#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee n ASP 2 N 0.00 0.30 0.00 7.83 8.00 -1.26 -5.12 116.55 126.30 1nee n ASP 2 Ca 0.00 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1nee n ASP 2 Cb 0.00 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 1nee n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nee n ASP 3 N -2.04 0.00 -2.65 -2.24 9.92 -1.26 -4.95 116.55 113.33 1nee n ASP 3 Ca 0.01 0.25 -0.03 0.00 -0.53 0.00 0.00 54.79 54.49 1nee n ASP 3 Cb 0.34 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.93 1nee n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nee n TYR 4 N -0.32 -0.07 -2.96 1.24 9.36 -1.26 -5.15 117.16 118.01 1nee n TYR 4 Ca 0.00 -0.53 -0.40 0.00 3.32 0.00 0.00 57.90 60.28 1nee n TYR 4 Cb 0.00 1.09 -0.04 0.00 -0.63 0.00 0.00 39.34 39.76 1nee n TYR 4 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1nee s GLU 5 N 0.01 4.48 0.44 2.98 2.12 -1.26 -5.05 118.70 122.41 1nee s GLU 5 Ca 0.21 1.04 -0.17 0.00 0.36 0.00 0.00 54.97 56.41 1nee s GLU 5 Cb 0.28 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.15 1nee s GLU 5 CO -0.19 0.09 0.91 -1.59 -0.54 0.00 0.00 175.26 173.94 1nee s LYS 6 N 0.65 4.05 -0.17 4.30 -2.85 -1.26 -5.07 119.74 119.39 1nee s LYS 6 Ca 0.41 0.92 0.01 0.00 -1.00 0.00 0.00 55.97 56.30 1nee s LYS 6 Cb -0.19 -2.23 0.02 0.00 -2.06 0.00 0.00 37.83 33.37 1nee s LYS 6 CO 0.21 -0.08 -0.16 -1.17 0.10 0.00 0.00 175.35 174.25 1nee s LEU 7 N -3.53 2.00 0.02 2.77 2.96 -1.26 -4.94 118.68 116.71 1nee s LEU 7 Ca 0.58 -0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 1nee s LEU 7 Cb -0.10 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.20 1nee s LEU 7 CO 0.22 -0.04 1.50 -0.22 -1.32 0.00 0.00 176.35 176.48 1nee s LEU 8 N 1.38 4.33 -0.01 -0.68 0.20 -1.26 -4.89 118.68 117.75 1nee s LEU 8 Ca 0.04 2.24 0.22 0.00 0.69 0.00 0.00 54.13 57.31 1nee s LEU 8 Cb -0.13 -3.56 -0.27 0.00 -0.43 0.00 0.00 46.19 41.80 1nee s LEU 8 CO -0.11 -0.79 0.65 -0.62 -0.29 0.00 0.00 176.35 175.19 1nee n GLU 9 N 5.56 0.46 -1.99 1.98 -0.58 -1.26 -4.76 120.64 120.05 1nee n GLU 9 Ca 0.14 -0.12 -0.40 0.00 -0.42 0.00 0.00 57.16 56.37 1nee n GLU 9 Cb 0.43 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1nee s ARG 10 N -3.36 2.81 -0.35 3.49 6.06 -1.26 -3.99 118.95 122.35 1nee s ARG 10 Ca -0.03 0.94 -0.07 0.00 -2.50 0.00 0.00 55.73 54.07 1nee s ARG 10 Cb 0.14 -4.34 0.01 0.00 0.06 0.00 0.00 34.95 30.82 1nee s ARG 10 CO 0.89 -2.49 0.25 0.00 -2.50 0.00 0.00 175.30 171.44 1nee n ALA 11 N 12.21 -3.24 -0.05 6.12 0.00 -1.26 -4.98 120.51 129.31 1nee n ALA 11 Ca 0.22 0.75 -0.02 0.00 0.00 0.00 0.00 53.44 54.39 1nee n ALA 11 Cb 0.51 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N 0.32 0.60 0.01 0.00 5.41 -1.26 -4.98 119.36 119.47 1nee n ILE 12 Ca 0.04 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.31 1nee n ILE 12 Cb 0.21 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 1nee n ILE 12 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nee n ASP 13 N -2.32 -0.16 -0.06 4.38 -0.08 -1.26 -4.99 116.55 112.05 1nee n ASP 13 Ca -0.15 0.24 -0.13 0.00 -1.51 0.00 0.00 54.79 53.23 1nee n ASP 13 Cb 0.74 0.37 -0.07 0.00 2.34 0.00 0.00 41.12 44.51 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1nee h GLN 14 N 0.00 0.42 -6.78 -0.67 7.50 -1.99 -3.45 115.11 110.14 1nee h GLN 14 Ca 0.00 -0.23 -0.56 0.00 0.50 0.00 0.00 58.65 58.36 1nee h GLN 14 Cb 0.00 0.01 0.18 0.00 0.05 0.00 0.00 27.48 27.72 1nee h GLN 14 CO 0.00 0.80 -0.15 -0.11 -1.50 0.00 0.00 178.83 177.87 1nee n LEU 15 N -4.49 2.15 -3.94 1.46 7.94 -1.26 -4.95 117.00 113.91 1nee n LEU 15 Ca -0.06 0.65 -0.16 0.00 -1.11 0.00 0.00 56.01 55.33 1nee n LEU 15 Cb 0.39 -1.31 0.08 0.00 0.53 0.00 0.00 43.42 43.12 1nee n LEU 15 CO 0.40 -2.57 -0.32 -0.81 -1.11 0.00 0.00 177.39 172.98 1nee n PRO 16 N -1.19 -1.17 0.00 1.96 -0.04 -1.26 -4.81 135.00 128.49 1nee n PRO 16 Ca 0.12 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1nee n PRO 16 Cb 0.49 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N 0.05 0.00 -1.35 0.54 -0.04 -1.26 -4.91 135.00 128.03 1nee n PRO 17 Ca 0.02 0.15 0.17 0.00 -0.04 0.00 0.00 63.50 63.80 1nee n PRO 17 Cb 0.31 -1.11 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1nee n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nee n GLU 18 N -0.87 -3.05 -2.94 0.54 2.13 -1.26 -4.67 120.64 110.52 1nee n GLU 18 Ca 0.00 2.41 -0.43 0.00 0.66 0.00 