#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vje h GLU 8 N 0.00 0.00 -0.97 5.55 4.81 -2.02 -2.51 114.58 119.44 1vje h GLU 8 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1vje h GLU 8 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1vje h GLU 8 CO 0.00 0.00 0.62 1.03 -0.73 0.00 0.00 179.01 179.93 1vje h SER 9 N 0.00 0.84 0.50 1.04 0.87 -1.99 -1.47 113.55 113.33 1vje h SER 9 Ca 0.20 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1vje h SER 9 Cb 1.01 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1vje h SER 9 CO -0.00 0.42 0.00 0.49 -0.53 0.00 0.00 176.83 177.21 1vje n PHE 10 N -4.62 0.00 0.68 2.24 3.72 -0.94 -3.13 117.46 115.40 1vje n PHE 10 Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 1vje n PHE 10 Cb 0.41 -0.29 0.15 0.00 -0.94 0.00 0.00 39.48 38.81 1vje n PHE 10 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1vje n ASP 11 N -1.29 0.63 -4.74 4.37 8.00 -0.55 -4.87 116.55 118.10 1vje n ASP 11 Ca 0.12 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 1vje n ASP 11 Cb 0.21 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1vje n ASP 11 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1vje s LEU 12 N -3.83 4.49 -0.77 0.64 2.96 -1.18 -0.93 118.68 120.06 1vje s LEU 12 Ca 0.07 2.07 -0.26 0.00 -0.22 0.00 0.00 54.13 55.79 1vje s LEU 12 Cb 0.15 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.27 1vje s LEU 12 CO 0.74 -0.21 1.25 -0.62 -1.32 0.00 0.00 176.35 176.20 1vje s ASP 13 N -0.11 6.22 0.40 3.68 -1.08 0.11 -4.76 116.67 121.12 1vje s ASP 13 Ca 0.49 -0.69 0.28 0.00 -0.52 0.00 0.00 52.55 52.11 1vje s ASP 13 Cb -0.29 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.00 1vje s ASP 13 CO 0.34 -1.72 1.85 0.45 0.52 0.00 0.00 175.17 176.61 1vje h HIS 14 N 9.91 0.00 0.00 -5.34 3.86 -1.93 -2.14 115.15 119.51 1vje h HIS 14 Ca -0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1vje h HIS 14 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1vje h HIS 14 CO 1.13 0.00 -0.39 1.79 0.86 0.00 0.00 177.93 181.32 1vje h THR 15 N 0.00 0.00 -0.00 2.45 1.35 -1.93 -3.36 112.91 111.41 1vje h THR 15 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1vje h THR 15 Cb 0.18 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1vje h THR 15 CO 0.00 0.00 -0.96 0.29 -0.25 0.00 0.00 175.52 174.60 1vje n LYS 16 N -2.47 0.18 -1.86 4.72 5.02 -0.81 -4.97 118.16 117.97 1vje n LYS 16 Ca 0.03 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1vje n LYS 16 Cb 0.48 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1vje n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1vje s VAL 17 N -2.94 4.47 -0.38 -0.18 -7.23 -1.23 -5.05 120.40 107.86 1vje s VAL 17 Ca 0.08 0.80 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 1vje s VAL 17 Cb 0.16 -3.78 0.11 0.00 0.56 0.00 0.00 36.38 33.43 1vje s VAL 17 CO 0.84 -1.05 0.14 -0.54 -0.31 0.00 0.00 175.10 174.19 1vje s LYS 18 N -5.21 1.19 0.64 4.82 -0.14 -1.26 -4.97 119.74 114.82 1vje s LYS 18 Ca 0.56 -1.69 -0.13 0.00 -1.36 0.00 0.00 55.97 53.34 1vje s LYS 18 Cb -0.11 -2.51 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1vje s LYS 18 CO 0.54 -1.04 1.05 0.00 -0.76 0.00 0.00 175.35 175.14 1vje s ALA 19 N 0.89 2.77 0.50 5.17 0.00 -1.26 -4.39 121.76 125.44 1vje s ALA 19 Ca 0.13 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1vje s ALA 19 Cb -0.21 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1vje s ALA 19 CO -0.11 -0.96 0.90 -1.25 0.00 0.00 0.00 175.76 174.35 1vje s PRO 20 N -4.63 3.75 0.31 0.00 0.04 -1.26 -4.82 135.00 128.39 1vje s PRO 20 Ca 0.60 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1vje s PRO 20 Cb -0.14 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.21 1vje s PRO 20 CO 0.47 -0.26 0.81 1.52 0.04 0.00 0.00 177.00 179.57 1vje s TYR 21 N -2.70 -0.01 -0.05 0.56 -0.85 -0.66 -3.68 117.35 109.96 1vje s TYR 21 Ca 0.54 -0.53 0.06 0.00 -0.52 0.00 0.00 57.07 56.62 1vje s TYR 21 Cb -0.10 0.77 -0.01 0.00 0.38 0.00 0.00 41.96 42.99 1vje s TYR 21 CO 0.39 -1.33 -0.24 0.08 -1.52 0.00 0.00 175.55 172.93 1vje s VAL 22 N -2.93 1.94 -0.06 -3.49 1.01 -0.63 -0.48 120.40 115.77 1vje s VAL 22 Ca 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1vje s VAL 22 Cb -0.05 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1vje s VAL 22 CO 0.09 0.54 0.14 -0.60 0.00 0.00 0.00 175.10 175.27 1vje s ARG 23 N -0.21 0.15 -0.16 2.72 3.52 -0.24 -1.07 118.95 123.65 1vje s ARG 23 Ca -0.01 0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.53 1vje s ARG 23 Cb -0.13 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1vje s ARG 23 CO 0.03 -0.05 1.41 -1.17 -0.81 0.00 0.00 175.30 174.71 1vje s LEU 24 N 0.32 4.13 0.09 -0.88 2.96 -1.26 0.11 118.68 124.15 1vje s LEU 24 Ca -0.02 1.75 0.15 0.00 -0.22 0.00 0.00 54.13 55.79 1vje s LEU 24 Cb -0.03 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 1vje s LEU 24 CO -0.01 -0.92 0.97 0.00 -1.32 0.00 0.00 176.35 175.07 1vje h ALA 25 N 9.04 0.65 0.00 5.97 0.00 -0.72 -3.47 119.26 130.73 1vje h ALA 25 Ca -0.31 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1vje h ALA 25 Cb 1.13 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1vje