116.49 1sje h TRP 61 Ca 0.04 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1sje h TRP 61 Cb 1.06 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1sje h TRP 61 CO 0.07 0.96 0.00 -0.91 -1.05 0.00 0.00 178.44 177.50 1sje h ASN 62 N 0.26 0.00 0.37 -3.49 2.35 -1.25 -2.08 115.58 111.74 1sje h ASN 62 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1sje h ASN 62 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1sje h ASN 62 CO 0.12 0.00 -0.12 -1.54 -1.65 0.00 0.00 177.43 174.24 1sje n SER 63 N -2.75 0.50 -4.28 5.81 3.41 -1.10 -4.61 113.62 110.59 1sje n SER 63 Ca 0.01 -0.56 -0.44 0.00 -0.26 0.00 0.00 58.87 57.61 1sje n SER 63 Cb 0.26 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1sje n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sje s GLN 64 N -2.50 3.03 0.26 4.33 -0.21 -0.78 -4.96 119.66 118.83 1sje s GLN 64 Ca 0.28 -2.01 -0.02 0.00 0.02 0.00 0.00 55.36 53.64 1sje s GLN 64 Cb 0.20 -4.21 0.48 0.00 1.00 0.00 0.00 33.01 30.48 1sje s GLN 64 CO 0.48 -1.28 1.81 0.87 -2.12 0.00 0.00 175.29 175.05 1sje h LYS 65 N 8.33 0.80 -0.84 2.91 6.56 -1.84 -1.73 116.57 130.76 1sje h LYS 65 Ca -0.14 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.39 1sje h LYS 65 Cb 1.07 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 32.51 1sje h LYS 65 CO 0.89 0.53 0.46 -0.44 -2.06 0.00 0.00 179.45 178.83 1sje h ASP 66 N 0.82 1.05 0.11 0.86 3.32 -1.95 -0.16 116.42 120.47 1sje h ASP 66 Ca 0.45 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 1sje h ASP 66 Cb 0.48 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1sje h ASP 66 CO -0.28 0.85 -0.05 0.25 -1.72 0.00 0.00 179.24 178.28 1sje h LEU 67 N 1.17 -0.13 -0.89 1.55 5.85 -1.68 -1.47 115.31 119.71 1sje h LEU 67 Ca 0.30 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sje h LEU 67 Cb 0.03 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1sje h LEU 67 CO -0.05 0.12 0.58 0.25 -0.34 0.00 0.00 178.44 179.01 1sje h LEU 68 N -0.38 0.99 -0.59 2.25 5.85 -1.19 0.17 115.31 122.41 1sje h LEU 68 Ca -0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sje h LEU 68 Cb 0.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1sje h LEU 68 CO 0.03 0.69 0.29 -0.08 -0.34 0.00 0.00 178.44 179.03 1sje h GLU 69 N 1.16 0.84 -0.01 1.25 4.81 -0.92 0.25 114.58 121.97 1sje h GLU 69 Ca 0.34 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1sje h GLU 69 Cb -0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1sje h GLU 69 CO -0.10 0.67 0.00 0.37 -0.73 0.00 0.00 179.01 179.23 1sje h GLN 70 N 0.80 0.01 -1.00 1.92 -0.00 -0.59 -2.25 115.11 114.01 1sje h GLN 70 Ca 0.20 -0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.92 1sje h GLN 70 Cb 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.51 1sje h GLN 70 CO -0.03 0.25 0.65 0.00 0.00 0.00 0.00 178.83 179.70 1sje h ARG 71 N -0.22 1.15 0.00 1.69 -0.00 -0.43 -1.17 114.38 115.39 1sje h ARG 71 Ca 0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.37 1sje h ARG 71 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 29.94 1sje h ARG 71 CO 0.00 0.76 -0.20 0.00 0.00 0.00 0.00 179.97 180.53 1sje h ARG 72 N 1.18 0.00 -0.01 0.04 3.08 -0.24 -2.95 114.38 115.48 1sje h ARG 72 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1sje h ARG 72 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1sje h ARG 72 CO -0.17 0.20 -0.69 0.00 -1.07 0.00 0.00 179.97 178.24 1sje n ALA 73 N -2.36 4.05 0.16 0.04 0.00 -0.73 -4.43 120.51 117.24 1sje n ALA 73 Ca -0.02 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.96 1sje n ALA 73 Cb 0.29 -0.79 0.73 0.00 0.00 0.00 0.00 19.45 19.68 1sje n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sje h ALA 74 N 3.51 2.06 -0.11 0.00 0.00 -1.06 0.63 119.26 124.29 1sje h ALA 74 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sje h ALA 74 Cb 0.64 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sje h ALA 74 CO 0.00 -0.30 0.10 -0.24 0.00 0.00 0.00 179.25 178.81 1sje h VAL 75 N 0.00 0.70 0.00 0.00 3.04 -1.77 0.49 116.25 118.70 1sje h VAL 75 Ca 0.11 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.70 1sje h VAL 75 Cb 0.47 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 1sje h VAL 75 CO -0.00 0.00 -1.11 0.47 -1.01 0.00 0.00 177.57 175.92 1sje n ASP 76 N -4.13 1.89 0.24 3.17 8.00 0.13 -2.05 116.55 123.80 1sje n ASP 76 Ca -0.00 0.44 0.11 0.00 0.71 0.00 0.00 54.79 56.05 1sje n ASP 76 Cb 0.21 -0.82 0.61 0.00 -0.02 0.00 0.00 41.12 41.10 1sje