0.00 57.16 59.80 1nee n GLU 18 Cb 0.00 -3.59 -0.05 0.00 0.27 0.00 0.00 31.44 28.07 1nee n GLU 18 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1nee s VAL 19 N -3.78 4.61 0.05 6.31 -7.23 -1.26 -5.04 120.40 114.06 1nee s VAL 19 Ca 0.00 0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.67 1nee s VAL 19 Cb 0.00 -4.35 -0.04 0.00 0.56 0.00 0.00 36.38 32.55 1nee s VAL 19 CO 0.00 -0.76 -0.08 0.72 -0.31 0.00 0.00 175.10 174.67 1nee s PHE 20 N 3.39 2.84 0.00 2.82 -0.71 -1.26 -4.98 117.98 120.08 1nee s PHE 20 Ca 0.31 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1nee s PHE 20 Cb -0.12 -1.54 0.00 0.00 -1.21 0.00 0.00 43.02 40.15 1nee s PHE 20 CO 0.23 0.39 0.00 -0.85 -1.34 0.00 0.00 175.22 173.65 1nee n GLU 21 N 1.18 0.00 -2.99 1.99 0.28 -1.26 -4.99 120.64 114.86 1nee n GLU 21 Ca -0.14 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.42 1nee n GLU 21 Cb 0.52 -0.24 0.01 0.00 1.43 0.00 0.00 31.44 33.16 1nee n GLU 21 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1nee n THR 22 N -1.28 4.94 -3.73 3.84 5.66 -1.26 -5.01 114.28 117.43 1nee n THR 22 Ca 0.00 -5.51 -0.37 0.00 -3.05 0.00 0.00 64.05 55.12 1nee n THR 22 Cb 0.00 -2.27 -0.06 0.00 -1.55 0.00 0.00 70.33 66.45 1nee n THR 22 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1nee s LYS 23 N -1.68 3.62 -1.14 1.09 -2.85 -1.26 -4.87 119.74 112.65 1nee s LYS 23 Ca 0.33 0.06 -0.21 0.00 -1.00 0.00 0.00 55.97 55.15 1nee s LYS 23 Cb 0.01 -3.19 0.05 0.00 -2.06 0.00 0.00 37.83 32.64 1nee s LYS 23 CO 0.04 0.73 1.62 1.03 0.10 0.00 0.00 175.35 178.87 1nee s ARG 24 N -1.14 3.64 -0.81 1.78 3.00 -1.26 -4.93 118.95 119.24 1nee s ARG 24 Ca 0.20 -1.44 -0.18 0.00 0.00 0.00 0.00 55.73 54.30 1nee s ARG 24 Cb -0.14 -5.41 0.13 0.00 0.00 0.00 0.00 34.95 29.53 1nee s ARG 24 CO 0.09 -2.38 0.96 0.12 0.00 0.00 0.00 175.30 174.09 1nee s PHE 25 N 5.25 3.16 -0.02 -0.53 2.19 -1.26 -4.99 117.98 121.77 1nee s PHE 25 Ca 0.52 -1.32 0.01 0.00 0.33 0.00 0.00 56.93 56.47 1nee s PHE 25 Cb 0.01 -4.15 0.01 0.00 -1.31 0.00 0.00 43.02 37.58 1nee s PHE 25 CO -0.01 -1.38 -0.04 -1.21 1.83 0.00 0.00 175.22 174.41 1nee s GLU 26 N 2.39 0.51 -0.15 10.12 0.41 -1.26 -4.94 118.70 125.78 1nee s GLU 26 Ca 0.25 -0.11 -0.09 0.00 -0.41 0.00 0.00 54.97 54.61 1nee s GLU 26 Cb -0.11 -0.54 0.05 0.00 -1.78 0.00 0.00 34.13 31.76 1nee s GLU 26 CO -0.04 0.01 0.37 0.08 -0.49 0.00 0.00 175.26 175.19 1nee s VAL 27 N 0.38 -0.03 0.00 2.63 1.01 -1.26 -5.09 120.40 118.04 1nee s VAL 27 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1nee s VAL 27 Cb -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1nee s VAL 27 CO -0.00 0.04 0.00 -2.65 0.00 0.00 0.00 175.10 172.49 1nee n PRO 28 N 4.12 0.00 -3.64 2.72 -0.02 -1.26 -4.95 135.00 131.97 1nee n PRO 28 Ca -0.23 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.19 1nee n PRO 28 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.96 1nee n PRO 28 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nee s LYS 29 N 0.00 0.43 -0.03 -0.52 2.20 -1.26 -5.04 119.74 115.53 1nee s LYS 29 Ca 0.00 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 1nee s LYS 29 Cb 0.00 0.16 0.09 0.00 -1.51 0.00 0.00 37.83 36.57 1nee s LYS 29 CO 0.00 -0.07 0.77 0.00 -0.36 0.00 0.00 175.35 175.69 1nee s ALA 30 N 0.67 -1.78 0.10 3.13 0.00 -1.26 -5.02 121.76 117.60 1nee s ALA 30 Ca -0.02 1.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1nee s ALA 30 Cb -0.04 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1nee s ALA 30 CO -0.10 -0.48 0.91 1.52 0.00 0.00 0.00 175.76 177.61 1nee s TYR 31 N -1.94 -0.23 0.35 0.00 1.13 -1.26 -4.80 117.35 110.61 1nee s TYR 31 Ca -0.04 -0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.54 1nee s TYR 31 Cb -0.00 0.60 0.08 0.00 -1.10 0.00 0.00 41.96 41.54 1nee s TYR 31 CO 0.01 -0.75 0.42 -1.13 -2.51 0.00 0.00 175.55 171.59 1nee n SER 32 N -0.39 -0.41 -3.94 -0.18 3.41 -1.26 -4.77 113.62 106.08 1nee n SER 32 Ca -0.07 -1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 57.33 1nee n SER 32 Cb 0.61 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 64.07 1nee n SER 32 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1nee s VAL 33 N -1.88 0.57 0.52 -3.33 -7.23 -1.25 -4.68 120.40 103.12 1nee s VAL 33 Ca 0.25 -0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 59.98 1nee s VAL 33 Cb -0.01 -0.53 -0.06 0.00 0.56 0.00 0.00 36.38 36.34 1nee s VAL 33 CO 0.18 0.20 1.24 -0.51 -0.31 0.00 0.00 175.10 175.90 1nee s ILE 34 N 0.39 2.63 -0.35 -0.62 2.07 -1.26 -1.80 121.20 122.26 1nee s ILE 34 Ca -0.05 0.45 -0.00 0.00 -1.41 0.00 0.00 60.65 59.64 1nee s ILE 34 Cb -0.09 -3.22 0.19 0.00 0.13 0.00 0.00 42.46 39.47 1nee s ILE 34 CO 0.00 -0.02 0.81 -1.58 -1.91 0.00 0.00 174.94 172.23 1nee s GLN 35 N -2.92 0.50 2.46 3.50 -0.44 -0.96 -4.86 119.66 116.93 1nee s GLN 35 Ca 0.70 -0.