h ALA 25 CO 0.98 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.63 1vje n GLY 26 N 1.38 0.76 2.88 0.00 0.00 -1.13 -4.96 105.19 104.12 1vje n GLY 26 Ca -0.08 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1vje n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vje s VAL 27 N -2.00 0.37 0.19 1.61 1.01 -1.26 -0.79 120.40 119.53 1vje s VAL 27 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.01 1vje s VAL 27 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1vje s VAL 27 CO 0.00 0.17 -0.20 -0.54 0.00 0.00 0.00 175.10 174.52 1vje s LYS 28 N 0.70 1.41 0.07 2.72 1.02 -0.13 -4.95 119.74 120.58 1vje s LYS 28 Ca -0.08 -1.50 0.08 0.00 0.02 0.00 0.00 55.97 54.49 1vje s LYS 28 Cb -0.11 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1vje s LYS 28 CO -0.01 0.32 -0.18 0.95 -0.92 0.00 0.00 175.35 175.52 1vje s THR 29 N -2.00 2.82 0.90 2.17 -4.23 -1.26 -0.39 115.64 113.66 1vje s THR 29 Ca 0.19 -1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 59.28 1vje s THR 29 Cb -0.06 -2.23 0.14 0.00 1.34 0.00 0.00 72.50 71.69 1vje s THR 29 CO 0.09 0.25 1.18 0.42 -0.54 0.00 0.00 174.62 176.03 1vje s THR 30 N -1.00 1.98 0.36 3.99 -4.23 0.24 -4.90 115.64 112.07 1vje s THR 30 Ca 0.16 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 1vje s THR 30 Cb -0.11 -2.87 0.30 0.00 1.34 0.00 0.00 72.50 71.16 1vje s THR 30 CO 0.07 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.44 1vje h PRO 31 N -1.43 0.74 0.00 3.99 0.11 -2.00 0.17 132.00 133.58 1vje h PRO 31 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vje h PRO 31 Cb 1.31 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1vje h PRO 31 CO 0.58 0.49 -0.03 0.87 -0.21 0.00 0.00 178.00 179.69 1vje h LYS 32 N 0.76 0.00 0.00 1.05 1.79 -2.05 -3.47 116.57 114.65 1vje h LYS 32 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1vje h LYS 32 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1vje h LYS 32 CO -0.12 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.66 1vje n GLY 33 N 1.28 1.46 3.75 3.86 0.00 0.05 -5.10 105.19 110.48 1vje n GLY 33 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1vje n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vje s ASP 34 N -2.00 7.41 0.04 1.61 1.01 -1.26 -4.71 116.67 118.78 1vje s ASP 34 Ca 0.00 1.68 -0.20 0.00 0.71 0.00 0.00 52.55 54.74 1vje s ASP 34 Cb 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1vje s ASP 34 CO 0.00 0.05 0.60 -1.10 0.21 0.00 0.00 175.17 174.92 1vje s GLN 35 N -0.42 4.28 -0.28 8.23 -0.21 -1.26 -0.59 119.66 129.41 1vje s GLN 35 Ca 0.41 0.76 0.01 0.00 0.02 0.00 0.00 55.36 56.57 1vje s GLN 35 Cb -0.23 -3.29 0.06 0.00 1.00 0.00 0.00 33.01 30.55 1vje s GLN 35 CO 0.27 0.50 -0.07 0.42 -2.12 0.00 0.00 175.29 174.30 1vje s ILE 36 N -0.66 2.47 -0.07 1.08 -1.09 0.48 -1.16 121.20 122.25 1vje s ILE 36 Ca 0.30 -1.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.11 1vje s ILE 36 Cb -0.19 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1vje s ILE 36 CO 0.19 -0.07 0.15 -0.44 -1.23 0.00 0.00 174.94 173.54 1vje s SER 37 N 1.16 6.34 -0.07 3.58 0.01 0.19 -0.95 113.70 123.96 1vje s SER 37 Ca -0.07 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1vje s SER 37 Cb -0.20 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1vje s SER 37 CO -0.04 0.35 -0.24 -0.75 0.41 0.00 0.00 173.24 172.97 1vje s LYS 38 N -1.39 2.68 0.02 12.44 2.20 0.03 0.02 119.74 135.74 1vje s LYS 38 Ca 0.20 -0.88 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1vje s LYS 38 Cb -0.12 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1vje s LYS 38 CO 0.10 0.31 -0.25 0.71 -0.36 0.00 0.00 175.35 175.86 1vje s TYR 39 N 0.01 2.36 -0.35 4.03 2.02 0.11 0.04 117.35 125.58 1vje s TYR 39 Ca -0.09 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 1vje s TYR 39 Cb -0.15 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1vje s TYR 39 CO 0.05 0.09 0.40 0.34 -1.57 0.00 0.00 175.55 174.87 1vje s ASP 40 N -1.05 6.22 -0.52 2.29 -1.08 0.12 -1.17 116.67 121.48 1vje s ASP 40 Ca 0.11 -0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 51.84 1vje s ASP 40 Cb -0.10 -2.22 0.13 0.00 -1.46 0.00 0.00 42.92 39.27 1vje s ASP 40 CO 0.01 -0.39 0.42 -0.76 0.52 0.00 0.00 175.17 174.97 1vje s LEU 41 N 2.12 5.87 -0.26 -1.34 1.43 0.00 -1.08 118.68 125.43 1vje s LEU 41 Ca 0.14 -1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 51.15 1vje s LEU 41 Cb -0.16 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1vje s LEU 41 CO 0.12 -0.71 0.17 -0.60 0.23 0.00 0.00 176.35 175.56 1vje s ARG 42 N 1.28 3.97 -0.19 1.70 6.06 0.37 -1.00 118.95 131.15 1vje s ARG 42 Ca 0.06 -0.32 -0.21 0.00 -2.50 0.00 0.00 55.73 52.77 1vje s ARG 42 Cb -0.26 -3.60 -0.21 0.00 0.06 0.00 0.00 34.95 30.94 1vje s ARG 42 CO -0.00 -0.10 0.32 0.74 -2.50 0.00 0.00 175.30 173.75 1vje h PHE 43 N 8.08 0.07 -3.13 5.12 0.04 -1.25 -1.77 116.94 124.11 1vje h PHE 43 Ca -0.36 -0.05 -0.63 0.00 2.80 0.00 0.00 57.97 59.72 1vje h PHE 43 Cb 1.18 -0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1vje h PHE 43 CO 0.72 1.46 -0.72 -0.51 -0.60 0.00 0.00 178.31 178.67 1vje s LEU 44 N -7.82 3.03 0.17 1.54 1.43 -0.45 -4.21 118.68 112.37 1vje s LEU 44 Ca -0.26 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.02 1vje s LEU 44 Cb 0.05 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1vje s LEU 44 CO 0.63 0.12 1.41 -1.58 0.23 0.00 0.00 176.35 177.16 1vje s GLN 45 N -2.69 4.31 0.16 1.70 2.00 -1.26 -4.80 119.66 119.08 1vje s GLN 45 Ca 0.24 2.16 -0.34 0.00 -2.00 0.00 0.00 55.36 55.42 1vje s GLN 45 Cb -0.09 -3.19 -0.15 0.00 0.80 0.00 0.00 33.01 30.38 1vje s GLN 45 CO 0.15 -0.41 1.46 -2.30 -0.50 0.00 0.00 175.29 173.69 1vje n PRO 46 N 3.28 1.82 -1.38 1.67 -0.02 -1.26 -2.06 135.00 137.04 1vje n PRO 46 Ca 0.09 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1vje n PRO 46 Cb 0.41 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1vje n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vje n ASN 47 N 2.84 -4.75 -0.59 2.55 3.02 -1.26 -4.86 115.26 112.21 1vje n ASN 47 Ca 0.16 0.33 0.05 0.00 -0.03 0.00 0.00 54.58 55.09 1vje n ASN 47 Cb 0.27 -3.41 0.13 0.00 -0.61 0.00 0.00 39.78 36.16 1vje n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vje n GLN 48 N -2.40 2.60 0.00 3.52 1.13 -0.88 -5.06 117.38 116.29 1vje n GLN 48 Ca -0.13 -1.92 0.00 0.00 -1.94 0.00 0.00 57.00 53.01 1vje n GLN 48 Cb 0.46 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1vje n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vje n GLY 49 N 0.48 4.02 3.12 1.08 0.00 -1.26 -5.00 105.19 107.64 1vje n GLY 49 Ca 0.10 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1vje n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vje s ALA 50 N -2.00 0.78 0.20 4.61 0.00 -1.26 -4.85 121.76 119.24 1vje s ALA 50 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1vje s ALA 50 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 1vje s ALA 50 CO 0.00 -0.18 1.11 0.42 0.00 0.00 0.00 175.76 177.11 1vje s ILE 51 N -2.89 3.74 0.55 0.00 1.01 0.50 -4.99 121.20 119.12 1vje s ILE 51 Ca 0.04 1.55 -0.21 0.00 0.00 0.00 0.00 60.65 62.03 1vje s ILE 51 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1vje s ILE 51 CO -0.04 0.29 1.29 -0.62 0.00 0.00 0.00 174.94 175.87 1vje s ASP 52 N -0.27 5.32 0.27 3.58 2.15 -1.26 -4.71 116.67 121.74 1vje s ASP 52 Ca 0.49 2.61 -0.01 0.00 0.43 0.00 0.00 52.55 56.07 1vje s ASP 52 Cb -0.30 -2.62 0.50 0.00 -0.30 0.00 0.00 42.92 40.19 1vje s ASP 52 CO 0.36 -1.53 1.82 -0.65 -0.17 0.00 0.00 175.17 175.01 1vje h PRO 53 N 1.35 0.86 -0.50 4.34 0.11 -1.98 0.37 132.00 136.55 1vje h PRO 53 Ca -0.51 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1vje h PRO 53 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1vje h PRO 53 CO 0.57 0.57 0.18 0.00 -0.21 0.00 0.00 178.00 179.11 1vje h ALA 54 N 1.51 0.66 -0.58 -0.75 0.00 -1.90 -1.85 119.26 116.35 1vje h ALA 54 Ca 0.46 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1vje h ALA 54 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1vje h ALA 54 CO -0.27 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.31 1vje h ALA 55 N 1.03 0.96 0.00 0.00 0.00 -1.50 -1.55 119.26 118.20 1vje h ALA 55 Ca 0.16 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1vje h ALA 55 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1vje h ALA 55 CO -0.01 0.64 -0.42 0.97 0.00 0.00 0.00 179.25 180.43 1vje h ILE 56 N 0.91 0.97 -0.41 0.00 2.10 -0.82 0.15 117.51 120.43 1vje h ILE 56 Ca 0.17 -1.63 -0.08 0.00 1.08 0.00 0.00 64.86 64.41 1vje h ILE 56 Cb 0.48 1.97 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1vje h ILE 56 CO 0.02 0.41 -0.05 -0.74 -1.08 0.00 0.00 178.15 176.71 1vje h HIS 57 N 0.00 0.83 -0.49 2.19 2.76 -1.02 0.18 115.15 119.61 1vje h HIS 57 Ca -0.00 -0.16 -0.10 0.00 -2.20 0.00 0.00 60.37 57.90 1vje h HIS 57 Cb 0.94 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1vje h HIS 57 CO 0.00 0.86 -0.10 1.15 -1.30 0.00 0.00 177.93 178.54 1vje h THR 58 N 0.57 1.27 -0.97 6.26 2.02 -0.90 -1.98 112.91 119.17 1vje h THR 58 Ca 0.11 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.12 1vje h THR 58 Cb 0.56 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1vje h THR 58 CO 0.03 0.43 0.63 -0.07 0.37 0.00 0.00 175.52 176.91 1vje h LEU 59 N 0.78 1.02 -0.21 2.58 3.38 -0.71 0.12 115.31 122.26 1vje h LEU 59 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vje h LEU 59 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1vje h LEU 59 CO 0.04 0.66 0.10 -0.08 0.09 0.00 0.00 178.44 179.26 1vje h GLU 60 N 1.16 0.31 -0.76 1.13 4.81 -0.54 0.18 114.58 120.86 1vje h GLU 60 Ca 0.41 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1vje h GLU 60 Cb 0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1vje h GLU 60 CO -0.15 0.32 0.28 0.45 -0.73 0.00 0.00 179.01 179.18 1vje h HIS 61 N 0.22 1.18 -0.08 0.92 3.86 -0.79 -0.95 115.15 119.51 1vje h HIS 61 Ca 0.07 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 1vje h HIS 61 Cb 0.11 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.24 1vje h HIS 61 CO -0.03 0.90 -0.37 -0.07 0.86 0.00 0.00 177.93 179.22 1vje h LEU 62 N 1.12 0.47 -0.90 2.43 3.38 -0.82 -3.27 115.31 117.72 1vje h LEU 62 Ca 0.25 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1vje h LEU 62 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1vje h LEU 62 CO -0.02 1.03 -0.23 -0.07 0.09 0.00 0.00 178.44 179.25 1vje h LEU 63 N -0.07 0.00 -0.45 1.67 3.38 -0.62 -0.86 115.31 118.36 1vje h LEU 63 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1vje h LEU 63 Cb 1.