n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1sje h THR 77 N -1.00 0.58 0.00 -3.53 1.35 -1.28 -2.66 112.91 106.37 1sje h THR 77 Ca -0.14 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1sje h THR 77 Cb 0.97 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1sje h THR 77 CO -0.09 0.17 -0.22 0.00 -0.25 0.00 0.00 175.52 175.13 1sje n TYR 78 N -3.55 0.00 0.30 4.73 9.36 0.15 -4.46 117.16 123.70 1sje n TYR 78 Ca -0.01 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.09 1sje n TYR 78 Cb 0.32 -0.11 -0.06 0.00 -0.63 0.00 0.00 39.34 38.86 1sje n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sje h ARG 80 N -0.79 0.33 0.78 0.00 3.08 -1.44 -1.37 114.38 114.96 1sje h ARG 80 Ca -0.08 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1sje h ARG 80 Cb 0.59 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1sje h ARG 80 CO 0.13 0.22 -0.37 1.25 -1.07 0.00 0.00 179.97 180.12 1sje h HIS 81 N 0.34 -0.97 0.00 3.04 2.76 -1.41 -2.24 115.15 116.67 1sje h HIS 81 Ca 0.11 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1sje h HIS 81 Cb 0.04 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1sje h HIS 81 CO -0.00 -0.60 -0.01 -0.91 -1.30 0.00 0.00 177.93 175.11 1sje h ASN 82 N -1.27 0.00 -0.17 3.26 2.35 -0.97 -1.02 115.58 117.76 1sje h ASN 82 Ca -0.11 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.52 1sje h ASN 82 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1sje h ASN 82 CO 0.18 0.01 -0.37 0.22 -1.65 0.00 0.00 177.43 175.81 1sje h TYR 83 N 0.00 0.70 -0.71 1.19 5.03 -1.15 -1.10 116.97 120.92 1sje h TYR 83 Ca -0.00 -0.26 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 1sje h TYR 83 Cb 0.02 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 1sje h TYR 83 CO 0.00 1.00 0.34 0.78 -1.32 0.00 0.00 178.16 178.96 1sje h GLY 84 N 0.20 1.08 0.88 1.82 0.00 -0.59 0.13 103.07 106.59 1sje h GLY 84 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1sje h GLY 84 CO 0.08 0.49 -0.14 -2.08 0.00 0.00 0.00 176.54 174.89 1sje h VAL 85 N 1.01 1.30 -0.00 4.60 2.07 -1.21 -3.31 116.25 120.70 1sje h VAL 85 Ca 0.25 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1sje h VAL 85 Cb 0.10 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1sje h VAL 85 CO -0.03 0.39 -0.57 0.61 0.02 0.00 0.00 177.57 177.99 1sje n GLY 86 N -0.00 -1.00 0.28 2.17 0.00 -0.43 -4.51 105.19 101.69 1sje n GLY 86 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1sje n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sje h GLU 87 N 0.36 0.05 -0.63 1.61 4.81 -0.84 -2.06 114.58 117.89 1sje h GLU 87 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1sje h GLU 87 Cb 0.52 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1sje h GLU 87 CO 0.00 0.04 0.42 0.66 -0.73 0.00 0.00 179.01 179.39 1sje h SER 88 N 0.06 0.72 -0.44 1.04 4.64 -1.82 -2.29 113.55 115.46 1sje h SER 88 Ca 0.41 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1sje h SER 88 Cb 0.69 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sje h SER 88 CO -0.73 0.52 0.00 2.22 -0.87 0.00 0.00 176.83 177.97 1sje n PHE 89 N -4.44 0.67 0.00 4.77 -1.74 -0.89 -4.19 117.46 111.65 1sje n PHE 89 Ca 0.06 -0.54 0.00 0.00 -0.56 0.00 0.00 57.45 56.42 1sje n PHE 89 Cb 0.04 -0.06 0.00 0.00 1.52 0.00 0.00 39.48 40.98 1sje n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1sje n THR 90 N 0.70 0.00 -0.21 1.97 -2.24 -0.83 -4.46 114.28 109.21 1sje n THR 90 Ca 0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 1sje n THR 90 Cb 0.53 -0.45 0.41 0.00 -2.10 0.00 0.00 70.33 68.72 1sje n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1sje h VAL 91 N 0.00 0.87 -0.02 2.28 2.07 -1.70 -2.03 116.25 117.72 1sje h VAL 91 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1sje h VAL 91 Cb 0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1sje h VAL 91 CO 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.49 1sje n GLN 92 N -4.52 1.69 -1.77 1.57 6.02 -0.88 -4.95 117.38 114.55 1sje n GLN 92 Ca 0.15 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.00 55.38 1sje n GLN 92 Cb 0.42 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 1sje n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1sje s ARG 93 N -2.23 4.14 -0.04 -1.09 3.52 -0.77 -4.97 118.95 117.52 1sje s ARG 93 Ca 0.25 2.56 -0.01 0.00 -0.13 0.00 0.00 55.73 58.39 1sje s ARG 93 Cb 0.19 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1sje s ARG 93 CO 0.43 -0.73 0.06 1.03 -0.81 0.00 0.00 175.30 175.29 