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.53 1nee s GLN 35 Cb -0.33 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.13 1nee s GLN 35 CO 0.39 -0.76 0.00 0.41 0.50 0.00 0.00 175.29 175.83 1nee n GLY 36 N 4.42 0.24 0.97 2.59 0.00 -1.26 -0.50 105.19 111.65 1nee n GLY 36 Ca 0.08 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.80 1nee n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nee n ASN 37 N 4.50 0.99 -4.05 1.61 0.23 -1.26 -5.08 115.26 112.20 1nee n ASN 37 Ca 0.00 -2.43 -0.08 0.00 -0.53 0.00 0.00 54.58 51.55 1nee n ASN 37 Cb 0.00 -0.33 -0.10 0.00 -2.08 0.00 0.00 39.78 37.27 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nee s ARG 38 N -0.82 0.51 -0.20 -3.83 3.03 0.34 -2.54 118.95 115.45 1nee s ARG 38 Ca 0.26 -1.01 -0.06 0.00 2.03 0.00 0.00 55.73 56.95 1nee s ARG 38 Cb 0.28 0.17 -0.03 0.00 -1.03 0.00 0.00 34.95 34.34 1nee s ARG 38 CO -0.09 -0.09 0.03 -0.08 -1.13 0.00 0.00 175.30 173.93 1nee s THR 39 N -3.08 4.24 -1.16 4.99 -1.32 -0.64 -2.27 115.64 116.41 1nee s THR 39 Ca -0.01 -0.22 -0.08 0.00 -1.21 0.00 0.00 61.69 60.18 1nee s THR 39 Cb 0.02 -2.92 0.25 0.00 -1.51 0.00 0.00 72.50 68.34 1nee s THR 39 CO -0.07 0.42 1.50 0.33 -2.21 0.00 0.00 174.62 174.60 1nee n PHE 40 N 4.11 3.43 -2.25 9.09 -0.00 -0.74 -0.98 117.46 130.11 1nee n PHE 40 Ca -0.17 -3.02 -0.43 0.00 -0.00 0.00 0.00 57.45 53.84 1nee n PHE 40 Cb 0.52 -1.65 -0.02 0.00 -0.00 0.00 0.00 39.48 38.32 1nee n PHE 40 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 1nee s ILE 41 N -1.10 3.95 -0.22 -2.13 1.10 -0.54 -3.76 121.20 118.51 1nee s ILE 41 Ca 0.35 1.11 0.00 0.00 -0.51 0.00 0.00 60.65 61.60 1nee s ILE 41 Cb 0.02 -3.85 -0.14 0.00 0.15 0.00 0.00 42.46 38.65 1nee s ILE 41 CO 0.03 -0.25 -0.20 1.67 -2.11 0.00 0.00 174.94 174.08 1nee n GLN 42 N 7.18 0.53 -1.35 3.50 -0.06 -1.26 -2.22 117.38 123.69 1nee n GLN 42 Ca 0.16 0.13 -0.29 0.00 -2.00 0.00 0.00 57.00 55.00 1nee n GLN 42 Cb 0.45 -1.42 0.04 0.00 -4.06 0.00 0.00 30.24 25.25 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1nee n ASN 43 N -3.21 7.11 0.28 1.69 3.02 -1.26 -4.68 115.26 118.22 1nee n ASN 43 Ca -0.39 -3.49 0.10 0.00 -0.03 0.00 0.00 54.58 50.77 1nee n ASN 43 Cb 0.90 -1.07 0.47 0.00 -0.61 0.00 0.00 39.78 39.47 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1nee h PHE 44 N 2.23 0.00 0.00 3.10 -0.00 -1.97 0.64 116.94 120.95 1nee h PHE 44 Ca 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.43 1nee h PHE 44 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.62 1nee h PHE 44 CO 1.22 0.00 -0.17 -0.09 -0.00 0.00 0.00 178.31 179.27 1nee h ARG 45 N 0.00 0.00 -0.62 6.09 1.12 -1.98 -1.24 114.38 117.75 1nee h ARG 45 Ca 0.04 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.84 1nee h ARG 45 Cb 1.36 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.30 1nee h ARG 45 CO -0.00 0.31 0.09 1.49 -3.11 0.00 0.00 179.97 178.75 1nee h GLU 46 N -1.00 1.03 -0.27 0.20 4.81 -1.55 -2.49 114.58 115.30 1nee h GLU 46 Ca -0.03 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 1nee h GLU 46 Cb 0.42 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1nee h GLU 46 CO -0.02 0.96 -0.28 0.28 -0.73 0.00 0.00 179.01 179.22 1nee h VAL 47 N 0.96 1.31 -0.47 0.32 2.07 0.06 -2.73 116.25 117.77 1nee h VAL 47 Ca 0.19 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1nee h VAL 47 Cb 0.44 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1nee h VAL 47 CO 0.01 0.46 0.31 0.00 0.02 0.00 0.00 177.57 178.37 1nee h ALA 48 N 0.70 1.79 0.08 1.67 0.00 -1.02 0.07 119.26 122.56 1nee h ALA 48 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nee h ALA 48 Cb 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1nee h ALA 48 CO 0.07 0.16 -0.04 0.22 0.00 0.00 0.00 179.25 179.65 1nee h ASP 49 N 0.52 -0.10 -0.64 0.00 1.82 -1.41 -2.18 116.42 114.44 1nee h ASP 49 Ca 0.19 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.96 1nee h ASP 49 Cb 0.11 0.02 -0.10 0.00 0.68 0.00 0.00 39.33 40.04 1nee h ASP 49 CO -0.05 0.07 