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1vje h LEU 63 CO 0.08 0.23 0.07 0.00 0.09 0.00 0.00 178.44 178.90 1vje h ALA 64 N 1.77 0.48 0.21 1.53 0.00 -1.21 0.41 119.26 122.45 1vje h ALA 64 Ca -0.00 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1vje h ALA 64 Cb 0.84 0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.81 1vje h ALA 64 CO 0.03 -0.34 -1.25 0.78 0.00 0.00 0.00 179.25 178.48 1vje h GLY 65 N 0.19 0.50 1.89 0.00 0.00 -1.59 -3.27 103.07 100.79 1vje h GLY 65 Ca 0.23 -1.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.14 1vje h GLY 65 CO -0.32 1.12 -0.61 -0.97 0.00 0.00 0.00 176.54 175.76 1vje h TYR 66 N -0.06 0.15 -0.47 5.60 0.99 -1.02 -1.07 116.97 121.07 1vje h TYR 66 Ca -0.22 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.36 1vje h TYR 66 Cb 1.96 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 39.65 1vje h TYR 66 CO 0.15 0.70 -0.06 0.52 -0.00 0.00 0.00 178.16 179.47 1vje h MET 67 N 0.08 0.87 -0.09 4.88 2.86 -1.09 -2.57 114.93 119.88 1vje h MET 67 Ca -0.01 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 1vje h MET 67 Cb 1.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1vje h MET 67 CO 0.09 0.94 -0.10 0.00 1.06 0.00 0.00 176.91 178.90 1vje h ARG 68 N 0.72 0.13 0.00 1.72 3.08 -1.49 -0.60 114.38 117.93 1vje h ARG 68 Ca 0.13 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1vje h ARG 68 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1vje h ARG 68 CO 0.04 0.24 -0.35 -0.44 -1.07 0.00 0.00 179.97 178.39 1vje h ASP 69 N 0.13 0.00 -0.02 7.04 3.32 -0.82 -3.25 116.42 122.81 1vje h ASP 69 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1vje h ASP 69 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1vje h ASP 69 CO 0.01 0.35 0.00 1.41 -1.72 0.00 0.00 179.24 179.29 1vje n HIS 70 N -3.66 0.02 -3.73 4.55 8.25 -0.83 -4.98 115.22 114.83 1vje n HIS 70 Ca -0.01 -0.02 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1vje n HIS 70 Cb 0.45 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 1vje n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1vje s LEU 71 N -0.80 0.40 0.49 2.41 2.96 -0.29 -4.75 118.68 119.10 1vje s LEU 71 Ca 0.11 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 54.59 1vje s LEU 71 Cb 0.08 1.04 -0.06 0.00 0.50 0.00 0.00 46.19 47.76 1vje s LEU 71 CO 0.12 -0.15 0.88 -1.61 -1.32 0.00 0.00 176.35 174.27 1vje s GLU 72 N 0.90 3.75 -0.22 1.98 2.02 -1.26 -4.21 118.70 121.64 1vje s GLU 72 Ca -0.06 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.54 1vje s GLU 72 Cb -0.07 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1vje s GLU 72 CO -0.06 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1vje n GLY 73 N -1.84 0.55 3.73 -1.39 0.00 -1.26 -4.78 105.19 100.20 1vje n GLY 73 Ca 0.04 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1vje n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vje s VAL 74 N -1.98 2.76 -0.24 1.61 1.01 -1.26 0.13 120.40 122.42 1vje s VAL 74 Ca 0.00 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1vje s VAL 74 Cb 0.00 -3.37 -0.18 0.00 0.00 0.00 0.00 36.38 32.82 1vje s VAL 74 CO 0.00 0.07 -0.16 0.52 0.00 0.00 0.00 175.10 175.53 1vje n VAL 75 N 3.17 1.45 -3.54 2.92 0.31 0.51 -4.91 118.33 118.23 1vje n VAL 75 Ca 0.10 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 1vje n VAL 75 Cb 0.40 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 1vje n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vje s ASP 76 N -6.26 -0.48 -0.19 4.52 2.15 -1.19 -4.98 116.67 110.24 1vje s ASP 76 Ca -0.29 0.45 -0.01 0.00 0.43 0.00 0.00 52.55 53.12 1vje s ASP 76 Cb 0.08 0.41 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 1vje s ASP 76 CO 0.64 -0.49 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.44 1vje s VAL 77 N -1.48 0.94 0.10 1.11 1.01 -1.26 -1.71 120.40 119.11 1vje s VAL 77 Ca -0.04 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.29 1vje s VAL 77 Cb -0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1vje s VAL 77 CO 0.03 -0.08 -0.22 -0.44 0.00 0.00 0.00 175.10 174.39 1vje s SER 78 N 1.68 2.65 0.50 3.32 0.01 -0.02 -4.82 113.70 117.02 1vje s SER 78 Ca -0.02 -0.68 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 1vje s SER 78 Cb -0.17 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 1vje s SER 78 CO -0.07 0.09 1.07 -2.16 0.41 0.00 0.00 173.24 172.57 1vje s PRO 79 N -1.86 3.68 0.34 12.44 0.04 -1.26 -0.46 135.00 147.91 1vje s PRO 79 Ca 0.08 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1vje s PRO 79 Cb -0.10 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1vje s PRO 79 CO 0.04 -0.55 0.80 -1.64 0.04 0.00 0.00 177.00 175.69 1vje s MET 80 N -3.21 4.11 0.00 4.56 -1.94 -0.32 -4.75 119.30 117.75 1vje s MET 80 Ca 0.69 0.