1sje s ARG 94 N 1.24 -0.04 -0.09 5.12 0.52 -1.26 -4.02 118.95 120.42 1sje s ARG 94 Ca 0.74 0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 56.26 1sje s ARG 94 Cb -0.48 -0.36 0.03 0.00 0.52 0.00 0.00 34.95 34.65 1sje s ARG 94 CO 0.32 -0.25 -0.04 0.08 0.02 0.00 0.00 175.30 175.43 1sje s VAL 95 N 1.66 0.74 0.39 3.52 1.01 -0.22 -4.97 120.40 122.53 1sje s VAL 95 Ca -0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 1sje s VAL 95 Cb -0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1sje s VAL 95 CO -0.03 0.32 1.28 -0.70 0.00 0.00 0.00 175.10 175.97 1sje s GLU 96 N 1.75 4.05 0.45 2.72 2.12 -1.26 -1.63 118.70 126.91 1sje s GLU 96 Ca 0.04 2.12 -0.21 0.00 0.36 0.00 0.00 54.97 57.28 1sje s GLU 96 Cb -0.13 -2.80 -0.10 0.00 0.26 0.00 0.00 34.13 31.36 1sje s GLU 96 CO -0.06 -0.41 0.99 -1.25 -0.54 0.00 0.00 175.26 173.99 1sje s PRO 97 N -2.16 4.04 -0.23 4.30 0.04 -1.26 -4.46 135.00 135.27 1sje s PRO 97 Ca 0.55 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1sje s PRO 97 Cb -0.37 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1sje s PRO 97 CO 0.48 -0.21 0.46 0.21 0.04 0.00 0.00 177.00 177.98 1sje s LYS 98 N -3.19 4.12 -0.13 4.56 2.20 0.34 -4.90 119.74 122.74 1sje s LYS 98 Ca 0.64 0.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 1sje s LYS 98 Cb -0.12 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1sje s LYS 98 CO 0.16 -0.20 -0.19 0.08 -0.36 0.00 0.00 175.35 174.84 1sje s VAL 99 N 1.82 2.41 -0.02 4.02 1.01 -1.26 -1.73 120.40 126.66 1sje s VAL 99 Ca 0.20 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1sje s VAL 99 Cb -0.15 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1sje s VAL 99 CO 0.09 0.54 0.08 0.28 0.00 0.00 0.00 175.10 176.09 1sje s THR 100 N 0.63 0.03 -0.10 3.92 -1.32 -0.68 -5.00 115.64 113.12 1sje s THR 100 Ca -0.10 -0.22 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1sje s THR 100 Cb -0.16 -0.20 -0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1sje s THR 100 CO 0.03 -0.12 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.40 1sje s VAL 101 N -0.37 2.23 0.02 5.08 1.01 -1.26 -1.12 120.40 126.00 1sje s VAL 101 Ca -0.04 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1sje s VAL 101 Cb -0.03 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1sje s VAL 101 CO 0.00 0.56 0.57 -0.72 0.00 0.00 0.00 175.10 175.51 1sje s TYR 102 N 0.24 -0.51 0.58 5.22 1.13 -0.91 -5.01 117.35 118.10 1sje s TYR 102 Ca -0.15 0.67 -0.18 0.00 -1.41 0.00 0.00 57.07 56.00 1sje s TYR 102 Cb -0.17 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.03 1sje s TYR 102 CO 0.07 -0.64 1.13 -1.25 -2.51 0.00 0.00 175.55 172.35 1sje s PRO 103 N -2.09 3.19 0.47 -3.49 0.04 -1.26 -1.02 135.00 130.84 1sje s PRO 103 Ca -0.07 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1sje s PRO 103 Cb -0.01 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1sje s PRO 103 CO 0.01 -0.97 1.12 0.45 0.04 0.00 0.00 177.00 177.65 1sje s SER 104 N -1.98 6.19 0.00 6.66 0.15 -0.05 -4.79 113.70 119.87 1sje s SER 104 Ca 0.71 2.18 0.19 0.00 0.70 0.00 0.00 55.95 59.74 1sje s SER 104 Cb -0.23 -2.59 0.90 0.00 -1.71 0.00 0.00 66.02 62.39 1sje s SER 104 CO 0.31 -0.90 1.61 0.29 1.20 0.00 0.00 173.24 175.75 1sje n LYS 105 N -0.66 0.15 0.00 5.44 4.01 -1.26 -4.09 118.16 121.74 1sje n LYS 105 Ca 0.08 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1sje n LYS 105 Cb 0.49 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1sje n LYS 105 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1sje n THR 106 N -1.39 0.00 -3.29 -0.18 -1.04 -1.26 -5.00 114.28 102.12 1sje n THR 106 Ca 0.07 0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.95 1sje n THR 106 Cb 0.19 -0.05 0.06 0.00 -1.82 0.00 0.00 70.33 68.70 1sje n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sje n GLN 107 N -0.27 -1.99 0.00 -2.82 1.13 -1.26 -4.99 117.38 107.17 1sje n GLN 107 Ca 0.00 0.88 0.00 0.00 -1.94 0.00 0.00 57.00 55.94 1sje n GLN 107 Cb 0.00 -5.55 0.00 0.00 0.11 0.00 0.00 30.24 24.80 1sje n GLN 107 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1sje n PRO 108 N -3.20 0.00 -1.57 -1.09 -0.04 -1.26 -4.59 135.00 123.26 1sje n PRO 108 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1sje n PRO 108 Cb 0.60 -0.69 -0.04 0.00 -0.04 0.00 0.00 33.50 33.33 1sje n PRO 108 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1sje n LEU 109 N -0.23 2.90 0.00 1.53 -0.00 -1.26 -4.93 117.00 115.01 1sje n LEU 109 