0.09 0.00 -1.61 0.00 0.00 179.24 177.74 1nee h ALA 50 N -1.67 0.72 -0.26 -0.78 0.00 -1.50 0.52 119.26 116.29 1nee h ALA 50 Ca -0.01 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1nee h ALA 50 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nee h ALA 50 CO 0.02 -0.35 -0.18 1.25 0.00 0.00 0.00 179.25 179.99 1nee h LEU 51 N 0.20 0.46 -5.97 0.00 5.85 -1.13 -3.33 115.31 111.39 1nee h LEU 51 Ca 0.34 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.04 1nee h LEU 51 Cb 0.55 -0.12 -0.20 0.00 0.37 0.00 0.00 40.66 41.26 1nee h LEU 51 CO -0.48 0.66 -0.22 0.20 -0.34 0.00 0.00 178.44 178.26 1nee s ASN 52 N -6.80 -1.05 0.43 1.25 0.02 -0.11 -4.50 114.94 104.17 1nee s ASN 52 Ca -0.07 0.06 0.33 0.00 -1.02 0.00 0.00 52.86 52.17 1nee s ASN 52 Cb 0.14 1.63 1.41 0.00 0.02 0.00 0.00 41.25 44.46 1nee s ASN 52 CO 0.78 -0.19 1.43 -1.14 0.02 0.00 0.00 177.10 178.00 1nee n ARG 53 N 5.16 -0.03 -3.29 -0.60 0.63 -0.02 -4.08 116.66 114.44 1nee n ARG 53 Ca 0.07 1.11 -0.38 0.00 -0.92 0.00 0.00 57.85 57.73 1nee n ARG 53 Cb 0.56 -2.26 -0.06 0.00 0.45 0.00 0.00 32.46 31.15 1nee n ARG 53 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1nee s ASP 54 N -4.20 6.79 0.15 6.15 1.01 -1.26 -4.84 116.67 120.47 1nee s ASP 54 Ca -0.06 0.94 -0.07 0.00 0.71 0.00 0.00 52.55 54.07 1nee s ASP 54 Cb 0.27 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1nee s ASP 54 CO 0.76 0.05 1.42 1.55 0.21 0.00 0.00 175.17 179.16 1nee h PRO 55 N 6.26 0.65 -0.16 8.23 0.13 -1.87 -3.09 132.00 142.15 1nee h PRO 55 Ca -0.43 -0.46 0.03 0.00 -0.87 0.00 0.00 66.00 64.27 1nee h PRO 55 Cb 1.19 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1nee h PRO 55 CO 0.73 1.08 0.11 1.96 -0.23 0.00 0.00 178.00 181.65 1nee h GLN 56 N 0.47 0.06 0.39 0.86 4.20 -1.94 -2.22 115.11 116.94 1nee h GLN 56 Ca -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1nee h GLN 56 Cb 1.23 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1nee h GLN 56 CO 0.13 0.04 -0.19 1.25 -0.67 0.00 0.00 178.83 179.39 1nee h HIS 57 N 0.06 -0.48 -0.85 2.96 2.76 -1.89 -2.80 115.15 114.91 1nee h HIS 57 Ca 0.07 -0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.45 1nee h HIS 57 Cb 0.21 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.20 1nee h HIS 57 CO -0.00 -0.30 0.19 1.25 -1.30 0.00 0.00 177.93 177.77 1nee h LEU 58 N -0.94 -0.06 0.17 0.26 5.85 -1.52 0.41 115.31 119.48 1nee h LEU 58 Ca -0.05 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1nee h LEU 58 Cb 0.40 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1nee h LEU 58 CO 0.09 -0.15 -0.21 0.25 -0.34 0.00 0.00 178.44 178.07 1nee h LEU 59 N 0.20 -0.58 -1.47 2.25 7.12 -1.47 0.21 115.31 121.56 1nee h LEU 59 Ca 0.52 0.06 -0.06 0.00 0.13 0.00 0.00 57.88 58.54 1nee h LEU 59 Cb 1.02 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1nee h LEU 59 CO -0.65 -0.31 -0.26 0.11 -0.13 0.00 0.00 178.44 177.20 1nee h LYS 60 N -0.44 0.00 0.03 1.25 1.79 -0.83 -2.66 116.57 115.71 1nee h LYS 60 Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1nee h LYS 60 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1nee h LYS 60 CO -0.08 0.26 -0.02 0.74 -1.08 0.00 0.00 179.45 179.28 1nee h PHE 61 N 0.00 -0.04 -0.79 -1.35 -1.00 0.57 0.24 116.94 114.57 1nee h PHE 61 Ca -0.00 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 1nee h PHE 61 Cb 0.54 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 1nee h PHE 61 CO 0.00 0.45 0.47 -0.07 -1.61 0.00 0.00 178.31 177.56 1nee h LEU 62 N -0.55 0.73 -0.25 1.54 3.38 -0.53 -2.06 115.31 117.57 1nee h LEU 62 Ca -0.00 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1nee h LEU 62 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nee h LEU 62 CO 0.01 0.47 -0.90 -0.07 0.09 0.00 0.00 178.44 178.04 1nee h LEU 63 N 0.87 0.35 -1.39 1.67 3.38 -1.49 0.63 115.31 119.33 1nee h LEU 63 Ca 0.34 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1nee h LEU 63 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1nee h LEU 63 CO -0.17 1.08 0.48 -0.09 0.09 0.00 0.00 178.44 179.83 1nee h ARG 64 N 0.15 0.70 0.00 1.13 9.65 0.17 -2.55 114.38 123.63 1nee h ARG 64 Ca -0.06 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.67 1nee h ARG 64 Cb 1.53 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.93 1nee h ARG 64 CO 0.14 0.46 -2.10 0.39 2.80 0.00 0.00 179.97 181.67 1nee n GLU 65 N -4.49 0.68 -2.11 0.20 1.02 -0.97 -4.70 120.64 110.27 