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.50 1vje s MET 80 Cb -0.19 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.22 1vje s MET 80 CO 0.23 0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.78 1vje n GLY 81 N -0.28 0.39 0.69 -0.03 0.00 -1.26 -4.60 105.19 100.10 1vje n GLY 81 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vje n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vje n ARG 83 N 1.78 0.00 0.00 1.61 1.74 -1.26 -5.13 116.66 115.40 1vje n ARG 83 Ca 0.00 -0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.10 1vje n ARG 83 Cb 0.00 0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1vje n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vje n THR 84 N -0.00 0.00 -3.80 0.55 -2.24 -1.26 -0.37 114.28 107.16 1vje n THR 84 Ca -0.00 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 1vje n THR 84 Cb 0.30 1.08 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1vje n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vje n GLY 85 N 0.66 0.70 3.27 3.38 0.00 -1.26 -0.78 105.19 111.15 1vje n GLY 85 Ca 0.03 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 1vje n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vje s MET 86 N -2.02 1.08 -0.08 1.61 1.00 -0.17 -1.18 119.30 119.54 1vje s MET 86 Ca 0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 55.69 54.63 1vje s MET 86 Cb -0.01 -1.19 -0.04 0.00 0.00 0.00 0.00 34.83 33.59 1vje s MET 86 CO 0.02 0.26 0.05 0.71 0.00 0.00 0.00 175.02 176.06 1vje s TYR 87 N -1.54 3.29 -0.06 -0.03 4.12 0.39 -0.82 117.35 122.72 1vje s TYR 87 Ca 0.07 0.28 0.01 0.00 0.02 0.00 0.00 57.07 57.45 1vje s TYR 87 Cb -0.08 -1.82 0.02 0.00 -1.52 0.00 0.00 41.96 38.56 1vje s TYR 87 CO 0.04 0.55 -0.06 1.41 0.02 0.00 0.00 175.55 177.52 1vje s MET 88 N -1.09 1.03 -0.14 -0.62 -2.45 -0.32 -0.84 119.30 114.88 1vje s MET 88 Ca 0.16 -0.16 -0.06 0.00 -1.25 0.00 0.00 55.69 54.38 1vje s MET 88 Cb -0.12 -1.01 -0.04 0.00 1.25 0.00 0.00 34.83 34.91 1vje s MET 88 CO 0.05 -0.09 0.06 0.00 1.05 0.00 0.00 175.02 176.09 1vje s ALA 89 N 1.00 3.48 -0.03 4.11 0.00 -0.70 0.05 121.76 129.67 1vje s ALA 89 Ca -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1vje s ALA 89 Cb -0.14 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.20 1vje s ALA 89 CO -0.00 0.41 -0.07 0.08 0.00 0.00 0.00 175.76 176.18 1vje s VAL 90 N -0.36 0.63 -0.47 0.00 1.01 0.10 -0.36 120.40 120.96 1vje s VAL 90 Ca 0.09 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1vje s VAL 90 Cb -0.12 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1vje s VAL 90 CO 0.02 0.21 1.09 -0.63 0.00 0.00 0.00 175.10 175.79 1vje s ILE 91 N 0.34 4.27 0.00 2.22 1.01 0.12 -0.64 121.20 128.52 1vje s ILE 91 Ca -0.05 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.75 1vje s ILE 91 Cb -0.09 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1vje s ILE 91 CO 0.00 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.60 1vje n GLY 92 N 4.83 2.85 3.76 6.18 0.00 -0.31 -4.63 105.19 117.88 1vje n GLY 92 Ca 0.11 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1vje n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vje s GLU 93 N -2.05 3.00 0.19 1.61 8.01 -1.26 -3.79 118.70 124.41 1vje s GLU 93 Ca 0.00 1.64 -0.32 0.00 0.01 0.00 0.00 54.97 56.29 1vje s GLU 93 Cb 0.00 -1.95 -0.15 0.00 -4.31 0.00 0.00 34.13 27.72 1vje s GLU 93 CO 0.00 -1.14 1.27 -2.30 0.01 0.00 0.00 175.26 173.10 1vje n PRO 94 N -1.78 1.50 -2.90 0.39 -0.02 -1.26 -4.93 135.00 126.00 1vje n PRO 94 Ca 0.12 0.54 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1vje n PRO 94 Cb 0.51 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1vje n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vje n ASP 95 N 2.12 -2.13 -0.28 2.55 2.03 -1.26 -5.02 116.55 114.55 1vje n ASP 95 Ca 0.14 -3.03 -0.02 0.00 0.52 0.00 0.00 54.79 52.39 1vje n ASP 95 Cb 0.27 1.09 0.10 0.00 -0.72 0.00 0.00 41.12 41.86 1vje n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1vje h GLU 96 N 4.29 0.93 -0.54 -0.67 5.08 -1.99 -0.08 114.58 121.61 1vje h GLU 96 Ca -0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1vje h GLU 96 Cb 1.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1vje h GLU 96 CO 0.31 0.62 0.23 0.37 -1.00 0.00 0.00 179.01 179.54 1vje h GLN 97 N 0.96 0.80 -0.70 2.33 5.75 -1.98 -0.08 115.11 122.20 1vje h GLN 97 Ca 0.32 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1vje h GLN 97 Cb 0.03 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1vje h GLN 97 CO -0.12 0.69 0.23 0.78 -2.65 0.00 0.00 178.83 177.75 1vje h GLY 98 N 0.74 1.15 1.59 2.39 0.00 -1.87 -1.26 103.07 105.81 1vje h GLY 98 Ca 0.18 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1vje h GLY 98 CO -0.02 0.62 -0.28 -2.08 0.00 0.00 0.00 176.54 174.78 1vje h VAL 99 N 1.04 1.27 -0.40 4.60 2.07 -0.80 -1.51 116.25 122.52 1vje h VAL 99 Ca 0.23 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1vje h VAL 99 Cb 0.28 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1vje h VAL 99 CO -0.01 0.42 0.09 -0.03 0.02 0.00 0.00 177.57 178.06 1vje h MET 100 N 0.41 0.64 -0.80 1.57 -1.53 -0.48 0.11 114.93 114.85 1vje h MET 100 Ca 0.06 -0.16 -0.04 0.00 -3.44 0.00 0.00 59.70 56.12 1vje h MET 100 Cb 0.71 