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1sje n LEU 109 Cb 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 41.91 1sje n LEU 109 CO 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 177.39 176.55 1sje n GLN 110 N 8.72 0.00 -0.45 1.47 3.00 -1.26 -3.05 117.38 125.81 1sje n GLN 110 Ca 0.33 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.19 1sje n GLN 110 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.63 1sje n GLN 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1sje n HIS 111 N 0.00 0.00 -3.54 1.08 8.25 -1.26 -4.58 115.22 115.17 1sje n HIS 111 Ca 0.00 -0.30 -0.16 0.00 -0.26 0.00 0.00 57.72 57.00 1sje n HIS 111 Cb 0.00 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.52 1sje n HIS 111 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1sje s HIS 112 N 4.42 -0.58 -0.22 4.41 3.76 -1.17 -4.83 115.29 121.08 1sje s HIS 112 Ca 0.21 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 56.13 1sje s HIS 112 Cb 0.05 0.41 0.06 0.00 1.11 0.00 0.00 32.58 34.21 1sje s HIS 112 CO 0.11 -0.52 0.00 1.21 -0.85 0.00 0.00 174.74 174.69 1sje s ASN 113 N -1.09 3.37 -0.34 1.40 3.04 0.18 -4.95 114.94 116.55 1sje s ASN 113 Ca -0.08 -1.01 -0.26 0.00 0.04 0.00 0.00 52.86 51.54 1sje s ASN 113 Cb -0.00 -0.86 0.01 0.00 -1.54 0.00 0.00 41.25 38.86 1sje s ASN 113 CO 0.07 -0.28 0.95 -0.22 -3.04 0.00 0.00 177.10 174.58 1sje s LEU 114 N 1.65 3.98 0.10 3.21 0.20 -1.26 -2.05 118.68 124.51 1sje s LEU 114 Ca -0.03 0.75 -0.08 0.00 0.69 0.00 0.00 54.13 55.46 1sje s LEU 114 Cb -0.18 -3.33 -0.06 0.00 -0.43 0.00 0.00 46.19 42.20 1sje s LEU 114 CO -0.08 -0.83 0.39 -0.76 -0.29 0.00 0.00 176.35 174.78 1sje s LEU 115 N 3.46 4.32 -0.17 -0.68 1.43 -0.08 -0.87 118.68 126.07 1sje s LEU 115 Ca 0.40 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1sje s LEU 115 Cb -0.12 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.03 1sje s LEU 115 CO 0.17 0.13 -0.19 -0.69 0.23 0.00 0.00 176.35 176.00 1sje s VAL 116 N -1.48 1.97 -0.39 -1.59 1.01 -0.19 -1.00 120.40 118.73 1sje s VAL 116 Ca 0.35 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1sje s VAL 116 Cb -0.13 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1sje s VAL 116 CO 0.20 0.52 0.22 0.00 0.00 0.00 0.00 175.10 176.04 1sje s SER 118 N 1.67 6.37 -0.16 0.00 0.15 -0.27 -1.74 113.70 119.72 1sje s SER 118 Ca 0.02 0.44 -0.00 0.00 0.70 0.00 0.00 55.95 57.11 1sje s SER 118 Cb -0.20 -2.22 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1sje s SER 118 CO 0.06 -0.08 -0.08 -0.69 1.20 0.00 0.00 173.24 173.65 1sje s VAL 119 N 1.41 1.26 0.23 4.45 1.01 -0.80 -1.68 120.40 126.29 1sje s VAL 119 Ca 0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1sje s VAL 119 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1sje s VAL 119 CO 0.08 0.21 0.25 -0.94 0.00 0.00 0.00 175.10 174.70 1sje s SER 120 N 1.58 0.29 -1.63 3.32 1.04 -0.70 -0.97 113.70 116.61 1sje s SER 120 Ca 0.01 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1sje s SER 120 Cb -0.15 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1sje s SER 120 CO -0.08 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1sje n GLY 121 N -0.35 1.57 3.98 7.32 0.00 -0.34 -0.50 105.19 116.87 1sje n GLY 121 Ca 0.02 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1sje n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sje s PHE 122 N -2.57 3.14 -0.28 1.61 -0.71 -1.13 -4.67 117.98 113.38 1sje s PHE 122 Ca 0.00 -0.20 -0.24 0.00 -1.04 0.00 0.00 56.93 55.45 1sje s PHE 122 Cb 0.00 -1.93 0.09 0.00 -1.21 0.00 0.00 43.02 39.97 1sje s PHE 122 CO 0.00 0.05 0.85 -0.47 -1.34 0.00 0.00 175.22 174.31 1sje s TYR 123 N -2.16 -0.67 0.58 3.49 6.14 -0.64 -0.85 117.35 123.23 1sje s TYR 123 Ca 0.43 1.61 -0.10 0.00 0.64 0.00 0.00 57.07 59.66 1sje s TYR 123 Cb -0.09 0.33 0.14 0.00 0.42 0.00 0.00 41.96 42.76 1sje s TYR 123 CO 0.31 -0.33 0.51 -0.35 0.64 0.00 0.00 175.55 176.33 1sje n PRO 124 N 2.62 -2.04 0.24 4.97 -0.04 -1.26 -1.05 135.00 138.44 1sje n PRO 124 Ca -0.14 -0.82 0.13 0.00 -0.04 0.00 0.00 63.50 62.63 1sje n PRO 124 Cb 0.56 -0.77 0.37 0.00 -0.04 0.00 0.00 33.50 33.61 1sje n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sje h GLY 125 N -1.56 0.00 -5.02 0.55 0.00 -1.98 -3.45 103.07 91.61 1sje h GLY 125 Ca -0.19 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.60 1sje h GLY 125 CO 0.13 0.00 1.05 -0.45 0.00 0.00 0.00 176.54 177.27 1sje s SER 126 N -6.04 6.56 -0.09 0.19 0.15 -1.26 -4.96 113.70 108.25 