1nee n GLU 65 Ca 0.11 -0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1nee n GLU 65 Cb 0.26 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1nee n GLU 65 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nee n LEU 66 N -2.40 5.32 0.00 -4.62 4.32 0.21 -4.10 117.00 115.74 1nee n LEU 66 Ca -0.13 -3.82 0.07 0.00 -0.02 0.00 0.00 56.01 52.11 1nee n LEU 66 Cb 0.74 -1.66 0.36 0.00 -1.62 0.00 0.00 43.42 41.23 1nee n LEU 66 CO 0.44 0.21 0.69 0.61 -1.22 0.00 0.00 177.39 178.12 1nee n GLY 67 N 4.92 -0.75 3.97 -0.72 0.00 -1.26 -4.73 105.19 106.62 1nee n GLY 67 Ca 0.50 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -2.56 2.94 0.03 2.61 -4.23 -1.26 -4.96 115.64 108.21 1nee s THR 68 Ca 0.13 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1nee s THR 68 Cb 0.09 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1nee s THR 68 CO 0.21 -0.07 0.27 0.00 -0.54 0.00 0.00 174.62 174.49 1nee n ALA 69 N -2.30 -0.08 -2.25 3.99 0.00 -1.26 -4.86 120.51 113.75 1nee n ALA 69 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1nee n ALA 69 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.06 -4.50 3.54 0.00 0.00 -1.24 -5.02 105.19 96.90 1nee n GLY 70 Ca 0.01 1.06 -0.09 0.00 0.00 0.00 0.00 46.02 47.00 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N -0.51 -0.41 -0.41 1.61 -0.87 -1.26 -4.93 114.94 108.17 1nee s ASN 71 Ca -0.18 -0.11 -0.26 0.00 -1.57 0.00 0.00 52.86 50.73 1nee s ASN 71 Cb 0.01 0.52 0.02 0.00 -0.02 0.00 0.00 41.25 41.78 1nee s ASN 71 CO 0.54 -0.86 0.95 -0.22 -2.57 0.00 0.00 177.10 174.94 1nee s LEU 72 N -2.69 3.96 0.08 0.60 1.98 -1.26 -3.36 118.68 118.00 1nee s LEU 72 Ca 0.05 0.43 0.03 0.00 -2.89 0.00 0.00 54.13 51.76 1nee s LEU 72 Cb -0.02 -3.28 -0.04 0.00 0.66 0.00 0.00 46.19 43.51 1nee s LEU 72 CO -0.07 -0.97 0.07 -1.61 -1.89 0.00 0.00 176.35 171.88 1nee s GLU 73 N 3.68 2.84 0.33 1.98 0.41 -0.56 -4.81 118.70 122.57 1nee s GLU 73 Ca 0.39 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1nee s GLU 73 Cb -0.11 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1nee s GLU 73 CO 0.23 0.56 0.00 0.41 -0.49 0.00 0.00 175.26 175.96 1nee n GLY 74 N 0.44 -1.99 0.30 -1.39 0.00 -1.26 -2.33 105.19 98.95 1nee n GLY 74 Ca -0.09 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1nee n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nee h GLY 75 N -1.20 0.31 -0.74 -0.02 0.00 -2.02 -3.43 103.07 95.97 1nee h GLY 75 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 1nee h GLY 75 CO 0.02 0.10 0.09 0.54 0.00 0.00 0.00 176.54 177.29 1nee n ARG 76 N -4.50 0.08 -2.99 4.80 5.12 -1.26 -4.99 116.66 112.92 1nee n ARG 76 Ca 0.02 -1.52 -0.44 0.00 -1.93 0.00 0.00 57.85 53.98 1nee n ARG 76 Cb 0.13 -0.43 -0.00 0.00 -1.16 0.00 0.00 32.46 30.99 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nee s ALA 77 N -3.12 4.06 -0.96 7.54 0.00 -0.94 -4.14 121.76 124.20 1nee s ALA 77 Ca 0.39 -3.39 -0.18 0.00 0.00 0.00 0.00 51.96 48.78 1nee s ALA 77 Cb -0.02 -4.05 0.14 0.00 0.00 0.00 0.00 23.12 19.19 1nee s ALA 77 CO 0.26 -2.71 1.13 0.42 0.00 0.00 0.00 175.76 174.86 1nee s ILE 78 N 1.29 4.85 0.80 0.00 1.01 -0.98 -1.46 121.20 126.70 1nee s ILE 78 Ca 0.41 -1.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.22 1nee s ILE 78 Cb -0.04 -4.77 0.17 0.00 0.01 0.00 0.00 42.46 37.83 1nee s ILE 78 CO -0.01 -1.48 1.10 0.00 0.00 0.00 0.00 174.94 174.55 1nee n LEU 79 N 6.20 0.00 -3.76 2.97 -0.00 -0.15 -1.50 117.00 120.76 1nee n LEU 79 Ca 0.25 -1.91 -0.16 0.00 -0.00 0.00 0.00 56.01 54.19 1nee n LEU 79 Cb 0.48 -0.76 -0.16 0.00 -0.00 0.00 0.00 43.42 42.98 1nee n LEU 79 CO 0.50 -1.13 -0.35 -1.58 -0.00 0.00 0.00 177.39 174.83 1nee s GLN 80 N -5.35 -0.02 0.00 1.47 0.74 -1.26 -1.62 119.66 113.63 1nee s GLN 80 Ca 0.69 0.20 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1nee s GLN 80 Cb -0.03 -0.29 0.00 0.00 1.10 0.00 0.00 33.01 33.78 1nee s GLN 80 CO 0.47 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 1nee n GLY 81 N 4.29 -0.46 2.73 2.59 0.00 -1.05 -3.70 105.19 109.59 1nee n GLY 81 Ca -0.26 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 1.80 -1.84 1.61 0.00 -1.26 -4.59 118.16 113.88 1nee n LYS 82 Ca 0.00 -3.53 -0.33 0.00 0.00 0.00 0.00 58.31 54.45 1nee n LYS 82 Cb 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 35.03 33.47 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1nee n PHE 83 N -0.50 3.10 -2.25 5.64 3.01 -1.26 -4.80 