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.64 1vje h MET 100 CO 0.05 0.67 0.33 0.87 0.14 0.00 0.00 176.91 178.98 1vje h LYS 101 N 0.50 1.19 -0.38 0.39 1.79 -1.05 -0.58 116.57 118.44 1vje h LYS 101 Ca 0.12 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1vje h LYS 101 Cb 0.33 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1vje h LYS 101 CO 0.00 0.96 0.12 0.00 -1.08 0.00 0.00 179.45 179.45 1vje h ALA 102 N 1.18 0.50 -0.60 3.86 0.00 -0.96 -1.02 119.26 122.22 1vje h ALA 102 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vje h ALA 102 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1vje h ALA 102 CO -0.02 0.14 0.32 0.35 0.00 0.00 0.00 179.25 180.04 1vje h PHE 103 N 0.47 0.83 -0.30 0.00 3.57 -0.58 0.85 116.94 121.78 1vje h PHE 103 Ca 0.12 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1vje h PHE 103 Cb 0.25 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1vje h PHE 103 CO 0.01 0.60 0.19 1.49 -2.23 0.00 0.00 178.31 178.37 1vje h GLU 104 N 0.81 0.41 -0.45 1.11 4.81 -0.94 0.29 114.58 120.62 1vje h GLU 104 Ca 0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1vje h GLU 104 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1vje h GLU 104 CO -0.03 0.30 0.27 0.00 -0.73 0.00 0.00 179.01 178.82 1vje h ALA 105 N 1.08 0.58 -0.02 2.92 0.00 -0.91 -1.19 119.26 121.71 1vje h ALA 105 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1vje h ALA 105 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1vje h ALA 105 CO -0.02 0.06 -0.23 0.00 0.00 0.00 0.00 179.25 179.07 1vje h ALA 106 N 1.13 1.58 -0.10 0.00 0.00 -0.53 -1.87 119.26 119.46 1vje h ALA 106 Ca 0.16 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1vje h ALA 106 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1vje h ALA 106 CO -0.03 0.31 -0.59 -0.07 0.00 0.00 0.00 179.25 178.87 1vje h LEU 107 N 0.04 0.39 -0.62 0.00 3.38 0.10 0.09 115.31 118.69 1vje h LEU 107 Ca 0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1vje h LEU 107 Cb 0.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1vje h LEU 107 CO 0.03 0.89 0.08 0.11 0.09 0.00 0.00 178.44 179.64 1vje h LYS 108 N 0.26 1.04 -0.78 1.13 1.57 -0.85 0.17 116.57 119.11 1vje h LYS 108 Ca -0.00 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1vje h LYS 108 Cb 1.11 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1vje h LYS 108 CO 0.10 0.98 0.41 -0.44 -0.57 0.00 0.00 179.45 179.94 1vje h ASP 109 N 0.95 0.99 -0.14 0.86 3.45 -1.00 -2.06 116.42 119.47 1vje h ASP 109 Ca 0.19 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 1vje h ASP 109 Cb 0.46 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1vje h ASP 109 CO 0.02 0.82 -0.01 0.74 -1.57 0.00 0.00 179.24 179.23 1vje h THR 110 N 1.09 1.27 -0.33 0.35 2.02 -0.64 -2.13 112.91 114.54 1vje h THR 110 Ca 0.27 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1vje h THR 110 Cb 0.06 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1vje h THR 110 CO -0.04 0.26 0.15 0.00 0.37 0.00 0.00 175.52 176.26 1vje h ALA 111 N 0.74 1.64 -0.57 6.16 0.00 -0.53 -1.75 119.26 124.94 1vje h ALA 111 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vje h ALA 111 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vje h ALA 111 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1vje n GLY 112 N -1.29 1.83 3.57 0.00 0.00 -0.79 -4.87 105.19 103.64 1vje n GLY 112 Ca 0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1vje n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vje s HIS 113 N -1.34 2.09 -1.03 1.61 2.46 -0.66 -4.78 115.29 113.63 1vje s HIS 113 Ca 0.39 0.55 0.10 0.00 0.47 0.00 0.00 55.06 56.57 1vje s HIS 113 Cb 0.22 -4.30 0.19 0.00 -0.13 0.00 0.00 32.58 28.55 1vje s HIS 113 CO 0.25 -2.18 1.04 -0.40 -2.47 0.00 0.00 174.74 170.98 1vje n ASP 114 N 10.33 2.38 -4.96 9.88 5.68 -1.26 -4.98 116.55 133.61 1vje n ASP 114 Ca 0.15 -1.73 -0.22 0.00 -0.50 0.00 0.00 54.79 52.49 1vje n ASP 114 Cb 0.49 -0.11 0.04 0.00 -1.14 0.00 0.00 41.12 40.40 1vje n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1vje s GLN 115 N -0.93 2.54 0.71 0.11 -0.21 -1.26 -5.04 119.66 115.58 1vje s GLN 115 Ca 0.17 -0.61 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 1vje s GLN 115 Cb 0.10 -2.42 0.01 0.00 1.00 0.00 0.00 33.01 31.70 1vje s GLN 115 CO 0.13 -0.78 1.12 -2.30 -2.12 0.00 0.00 175.29 171.35 1vje n PRO 116 N -2.45 0.66 -2.15 2.91 -0.02 -1.26 -4.89 135.00 127.80 1vje n PRO 116 Ca 0.07 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 1vje n PRO 116 Cb 0.60 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1vje n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vje s ILE 117 N -1.72 3.52 0.37 4.25 1.01 -1.26 -4.96 121.20 122.41 1vje s ILE 117 Ca 0.77 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 1vje s ILE 117 Cb -0.35 -3.60 -0.11 0.00 0.01 0.00 0.00 42.46 38.41 1vje s ILE 117 CO 0.47 0.00 1.50 -2.84 0.00 0.00 0.00 174.94 174.07 1vje s PRO 118 N 2.36 4.10 -0.91 2.79 0.02 -1.26 -3.34 135.00 138.76 1vje s PRO 118 Ca 0.66 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.27 1vje s PRO 118 Cb -0.34 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1vje