1sje s SER 126 Ca 0.04 2.54 -0.30 0.00 0.70 0.00 0.00 55.95 58.93 1sje s SER 126 Cb 0.07 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.92 1sje s SER 126 CO 0.63 -0.93 0.82 -0.51 1.20 0.00 0.00 173.24 174.44 1sje s ILE 127 N 2.96 0.00 -0.16 6.45 2.07 -1.26 -4.53 121.20 126.73 1sje s ILE 127 Ca 0.77 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.01 1sje s ILE 127 Cb -0.41 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.21 1sje s ILE 127 CO 0.34 0.00 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.64 1sje s GLU 128 N -1.33 2.07 -0.20 3.50 2.02 -0.48 -5.00 118.70 119.30 1sje s GLU 128 Ca -0.06 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 1sje s GLU 128 Cb -0.00 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1sje s GLU 128 CO 0.05 -0.31 -0.11 0.08 0.02 0.00 0.00 175.26 174.99 1sje s VAL 129 N 1.49 2.87 0.08 2.63 1.01 -1.26 -0.89 120.40 126.34 1sje s VAL 129 Ca 0.03 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1sje s VAL 129 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1sje s VAL 129 CO -0.09 0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 175.21 1sje s ARG 130 N 1.28 0.87 0.00 2.72 0.52 0.44 -4.96 118.95 119.83 1sje s ARG 130 Ca 0.03 -1.02 0.03 0.00 -0.52 0.00 0.00 55.73 54.25 1sje s ARG 130 Cb -0.14 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 1sje s ARG 130 CO -0.05 0.19 -0.05 -1.58 0.02 0.00 0.00 175.30 173.82 1sje s TRP 131 N -1.46 2.94 0.00 -0.53 0.52 -1.26 0.79 118.94 119.95 1sje s TRP 131 Ca 0.01 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.14 1sje s TRP 131 Cb -0.09 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1sje s TRP 131 CO 0.02 0.40 -0.07 -0.06 0.02 0.00 0.00 176.95 177.27 1sje s PHE 132 N -1.03 0.58 -0.40 -1.98 0.40 0.97 -1.07 117.98 115.45 1sje s PHE 132 Ca 0.18 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1sje s PHE 132 Cb -0.11 -0.37 0.11 0.00 0.51 0.00 0.00 43.02 43.16 1sje s PHE 132 CO 0.08 -0.02 0.17 0.50 0.70 0.00 0.00 175.22 176.66 1sje s ARG 133 N -0.32 1.89 -0.94 0.44 3.52 -0.13 -0.15 118.95 123.26 1sje s ARG 133 Ca 0.01 -1.87 -0.04 0.00 -0.13 0.00 0.00 55.73 53.71 1sje s ARG 133 Cb -0.03 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1sje s ARG 133 CO -0.00 -1.04 0.81 0.09 -0.81 0.00 0.00 175.30 174.34 1sje n ASN 134 N 4.46 -3.82 0.00 -2.12 3.02 -0.49 -3.27 115.26 113.05 1sje n ASN 134 Ca -0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1sje n ASN 134 Cb 0.41 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 1sje n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sje n GLY 135 N -1.38 1.82 3.35 7.41 0.00 -1.26 -5.03 105.19 110.11 1sje n GLY 135 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1sje n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sje s GLN 136 N -0.31 3.15 0.49 1.61 -2.07 -1.20 -5.07 119.66 116.26 1sje s GLN 136 Ca 0.00 -0.73 -0.24 0.00 -1.82 0.00 0.00 55.36 52.57 1sje s GLN 136 Cb 0.00 -2.51 -0.07 0.00 -1.09 0.00 0.00 33.01 29.34 1sje s GLN 136 CO 0.00 0.28 1.33 -1.91 -1.32 0.00 0.00 175.29 173.67 1sje n GLU 137 N 3.31 1.87 -3.62 9.60 2.13 -1.26 -0.96 120.64 131.71 1sje n GLU 137 Ca -0.18 0.68 -0.36 0.00 0.66 0.00 0.00 57.16 57.96 1sje n GLU 137 Cb 0.53 -2.51 -0.07 0.00 0.27 0.00 0.00 31.44 29.65 1sje n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1sje s GLU 138 N -2.55 4.18 -0.28 5.31 0.41 -0.23 -4.81 118.70 120.73 1sje s GLU 138 Ca 0.66 -0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 55.06 1sje s GLU 138 Cb -0.45 -3.41 -0.12 0.00 -1.78 0.00 0.00 34.13 28.37 1sje s GLU 138 CO 0.54 0.30 -0.36 1.63 -0.49 0.00 0.00 175.26 176.88 1sje n LYS 139 N 3.44 0.59 -2.89 1.61 4.76 -1.26 -4.72 118.16 119.69 1sje n LYS 139 Ca -0.14 0.26 -0.24 0.00 -2.87 0.00 0.00 58.31 55.33 1sje n LYS 139 Cb 0.52 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1sje n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sje s ALA 140 N -2.51 3.68 0.00 7.82 0.00 -1.26 -4.26 121.76 125.24 1sje s ALA 140 Ca -0.39 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1sje s ALA 140 Cb 0.15 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1sje s ALA 140 CO 0.49 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1sje n GLY 141 N -2.16 2.96 3.73 0.00 0.00 -1.26 -4.86 105.19 103.60 1sje n GLY 141 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1sje n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sje s VAL 142 N -1.61 4.26 -0.11 