117.46 120.41 1nee n PHE 83 Ca 0.11 -2.68 -0.41 0.00 1.01 0.00 0.00 57.45 55.48 1nee n PHE 83 Cb 0.81 -0.92 -0.01 0.00 -0.01 0.00 0.00 39.48 39.36 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N -0.69 3.53 -3.93 4.37 -2.24 -1.26 -4.35 114.28 109.71 1nee n THR 84 Ca 0.52 -3.51 -0.31 0.00 -2.27 0.00 0.00 64.05 58.48 1nee n THR 84 Cb 0.59 -2.40 -0.04 0.00 -2.10 0.00 0.00 70.33 66.39 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nee n HIS 85 N 8.34 -1.55 0.00 4.78 1.44 -1.26 -4.85 115.22 122.11 1nee n HIS 85 Ca 0.49 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.77 1nee n HIS 85 Cb 0.44 -2.21 0.00 0.00 0.12 0.00 0.00 29.99 28.34 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -3.88 0.00 0.05 -1.40 3.72 -1.26 -4.01 117.46 110.68 1nee n PHE 86 Ca 0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.44 1nee n PHE 86 Cb 0.48 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.25 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nee h LEU 87 N 0.00 0.39 0.81 4.37 -0.00 -1.89 -2.39 115.31 116.61 1nee h LEU 87 Ca 0.00 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 1nee h LEU 87 Cb 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1nee h LEU 87 CO 0.00 0.68 -0.39 0.40 -0.00 0.00 0.00 178.44 179.12 1nee h ILE 88 N 0.34 0.00 -0.14 1.22 2.04 -1.91 -0.57 117.51 118.50 1nee h ILE 88 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1nee h ILE 88 Cb 0.69 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1nee h ILE 88 CO 0.05 0.00 -0.03 -1.13 0.00 0.00 0.00 178.15 177.04 1nee h ASN 89 N -1.09 -0.13 0.02 1.72 -0.00 -1.69 0.12 115.58 114.53 1nee h ASN 89 Ca -0.11 0.04 0.03 0.00 -0.00 0.00 0.00 56.30 56.26 1nee h ASN 89 Cb 0.84 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 39.20 1nee h ASN 89 CO 0.18 -0.05 -0.25 -0.08 -0.00 0.00 0.00 177.43 177.24 1nee h GLU 90 N 0.00 -0.38 -0.10 6.67 4.57 -1.45 0.13 114.58 124.01 1nee h GLU 90 Ca 0.07 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1nee h GLU 90 Cb 0.10 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1nee h GLU 90 CO -0.14 -0.25 0.04 0.00 -1.18 0.00 0.00 179.01 177.47 1nee h ARG 91 N -0.40 0.09 0.15 1.92 2.47 -0.93 0.82 114.38 118.50 1nee h ARG 91 Ca 0.06 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1nee h ARG 91 Cb 0.47 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 1nee h ARG 91 CO -0.21 0.06 -0.38 0.82 0.56 0.00 0.00 179.97 180.82 1nee h ILE 92 N 0.09 0.22 0.00 2.04 2.04 -0.43 -1.31 117.51 120.16 1nee h ILE 92 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1nee h ILE 92 Cb 0.02 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1nee h ILE 92 CO -0.04 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.70 1nee h GLU 93 N -0.63 0.00 0.63 2.37 4.39 -0.65 0.18 114.58 120.87 1nee h GLU 93 Ca 0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1nee h GLU 93 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1nee h GLU 93 CO -0.20 0.09 -0.38 0.22 -1.16 0.00 0.00 179.01 177.57 1nee h ASP 94 N 0.00 -0.94 0.00 1.42 3.58 0.36 -1.49 116.42 119.35 1nee h ASP 94 Ca -0.00 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1nee h ASP 94 Cb 0.22 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1nee h ASP 94 CO 0.01 -0.59 -0.43 1.88 -2.88 0.00 0.00 179.24 177.23 1nee h TYR 95 N -0.95 0.00 -0.73 0.28 0.05 -1.36 -3.06 116.97 111.20 1nee h TYR 95 Ca -0.08 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.87 1nee h TYR 95 Cb 0.76 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.38 1nee h TYR 95 CO -0.09 0.13 0.08 0.28 -1.05 0.00 0.00 178.16 177.52 1nee h VAL 96 N -1.00 0.42 -1.80 -2.88 2.07 -0.82 -1.36 116.25 110.89 1nee h VAL 96 Ca -0.03 -0.06 -0.67 0.00 0.82 0.00 0.00 66.70 66.76 1nee h VAL 96 Cb 0.46 0.24 -0.35 0.00 -1.52 0.00 0.00 31.29 30.11 1nee h VAL 96 CO -0.02 0.03 0.07 0.59 0.02 0.00 0.00 177.57 178.27 1nee n ASN 97 N -5.26 5.94 -0.28 0.57 5.03 -0.56 -4.71 115.26 116.00 1nee n ASN 97 Ca 0.14 -3.76 0.11 0.00 0.87 0.00 0.00 54.58 51.93 1nee n ASN 97 Cb 0.47 -0.74 0.50 0.00 -1.02 0.00 0.00 39.78 38.98 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1nee n LYS 98 N -0.46 1.36 -0.03 3.52 2.85 -0.51 -3.88 118.16 121.01 1nee n LYS 98 Ca 0.45 -0.55 -0.10 0.00 -1.05 0.00 0.00 58.31 57.06 1nee n LYS 98 Cb 0.45 -1.36 -0.09 0.00 -0.65 0.00 0.00 35.03 33.38 1nee n LYS 98 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1nee