s PRO 118 CO 0.28 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1vje n GLY 119 N 0.57 0.79 3.31 0.52 0.00 -1.26 -4.87 105.19 104.25 1vje n GLY 119 Ca 0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1vje n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vje s VAL 120 N -2.37 4.56 -0.05 1.61 1.01 -1.21 -3.79 120.40 120.16 1vje s VAL 120 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 1vje s VAL 120 Cb 0.00 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.74 1vje s VAL 120 CO 0.00 -0.50 1.07 -0.94 0.00 0.00 0.00 175.10 174.72 1vje s SER 121 N 2.21 -0.22 0.47 3.32 1.04 -1.26 -4.97 113.70 114.29 1vje s SER 121 Ca 0.03 -0.07 0.20 0.00 0.48 0.00 0.00 55.95 56.59 1vje s SER 121 Cb -0.23 0.28 1.15 0.00 0.10 0.00 0.00 66.02 67.32 1vje s SER 121 CO 0.04 -0.47 1.99 -0.08 0.98 0.00 0.00 173.24 175.69 1vje h GLU 122 N 2.00 0.00 -0.18 4.02 4.81 -1.94 -0.95 114.58 122.34 1vje h GLU 122 Ca -0.19 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.85 1vje h GLU 122 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1vje h GLU 122 CO 0.27 0.19 -0.68 -0.07 -0.73 0.00 0.00 179.01 178.00 1vje h LEU 123 N 0.00 0.81 0.00 1.64 3.38 -1.96 -3.37 115.31 115.81 1vje h LEU 123 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1vje h LEU 123 Cb 0.41 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1vje h LEU 123 CO 0.03 1.27 -1.01 -0.62 0.09 0.00 0.00 178.44 178.19 1vje n GLU 124 N -3.94 0.73 -4.10 1.13 1.02 -0.95 -4.99 120.64 109.54 1vje n GLU 124 Ca -0.05 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 56.92 1vje n GLU 124 Cb 0.69 -1.40 -0.13 0.00 -0.02 0.00 0.00 31.44 30.57 1vje n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vje n GLY 126 N 2.49 -1.07 2.58 0.00 0.00 -1.26 -4.06 105.19 103.87 1vje n GLY 126 Ca -0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1vje n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vje n ASN 127 N -1.07 -1.69 0.30 1.61 5.15 -1.26 -5.02 115.26 113.28 1vje n ASN 127 Ca 0.16 -3.34 0.17 0.00 -0.60 0.00 0.00 54.58 50.97 1vje n ASN 127 Cb 0.23 1.16 0.95 0.00 -0.53 0.00 0.00 39.78 41.60 1vje n ASN 127 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1vje h TYR 128 N 3.44 0.00 0.00 1.20 -0.00 -1.84 -1.68 116.97 118.09 1vje h TYR 128 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.62 1vje h TYR 128 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.75 1vje h TYR 128 CO 0.26 0.03 -0.23 0.00 -0.00 0.00 0.00 178.16 178.22 1vje h ARG 129 N 0.00 0.00 -3.26 0.10 3.08 -1.95 -3.40 114.38 108.95 1vje h ARG 129 Ca -0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 1vje h ARG 129 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1vje h ARG 129 CO 0.00 0.23 2.83 -3.47 -1.07 0.00 0.00 179.97 178.49 1vje n ASP 130 N -3.17 6.49 -4.28 7.04 2.03 -0.63 -4.92 116.55 119.10 1vje n ASP 130 Ca 0.03 -2.93 -0.17 0.00 0.52 0.00 0.00 54.79 52.24 1vje n ASP 130 Cb 0.60 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 1vje n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vje s HIS 131 N 1.04 1.47 -0.46 -0.67 3.76 -1.26 -4.46 115.29 114.71 1vje s HIS 131 Ca 0.52 -0.62 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1vje s HIS 131 Cb 0.15 -0.73 0.18 0.00 1.11 0.00 0.00 32.58 33.29 1vje s HIS 131 CO -0.06 0.20 0.62 0.34 -0.85 0.00 0.00 174.74 175.00 1vje s ASP 132 N -2.97 -0.90 0.25 1.40 -1.08 -1.18 -4.80 116.67 107.39 1vje s ASP 132 Ca 0.16 -1.58 -0.03 0.00 -0.52 0.00 0.00 52.55 50.57 1vje s ASP 132 Cb -0.01 1.54 0.31 0.00 -1.46 0.00 0.00 42.92 43.29 1vje s ASP 132 CO 0.04 -0.12 1.77 0.25 0.52 0.00 0.00 175.17 177.63 1vje h LEU 133 N 5.86 0.84 -0.84 -1.34 5.85 -1.93 -1.32 115.31 122.43 1vje h LEU 133 Ca 0.08 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1vje h LEU 133 Cb 1.10 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1vje h LEU 133 CO 0.09 0.85 0.53 0.00 -0.34 0.00 0.00 178.44 179.58 1vje h ALA 134 N 1.25 1.06 -0.34 1.25 0.00 -1.96 -0.37 119.26 120.15 1vje h ALA 134 Ca 0.17 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1vje h ALA 134 Cb 0.39 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vje h ALA 134 CO 0.01 0.50 -0.41 0.00 0.00 0.00 0.00 179.25 179.34 1vje h ALA 135 N 1.29 0.50 -0.63 0.00 0.00 -1.93 -2.24 119.26 116.26 1vje h ALA 135 Ca 0.30 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1vje h ALA 135 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1vje h ALA 135 CO -0.06 0.62 0.26 0.00 0.00 0.00 0.00 179.25 180.07 1vje h ALA 136 N 0.73 0.81 -0.60 0.00 0.00 -0.90 0.89 119.26 120.19 1vje h ALA 136 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1vje h ALA 136 Cb 1.