1.61 1.01 -1.26 -2.33 120.40 121.97 1sje s VAL 142 Ca 0.00 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.78 1sje s VAL 142 Cb 0.00 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.22 1sje s VAL 142 CO 0.00 0.28 0.27 -0.69 0.00 0.00 0.00 175.10 174.97 1sje s VAL 143 N 0.03 -0.02 0.17 2.92 1.01 -0.46 -5.00 120.40 119.04 1sje s VAL 143 Ca 0.49 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.66 1sje s VAL 143 Cb -0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1sje s VAL 143 CO 0.31 0.04 -0.21 -0.55 0.00 0.00 0.00 175.10 174.69 1sje s SER 144 N 0.85 3.64 0.00 3.32 0.15 -1.26 0.46 113.70 120.86 1sje s SER 144 Ca -0.06 -0.74 0.28 0.00 0.70 0.00 0.00 55.95 56.13 1sje s SER 144 Cb -0.07 -0.38 1.06 0.00 -1.71 0.00 0.00 66.02 64.92 1sje s SER 144 CO -0.06 0.14 1.75 0.35 1.20 0.00 0.00 173.24 176.62 1sje n THR 145 N 0.42 0.00 0.00 6.45 -2.24 -0.69 -5.01 114.28 113.21 1sje n THR 145 Ca -0.14 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1sje n THR 145 Cb 0.55 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1sje n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sje n GLY 146 N 1.22 -0.69 3.67 3.38 0.00 -1.26 -4.88 105.19 106.64 1sje n GLY 146 Ca 0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1sje n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sje s LEU 147 N -2.34 4.19 -0.23 0.99 2.96 -1.26 -4.44 118.68 118.55 1sje s LEU 147 Ca 0.00 1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 55.11 1sje s LEU 147 Cb 0.00 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1sje s LEU 147 CO 0.00 -0.42 0.07 -0.63 -1.32 0.00 0.00 176.35 174.04 1sje s ILE 148 N 2.16 4.43 -0.35 6.68 -1.09 0.34 -4.97 121.20 128.40 1sje s ILE 148 Ca 0.41 -0.14 -0.18 0.00 -2.23 0.00 0.00 60.65 58.51 1sje s ILE 148 Cb -0.17 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1sje s ILE 148 CO 0.13 0.37 0.52 -1.58 -1.23 0.00 0.00 174.94 173.15 1sje s GLN 149 N 1.29 3.61 0.00 2.79 0.74 -1.26 -1.74 119.66 125.09 1sje s GLN 149 Ca 0.05 -0.16 0.25 0.00 0.05 0.00 0.00 55.36 55.55 1sje s GLN 149 Cb -0.15 -3.81 1.10 0.00 1.10 0.00 0.00 33.01 31.25 1sje s GLN 149 CO 0.03 -0.65 1.80 0.09 -0.55 0.00 0.00 175.29 176.01 1sje n ASN 150 N 5.76 0.00 0.00 6.67 3.02 -0.33 -4.90 115.26 125.49 1sje n ASN 150 Ca -0.05 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1sje n ASN 150 Cb 0.49 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1sje n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sje n GLY 151 N 1.00 0.82 1.20 7.41 0.00 -1.26 -4.88 105.19 109.48 1sje n GLY 151 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sje n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sje n ASP 152 N 0.00 2.11 -2.94 1.61 5.75 -1.26 -4.94 116.55 116.88 1sje n ASP 152 Ca 0.00 -3.34 -0.19 0.00 -0.01 0.00 0.00 54.79 51.25 1sje n ASP 152 Cb 0.00 -0.44 0.06 0.00 -1.03 0.00 0.00 41.12 39.71 1sje n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1sje n TRP 153 N -0.66 -2.25 -3.87 2.11 7.02 -1.26 -5.01 117.44 113.51 1sje n TRP 153 Ca 0.20 0.78 -0.11 0.00 -1.02 0.00 0.00 57.50 57.34 1sje n TRP 153 Cb 0.85 -4.21 -0.11 0.00 -2.42 0.00 0.00 31.31 25.42 1sje n TRP 153 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1sje s THR 154 N -3.24 0.07 0.28 -0.99 2.01 -1.26 -4.70 115.64 107.81 1sje s THR 154 Ca 0.45 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.96 1sje s THR 154 Cb -0.20 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 71.89 1sje s THR 154 CO 0.56 -0.30 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.81 1sje s PHE 155 N -1.03 1.88 0.14 4.92 0.40 -0.03 -1.19 117.98 123.07 1sje s PHE 155 Ca -0.11 -0.80 -0.21 0.00 -0.60 0.00 0.00 56.93 55.21 1sje s PHE 155 Cb -0.06 -1.12 0.06 0.00 0.51 0.00 0.00 43.02 42.41 1sje s PHE 155 CO 0.01 0.16 0.53 1.14 0.70 0.00 0.00 175.22 177.76 1sje s GLN 156 N -3.79 1.19 -0.11 0.44 -2.07 -0.71 -1.20 119.66 113.42 1sje s GLN 156 Ca 0.31 -0.54 -0.30 0.00 -1.82 0.00 0.00 55.36 53.01 1sje s GLN 156 Cb 0.05 0.54 0.12 0.00 -1.09 0.00 0.00 33.01 32.63 1sje s GLN 156 CO 0.12 -0.50 0.97 -0.08 -1.32 0.00 0.00 175.29 174.48 1sje s THR 157 N -3.69 0.00 -0.08 3.63 -1.32 -0.15 -0.50 115.64 113.53 1sje s THR 157 Ca 0.01 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1sje s THR 157 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1sje s THR 157 CO -0.12 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.36 1sje s LEU 158 N -1.66 1.82 -0.33 9.08 