h PHE 99 N 1.13 -0.05 -0.01 5.58 0.04 -1.84 0.70 116.94 122.49 1nee h PHE 99 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nee h PHE 99 Cb 0.25 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1nee h PHE 99 CO 0.05 0.55 0.00 1.33 -0.60 0.00 0.00 178.31 179.64 1nee n VAL 100 N -4.74 0.01 -0.03 -0.55 0.24 -1.26 0.11 118.33 112.11 1nee n VAL 100 Ca -0.07 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 1nee n VAL 100 Cb 0.31 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1nee n VAL 100 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nee n ILE 101 N -0.41 0.30 1.72 1.34 3.06 -1.25 -4.64 119.36 119.48 1nee n ILE 101 Ca 0.21 -0.08 0.02 0.00 -2.50 0.00 0.00 62.75 60.39 1nee n ILE 101 Cb 0.23 -1.39 0.05 0.00 0.54 0.00 0.00 39.64 39.07 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nee n HIS 103 N -0.25 -1.58 -3.42 0.00 8.25 -1.17 -3.96 115.22 113.10 1nee n HIS 103 Ca 0.03 0.61 -0.13 0.00 -0.26 0.00 0.00 57.72 57.97 1nee n HIS 103 Cb 0.08 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.48 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -3.12 -1.47 -0.41 -0.41 2.13 0.31 -4.80 120.64 112.87 1nee n GLU 104 Ca -0.08 1.16 0.00 0.00 0.66 0.00 0.00 57.16 58.89 1nee n GLU 104 Cb 0.57 -4.00 0.00 0.00 0.27 0.00 0.00 31.44 28.29 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nee h ASN 106 N 1.29 -0.05 -3.70 0.00 -1.24 -1.95 -3.45 115.58 106.49 1nee h ASN 106 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 1nee h ASN 106 Cb 0.88 0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.95 1nee h ASN 106 CO 0.00 0.01 0.47 -0.13 -1.29 0.00 0.00 177.43 176.49 1nee s ARG 107 N -1.78 4.64 -0.17 6.67 1.81 -1.26 -4.88 118.95 123.98 1nee s ARG 107 Ca -0.01 1.75 -0.27 0.00 -1.72 0.00 0.00 55.73 55.49 1nee s ARG 107 Cb 0.00 -3.23 -0.31 0.00 -0.45 0.00 0.00 34.95 30.96 1nee s ARG 107 CO 0.02 0.18 1.55 -2.30 -0.68 0.00 0.00 175.30 174.07 1nee n PRO 108 N 1.69 0.01 0.01 3.54 -0.02 -1.26 -4.40 135.00 134.57 1nee n PRO 108 Ca 0.00 -0.99 0.11 0.00 -2.02 0.00 0.00 63.50 60.60 1nee n PRO 108 Cb 0.45 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1nee n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nee n ASP 109 N 10.09 0.61 -3.97 2.55 8.00 -1.26 -4.98 116.55 127.59 1nee n ASP 109 Ca 0.40 -0.42 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 1nee n ASP 109 Cb 0.41 1.06 -0.09 0.00 -0.02 0.00 0.00 41.12 42.48 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nee s THR 110 N -3.19 0.42 -0.70 -3.53 -4.23 -1.26 -4.91 115.64 98.24 1nee s THR 110 Ca 0.03 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.33 1nee s THR 110 Cb 0.15 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.60 1nee s THR 110 CO 0.84 0.00 0.95 -0.13 -0.54 0.00 0.00 174.62 175.74 1nee s ARG 111 N -3.74 3.18 -0.15 3.99 1.81 -1.26 -5.01 118.95 117.77 1nee s ARG 111 Ca 0.33 -1.08 -0.24 0.00 -1.72 0.00 0.00 55.73 53.01 1nee s ARG 111 Cb 0.04 -4.36 -0.02 0.00 -0.45 0.00 0.00 34.95 30.16 1nee s ARG 111 CO 0.18 -1.76 0.78 0.42 -0.68 0.00 0.00 175.30 174.23 1nee s ILE 112 N 3.59 4.93 -0.02 1.52 1.01 -1.26 -4.53 121.20 126.44 1nee s ILE 112 Ca 0.22 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1nee s ILE 112 Cb -0.16 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1nee s ILE 112 CO 0.06 0.08 0.02 0.27 0.00 0.00 0.00 174.94 175.37 1nee s ILE 113 N 1.86 0.02 -0.02 2.92 -4.36 -1.25 -5.01 121.20 115.35 1nee s ILE 113 Ca 0.37 0.17 0.01 0.00 -0.26 0.00 0.00 60.65 60.94 1nee s ILE 113 Cb -0.17 -0.14 0.01 0.00 1.25 0.00 0.00 42.46 43.42 1nee s ILE 113 CO 0.13 0.10 -0.02 0.00 0.24 0.00 0.00 174.94 175.39 1nee s ARG 114 N 1.02 0.38 0.05 0.37 3.03 -1.25 -2.24 118.95 120.30 1nee s ARG 114 Ca -0.09 -0.05 0.04 0.00 2.03 0.00 0.00 55.73 57.66 1nee s ARG 114 Cb -0.13 -0.44 -0.02 0.00 -1.03 0.00 0.00 34.95 33.33 1nee s ARG 114 CO -0.03 -0.02 -0.13 -1.83 -1.13 0.00 0.00 175.30 172.17 1nee s GLU 115 N 0.47 0.82 -0.11 3.89 -1.05 -0.88 -4.88 118.70 116.96 1nee s GLU 115 Ca -0.05 -0.77 -0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1nee s GLU 115 Cb -0.08 -0.79 -0.00 0.00 -0.44 0.00 0.00 34.13 32.81 1nee s GLU 115 CO -0.01 0.19 0.10 0.41 0.95 0.00 0.00 175.26 176.90 1nee n GLY 116 N 1.74 -0.01 3.39 -3.83 0.00 -1.26 -2.28 105.19 102.94 1nee n GLY 116 Ca -0.19 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1nee n GLY 