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1vje h ALA 136 CO 0.10 0.42 0.27 0.00 0.00 0.00 0.00 179.25 180.04 1vje h ARG 137 N 0.87 0.88 -0.56 0.00 3.08 -1.01 -1.83 114.38 115.82 1vje h ARG 137 Ca 0.21 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1vje h ARG 137 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vje h ARG 137 CO -0.02 0.73 -0.04 0.37 -1.07 0.00 0.00 179.97 179.94 1vje h GLN 138 N 0.83 1.02 -0.78 0.04 5.75 -0.90 -0.41 115.11 120.66 1vje h GLN 138 Ca 0.20 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1vje h GLN 138 Cb 0.16 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1vje h GLN 138 CO -0.02 1.03 0.44 0.45 -2.65 0.00 0.00 178.83 178.08 1vje h HIS 139 N 0.91 1.06 -0.34 3.99 3.86 -0.49 0.23 115.15 124.36 1vje h HIS 139 Ca 0.15 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1vje h HIS 139 Cb 0.60 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1vje h HIS 139 CO 0.04 0.72 0.03 0.00 0.86 0.00 0.00 177.93 179.59 1vje h ALA 140 N 1.40 0.46 -0.71 2.45 0.00 -0.94 -1.90 119.26 120.01 1vje h ALA 140 Ca 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1vje h ALA 140 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1vje h ALA 140 CO -0.05 0.19 0.35 -0.09 0.00 0.00 0.00 179.25 179.65 1vje h ARG 141 N 0.41 1.00 -0.56 0.00 9.65 -0.60 -2.02 114.38 122.26 1vje h ARG 141 Ca 0.10 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1vje h ARG 141 Cb 0.40 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1vje h ARG 141 CO 0.01 0.77 0.33 -0.44 2.80 0.00 0.00 179.97 183.44 1vje h ASP 142 N 1.00 0.68 -0.34 -3.80 3.32 -0.33 0.18 116.42 117.12 1vje h ASP 142 Ca 0.25 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1vje h ASP 142 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1vje h ASP 142 CO -0.03 0.54 0.20 0.58 -1.72 0.00 0.00 179.24 178.80 1vje h VAL 143 N 0.75 1.03 -0.83 -1.35 2.07 -0.95 -0.95 116.25 116.03 1vje h VAL 143 Ca 0.20 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1vje h VAL 143 Cb -0.01 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1vje h VAL 143 CO -0.04 0.07 0.46 -0.07 0.02 0.00 0.00 177.57 178.02 1vje h LEU 144 N 0.40 1.03 -0.61 2.57 3.38 -0.96 0.49 115.31 121.61 1vje h LEU 144 Ca 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1vje h LEU 144 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1vje h LEU 144 CO -0.07 0.82 0.30 0.44 0.09 0.00 0.00 178.44 180.03 1vje h ASP 145 N 1.16 0.79 -0.18 -0.43 3.32 -0.30 -3.12 116.42 117.65 1vje h ASP 145 Ca 0.29 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 1vje h ASP 145 Cb 0.02 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1vje h ASP 145 CO -0.05 0.69 -0.68 1.56 -1.72 0.00 0.00 179.24 179.04 1vje h GLN 146 N 0.83 0.79 0.00 3.56 4.20 -0.82 -3.50 115.11 120.16 1vje h GLN 146 Ca 0.21 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1vje h GLN 146 Cb 0.10 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1vje h GLN 146 CO -0.03 1.22 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 1vje n GLY 147 N 0.62 1.88 3.92 3.46 0.00 0.13 -5.01 105.19 110.19 1vje n GLY 147 Ca -0.07 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 1vje n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vje s LEU 148 N 0.00 3.35 0.19 0.99 1.43 -1.26 -4.49 118.68 118.88 1vje s LEU 148 Ca 0.00 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 1vje s LEU 148 Cb 0.00 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.67 1vje s LEU 148 CO 0.00 -0.94 0.48 -1.59 0.23 0.00 0.00 176.35 174.53 1vje s LYS 149 N -4.90 1.33 -0.25 1.70 0.00 -1.24 -5.02 119.74 111.36 1vje s LYS 149 Ca 0.52 -0.92 -0.21 0.00 0.00 0.00 0.00 55.97 55.36 1vje s LYS 149 Cb -0.10 0.49 -0.02 0.00 0.00 0.00 0.00 37.83 38.20 1vje s LYS 149 CO 0.44 -0.55 0.65 0.08 0.00 0.00 0.00 175.35 175.97 1vje s VAL 150 N -3.89 4.97 -0.14 1.79 1.01 -1.26 -1.60 120.40 121.28 1vje s VAL 150 Ca 0.11 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 1vje s VAL 150 Cb -0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1vje s VAL 150 CO -0.02 0.02 0.38 -1.58 0.00 0.00 0.00 175.10 173.89 1vje s GLN 151 N 2.51 4.29 0.43 2.72 2.00 -0.24 -4.95 119.66 126.43 1vje s GLN 151 Ca 0.27 0.25 -0.24 0.00 -2.00 0.00 0.00 55.36 53.64 1vje s GLN 151 Cb -0.15 -3.44 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 1vje s GLN 151 CO 0.08 0.19 1.18 -2.00 -0.50 0.00 0.00 175.29 174.24 1vje s GLU 152 N 0.58 3.89 -0.27 1.67 2.12 -1.26 -4.63 118.70 120.80 1vje s GLU 152 Ca 0.21 1.83 -0.27 0.00 0.36 0.00 0.00 54.97 57.09 1vje s GLU 152 Cb -0.14 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1vje s GLU 152 CO 0.07 -0.46 0.95 0.99 -0.54 0.00 0.00 175.26 176.27 1vje s THR 153 N -1.47 4.70 -0.35 -1.70 2.01 -1.26 -4.95 115.64 112.62 1vje s THR 153 Ca 0.61 1.68 -0.10 0.00 0.31 0.00 0.00 61.69 64.19 1vje s THR 153 Cb -0.30 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 67.97 1vje s THR 153 CO 0.37 -0.24 0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 1vje s ILE 154 N 3.17 4.46 0.44 1.82 -1.09 -1.26 -5.07 121.20 123.67 1vje s ILE 154 Ca 0.40 -0.76 -0.08 0.00 -2.23 0.00 0.00 60.65 57.98 1vje s ILE 154 Cb -0.14 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1vje s ILE 154 CO 0.10 -0.13 0.78 -0.76 -1.23 0.00 0.00 174.94 173.70 1vje s LEU 155 N 1.55 3.72 0.00 2.97 1.43 -1.26 -0.71 118.68 126.38 1vje s LEU 155 Ca 0.02 1.02 0.30 0.00 -1.03 0.00 0.00 54.13 54.45 1vje s LEU 155 Cb -0.18 -3.94 1.79 0.00 0.03 0.00 0.00 46.19 43.88 1vje s LEU 155 CO 0.06 -0.49 2.12 0.18 0.23 0.00 0.00 176.35 178.45