1.43 -1.26 -1.90 118.68 125.87 1sje s LEU 158 Ca 0.01 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1sje s LEU 158 Cb -0.01 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.25 1sje s LEU 158 CO -0.02 0.08 0.05 -0.69 0.23 0.00 0.00 176.35 176.00 1sje s VAL 159 N 0.54 1.87 0.60 -1.59 1.01 -0.71 -1.70 120.40 120.43 1sje s VAL 159 Ca -0.16 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 59.66 1sje s VAL 159 Cb -0.17 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1sje s VAL 159 CO 0.06 -0.59 1.02 -0.04 0.00 0.00 0.00 175.10 175.56 1sje s MET 160 N 1.12 3.62 -0.17 2.72 -1.94 0.17 -2.49 119.30 122.33 1sje s MET 160 Ca 0.09 0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 54.85 1sje s MET 160 Cb -0.19 -2.08 0.08 0.00 2.01 0.00 0.00 34.83 34.65 1sje s MET 160 CO -0.12 -0.55 0.22 -1.17 -0.01 0.00 0.00 175.02 173.39 1sje s LEU 161 N -4.97 -0.14 -0.01 -0.03 2.96 -0.17 -1.35 118.68 114.97 1sje s LEU 161 Ca 0.56 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 1sje s LEU 161 Cb -0.11 0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.98 1sje s LEU 161 CO 0.49 -0.30 1.03 -0.70 -1.32 0.00 0.00 176.35 175.55 1sje s GLU 162 N 2.34 4.51 0.14 1.98 2.56 -0.99 -0.91 118.70 128.34 1sje s GLU 162 Ca 0.05 1.48 0.01 0.00 0.00 0.00 0.00 54.97 56.52 1sje s GLU 162 Cb -0.14 -3.46 -0.04 0.00 2.00 0.00 0.00 34.13 32.49 1sje s GLU 162 CO -0.10 -0.14 0.00 0.95 -0.56 0.00 0.00 175.26 175.41 1sje s THR 163 N 1.21 0.51 -0.71 -1.70 -4.23 -0.87 -4.83 115.64 105.01 1sje s THR 163 Ca 0.53 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1sje s THR 163 Cb -0.22 -1.99 0.17 0.00 1.34 0.00 0.00 72.50 71.80 1sje s THR 163 CO 0.27 -0.57 0.50 -0.69 -0.54 0.00 0.00 174.62 173.58 1sje s VAL 164 N -3.77 3.02 0.19 2.29 1.01 -1.26 -0.65 120.40 121.23 1sje s VAL 164 Ca 0.21 -4.17 -0.33 0.00 0.00 0.00 0.00 61.98 57.69 1sje s VAL 164 Cb 0.06 -2.98 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 1sje s VAL 164 CO 0.01 -1.00 1.39 -0.81 0.00 0.00 0.00 175.10 174.70 1sje n PRO 165 N 2.10 1.77 -4.04 2.72 -0.04 -1.26 -5.03 135.00 131.22 1sje n PRO 165 Ca 0.19 0.63 -0.23 0.00 -0.04 0.00 0.00 63.50 64.05 1sje n PRO 165 Cb 0.35 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.35 1sje n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sje s ARG 166 N 0.05 1.01 -0.12 0.54 0.52 -1.26 -5.07 118.95 114.62 1sje s ARG 166 Ca 0.74 -0.11 -0.41 0.00 -0.52 0.00 0.00 55.73 55.43 1sje s ARG 166 Cb -0.74 -1.10 -0.19 0.00 0.52 0.00 0.00 34.95 33.44 1sje s ARG 166 CO 0.47 -0.17 1.30 0.45 0.02 0.00 0.00 175.30 177.36 1sje n SER 167 N 4.54 0.79 0.00 0.23 2.88 -1.26 -1.34 113.62 119.46 1sje n SER 167 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1sje n SER 167 Cb 0.50 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1sje n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sje n GLY 168 N 2.48 2.82 3.77 0.46 0.00 -1.26 -5.05 105.19 108.41 1sje n GLY 168 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1sje n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sje s GLU 169 N -0.41 3.27 -0.31 1.61 2.02 -0.45 -4.85 118.70 119.57 1sje s GLU 169 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 54.97 56.74 1sje s GLU 169 Cb 0.00 -2.04 0.09 0.00 0.10 0.00 0.00 34.13 32.29 1sje s GLU 169 CO 0.00 -0.95 0.04 0.08 0.02 0.00 0.00 175.26 174.45 1sje s VAL 170 N -1.66 1.85 -0.38 2.63 1.01 -1.26 -1.72 120.40 120.87 1sje s VAL 170 Ca 0.73 -1.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 1sje s VAL 170 Cb -0.27 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1sje s VAL 170 CO 0.31 -0.52 0.62 -0.31 0.00 0.00 0.00 175.10 175.19 1sje s TYR 171 N 1.14 3.13 -0.08 5.22 2.02 -0.68 -1.40 117.35 126.71 1sje s TYR 171 Ca 0.07 0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.94 1sje s TYR 171 Cb -0.19 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1sje s TYR 171 CO -0.12 -0.68 0.05 0.99 -1.57 0.00 0.00 175.55 174.22 1sje s THR 172 N 2.69 4.71 -0.22 -0.71 2.01 0.79 -0.44 115.64 124.46 1sje s THR 172 Ca 0.23 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 1sje s THR 172 Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1sje s THR 172 CO 0.16 0.56 0.03 0.00 -0.69 0.00 0.00 174.62 174.68 1sje s GLN 174 N 1.24 3.08 -0.12 0.00 0.74 0.24 -2.10 119.66 122.74 1sje s GLN 174 Ca 0.04 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1sje s GLN 174 Cb -0.15 -2.62 0.02 0.00 1.10 0.00 0.00 33.01 