116 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nee n ARG 117 N -1.33 -1.27 -3.84 1.61 0.00 -1.26 -1.88 116.66 108.69 1nee n ARG 117 Ca -0.00 0.70 -0.31 0.00 -0.00 0.00 0.00 57.85 58.24 1nee n ARG 117 Cb 0.51 -1.68 0.01 0.00 -0.00 0.00 0.00 32.46 31.30 1nee n ARG 117 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1nee n ILE 118 N -1.70 -3.64 0.00 8.89 3.06 -1.26 -4.90 119.36 119.81 1nee n ILE 118 Ca -0.21 -0.26 0.00 0.00 -2.50 0.00 0.00 62.75 59.78 1nee n ILE 118 Cb 0.54 -3.02 0.00 0.00 0.54 0.00 0.00 39.64 37.70 1nee n ILE 118 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1nee n SER 119 N -2.44 3.28 -4.23 9.51 7.64 -0.79 -5.01 113.62 121.58 1nee n SER 119 Ca -0.23 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.41 1nee n SER 119 Cb 0.64 0.12 -0.14 0.00 -1.01 0.00 0.00 64.21 63.82 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nee s LEU 120 N -4.14 2.17 -0.13 -3.43 2.01 -0.96 -5.00 118.68 109.20 1nee s LEU 120 Ca 0.00 -0.51 -0.17 0.00 0.01 0.00 0.00 54.13 53.46 1nee s LEU 120 Cb 0.00 -0.89 0.04 0.00 0.01 0.00 0.00 46.19 45.35 1nee s LEU 120 CO 0.00 0.13 0.45 -0.76 1.01 0.00 0.00 176.35 177.18 1nee s LEU 121 N -1.19 0.28 0.05 1.79 1.02 -0.77 -2.08 118.68 117.78 1nee s LEU 121 Ca 0.06 0.73 0.09 0.00 0.02 0.00 0.00 54.13 55.03 1nee s LEU 121 Cb -0.09 1.61 -0.03 0.00 0.02 0.00 0.00 46.19 47.71 1nee s LEU 121 CO 0.02 -0.27 -0.24 -0.75 0.02 0.00 0.00 176.35 175.13 1nee s LYS 122 N -0.24 1.62 -0.29 1.70 2.20 -0.95 -2.42 119.74 121.36 1nee s LYS 122 Ca -0.04 -1.06 0.21 0.00 -0.36 0.00 0.00 55.97 54.72 1nee s LYS 122 Cb -0.03 -1.79 0.49 0.00 -1.51 0.00 0.00 37.83 34.99 1nee s LYS 122 CO 0.02 0.46 1.08 0.00 -0.36 0.00 0.00 175.35 176.55 1nee h GLU 124 N 2.65 0.00 0.00 0.00 4.39 -1.87 -2.48 114.58 117.28 1nee h GLU 124 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1nee h GLU 124 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1nee h GLU 124 CO 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1nee n ALA 125 N -2.61 -0.22 -0.85 3.43 0.00 -1.26 -3.72 120.51 115.27 1nee n ALA 125 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1nee n ALA 125 Cb 1.28 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.63 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 2.03 0.29 3.34 0.00 0.00 -0.99 -4.74 105.19 105.12 1nee n GLY 127 Ca 0.29 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -2.00 -1.08 0.04 4.61 0.00 -1.12 -3.82 121.76 118.39 1nee s ALA 128 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 1nee s ALA 128 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1nee s ALA 128 CO 0.00 -0.45 0.40 0.15 0.00 0.00 0.00 175.76 175.86 1nee s LYS 129 N -2.38 0.89 -0.60 0.00 1.02 -1.26 -4.59 119.74 112.82 1nee s LYS 129 Ca -0.06 -0.34 -0.27 0.00 0.02 0.00 0.00 55.97 55.32 1nee s LYS 129 Cb -0.01 0.40 0.03 0.00 -0.52 0.00 0.00 37.83 37.73 1nee s LYS 129 CO -0.02 -0.30 1.17 0.00 -0.92 0.00 0.00 175.35 175.29 1nee s ALA 130 N -2.33 2.98 0.22 5.17 0.00 -1.02 -4.45 121.76 122.33 1nee s ALA 130 Ca -0.06 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.02 1nee s ALA 130 Cb -0.01 -4.03 0.15 0.00 0.00 0.00 0.00 23.12 19.22 1nee s ALA 130 CO -0.01 -2.73 1.49 -1.00 0.00 0.00 0.00 175.76 173.51 1nee h PRO 131 N 9.59 0.01 0.00 0.00 0.13 -1.93 -2.05 132.00 137.76 1nee h PRO 131 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1nee h PRO 131 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1nee h PRO 131 CO 1.19 0.76 0.00 -0.11 -0.23 0.00 0.00 178.00 179.61 1nee n LEU 132 N -3.64 -0.81 0.04 1.56 7.94 -1.26 -4.43 117.00 116.41 1nee n LEU 132 Ca -0.01 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1nee n LEU 132 Cb 0.73 1.12 0.00 0.00 0.53 0.00 0.00 43.42 45.81 1nee n LEU 132 CO 0.44 0.06 0.00 0.29 -1.11 0.00 0.00 177.39 177.07 1nee n LYS 133 N -2.99 0.00 -2.96 1.96 5.02 -1.26 -5.11 118.16 112.82 1nee n LYS 133 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1nee n LYS 133 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1nee n LYS 133 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1nee s ASN 134 N -1.25 -0.57 0.00 4.39 -0.87 -1.26 -5.12 114.94 110.26 1nee s ASN 134 Ca 0.00 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 1nee s ASN 134 Cb 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 41.25 42.19 1nee s ASN 134 CO 0.00 -0.08 0.13 0.55 -2.57 0.00 0.00 177.10 175.14