31.37 1sje s GLN 174 CO 0.02 0.42 -0.10 0.08 -0.55 0.00 0.00 175.29 175.16 1sje s VAL 175 N -0.18 1.22 -0.15 1.34 1.01 0.58 -0.42 120.40 123.80 1sje s VAL 175 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1sje s VAL 175 Cb -0.13 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1sje s VAL 175 CO 0.03 0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 173.83 1sje s GLU 176 N 1.48 3.51 -0.02 2.72 2.02 -0.07 -0.66 118.70 127.69 1sje s GLU 176 Ca 0.02 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 1sje s GLU 176 Cb -0.13 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.33 1sje s GLU 176 CO -0.07 0.19 0.34 -1.58 0.02 0.00 0.00 175.26 174.16 1sje s HIS 177 N 0.45 -0.23 0.40 1.61 2.46 -1.26 -1.38 115.29 117.34 1sje s HIS 177 Ca -0.06 0.37 0.31 0.00 0.47 0.00 0.00 55.06 56.15 1sje s HIS 177 Cb -0.15 0.12 1.69 0.00 -0.13 0.00 0.00 32.58 34.11 1sje s HIS 177 CO 0.04 -0.40 1.94 -1.35 -2.47 0.00 0.00 174.74 172.50 1sje h PRO 178 N 3.90 0.00 0.00 2.88 0.11 -1.93 -1.70 132.00 135.26 1sje h PRO 178 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sje h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sje h PRO 178 CO 0.39 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.05 1sje n SER 179 N -2.71 0.56 -4.01 -2.05 3.41 -1.26 -4.79 113.62 102.76 1sje n SER 179 Ca -0.02 0.58 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 1sje n SER 179 Cb 0.19 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 63.28 1sje n SER 179 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1sje s VAL 180 N -3.12 0.68 0.37 -3.33 -7.23 -0.64 -4.87 120.40 102.26 1sje s VAL 180 Ca 0.09 -0.36 0.12 0.00 -1.81 0.00 0.00 61.98 60.02 1sje s VAL 180 Cb 0.13 -0.58 0.10 0.00 0.56 0.00 0.00 36.38 36.59 1sje s VAL 180 CO 0.51 0.20 1.84 0.71 -0.31 0.00 0.00 175.10 178.05 1sje h THR 181 N 5.00 1.24 -3.82 5.32 1.35 -1.87 -3.42 112.91 116.71 1sje h THR 181 Ca -0.31 -1.16 -0.42 0.00 -0.55 0.00 0.00 66.41 63.97 1sje h THR 181 Cb 1.18 1.59 -0.20 0.00 -1.73 0.00 0.00 68.15 68.98 1sje h THR 181 CO 0.50 0.34 -0.78 -0.94 -0.25 0.00 0.00 175.52 174.39 1sje s SER 182 N -6.93 1.85 0.51 5.36 1.04 -1.26 -5.11 113.70 109.16 1sje s SER 182 Ca -0.03 -0.69 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1sje s SER 182 Cb 0.15 -0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 1sje s SER 182 CO 0.73 -0.09 1.38 -0.81 0.98 0.00 0.00 173.24 175.42 1sje n PRO 183 N 1.00 1.88 -3.44 4.02 -0.04 -1.26 -4.93 135.00 132.23 1sje n PRO 183 Ca -0.19 0.68 -0.38 0.00 -0.04 0.00 0.00 63.50 63.57 1sje n PRO 183 Cb 0.55 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 1sje n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sje s LEU 184 N -3.12 4.47 -0.01 1.53 1.43 0.17 -4.90 118.68 118.25 1sje s LEU 184 Ca 0.68 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1sje s LEU 184 Cb -0.43 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1sje s LEU 184 CO 0.52 0.28 -0.06 0.42 0.23 0.00 0.00 176.35 177.75 1sje s THR 185 N -0.91 0.46 -0.10 5.49 -4.23 -1.26 -0.30 115.64 114.79 1sje s THR 185 Ca 0.25 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1sje s THR 185 Cb -0.17 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.30 1sje s THR 185 CO 0.14 0.14 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.66 1sje s VAL 186 N -0.05 0.53 0.10 2.29 1.01 -0.89 -4.97 120.40 118.42 1sje s VAL 186 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1sje s VAL 186 Cb -0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1sje s VAL 186 CO -0.00 0.22 0.32 -1.61 0.00 0.00 0.00 175.10 174.03 1sje s GLU 187 N 1.90 3.58 -0.22 2.72 2.02 -1.26 -1.80 118.70 125.64 1sje s GLU 187 Ca 0.04 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 1sje s GLU 187 Cb -0.13 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.19 1sje s GLU 187 CO -0.06 0.53 -0.11 -0.46 0.02 0.00 0.00 175.26 175.18 1sje s TRP 188 N -1.56 2.95 -0.48 1.61 -0.11 0.41 -4.98 118.94 116.78 1sje s TRP 188 Ca 0.37 -1.47 -0.20 0.00 1.22 0.00 0.00 56.10 56.03 1sje s TRP 188 Cb -0.13 -2.02 0.04 0.00 -1.50 0.00 0.00 33.47 29.87 1sje s TRP 188 CO 0.24 -0.72 0.62 1.03 -4.62 0.00 0.00 176.95 173.50 1sje s ARG 189 N 1.34 3.17 0.00 5.86 1.81 -1.26 -1.68 118.95 128.18 1sje s ARG 189 Ca 0.03 -0.71 0.31 0.00 -1.72 0.00 0.00 55.73 53.64 1sje s ARG 189 Cb -0.15 -4.04 1.80 0.00 -0.45 0.00 0.00 34.95 32.11 1sje s ARG 189 CO -0.07 -1.13 2.17 0.00 -0.68 0.00 0.00 175.30 175.58