#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 0.85 -2.94 6.12 -0.08 -1.26 -5.13 116.55 114.11 1nee n ASP 2 Ca 0.00 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1nee n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1nee n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nee n ASP 3 N -1.13 -1.56 -4.61 1.67 8.00 -1.26 -4.80 116.55 112.87 1nee n ASP 3 Ca 0.00 -0.13 -0.46 0.00 0.71 0.00 0.00 54.79 54.91 1nee n ASP 3 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1nee n ASP 3 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nee n TYR 4 N -2.68 2.12 0.12 1.24 4.02 -1.26 -4.84 117.16 115.87 1nee n TYR 4 Ca 0.00 -0.05 0.04 0.00 -0.01 0.00 0.00 57.90 57.88 1nee n TYR 4 Cb 0.00 -2.68 0.01 0.00 -0.02 0.00 0.00 39.34 36.65 1nee n TYR 4 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1nee h GLU 5 N 11.83 0.00 -1.47 -0.72 5.08 -2.02 -3.48 114.58 123.81 1nee h GLU 5 Ca -0.43 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.16 1nee h GLU 5 Cb 1.27 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.31 1nee h GLU 5 CO 0.96 0.32 0.79 0.15 -1.00 0.00 0.00 179.01 180.23 1nee s LYS 6 N -3.03 0.33 0.00 2.33 1.02 -1.26 -5.12 119.74 114.01 1nee s LYS 6 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1nee s LYS 6 Cb 0.08 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1nee s LYS 6 CO 0.76 -0.13 0.00 -0.11 -0.92 0.00 0.00 175.35 174.95 1nee n LEU 7 N 0.07 0.71 -4.78 3.17 0.00 -1.26 -5.02 117.00 109.88 1nee n LEU 7 Ca -0.01 0.11 -0.22 0.00 0.00 0.00 0.00 56.01 55.88 1nee n LEU 7 Cb 0.58 -0.24 -0.05 0.00 0.00 0.00 0.00 43.42 43.72 1nee n LEU 7 CO 0.09 -0.24 -0.19 -1.48 0.00 0.00 0.00 177.39 175.58 1nee s LEU 8 N -3.26 3.63 0.00 -1.96 2.34 -1.26 -5.13 118.68 113.04 1nee s LEU 8 Ca 0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 54.13 53.80 1nee s LEU 8 Cb 0.00 -2.17 0.00 0.00 -0.56 0.00 0.00 46.19 43.47 1nee s LEU 8 CO 0.00 -0.08 0.13 -1.84 -1.06 0.00 0.00 176.35 173.50 1nee n GLU 9 N -1.14 0.19 0.12 1.48 0.28 -1.26 -5.05 120.64 115.26 1nee n GLU 9 Ca -0.07 -0.72 -0.03 0.00 -0.16 0.00 0.00 57.16 56.18 1nee n GLU 9 Cb 0.58 0.70 0.12 0.00 1.43 0.00 0.00 31.44 34.28 1nee n GLU 9 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1nee h ARG 10 N 0.00 0.06 -1.43 3.44 1.12 -2.06 -3.45 114.38 112.06 1nee h ARG 10 Ca -0.07 -0.05 0.12 0.00 -1.11 0.00 0.00 59.98 58.87 1nee h ARG 10 Cb 0.31 0.01 -0.24 0.00 -0.01 0.00 0.00 29.97 30.04 1nee h ARG 10 CO 0.10 0.71 0.19 0.00 -3.11 0.00 0.00 179.97 177.86 1nee s ALA 11 N -3.53 -2.38 -0.37 2.80 0.00 -1.26 -5.03 121.76 111.99 1nee s ALA 11 Ca -0.02 2.19 0.07 0.00 0.00 0.00 0.00 51.96 54.20 1nee s ALA 11 Cb 0.12 -1.84 0.66 0.00 0.00 0.00 0.00 23.12 22.06 1nee s ALA 11 CO 0.78 -0.71 1.74 -0.89 0.00 0.00 0.00 175.76 176.68 1nee n ILE 12 N 4.61 2.78 0.00 0.00 5.41 -1.26 -4.02 119.36 126.89 1nee n ILE 12 Ca -0.13 -1.53 0.00 0.00 1.00 0.00 0.00 62.75 62.08 1nee n ILE 12 Cb 0.54 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1nee n ILE 12 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1nee n ASP 13 N -0.36 0.02 0.24 4.38 8.00 -1.26 -4.35 116.55 123.22 1nee n ASP 13 Ca 0.42 0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.79 1nee n ASP 13 Cb 1.38 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.40 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1nee h GLN 14 N 0.00 -0.58 -5.06 -1.24 1.08 -1.92 -3.46 115.11 103.92 1nee h GLN 14 Ca 0.00 0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1nee h GLN 14 Cb 0.48 0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 27.91 1nee h GLN 14 CO 0.00 -0.30 -1.55 -0.11 -0.95 0.00 0.00 178.83 175.92 1nee n LEU 15 N -5.28 -6.09 -4.64 1.46 7.94 -1.26 -4.65 117.00 104.49 1nee n LEU 15 Ca -0.11 2.29 -0.45 0.00 -1.11 0.00 0.00 56.01 56.62 1nee n LEU 15 Cb 0.29 -3.22 -0.02 0.00 0.53 0.00 0.00 43.42 40.99 1nee n LEU 15 CO 0.33 -4.04 0.86 -0.81 -1.11 0.00 0.00 177.39 172.61 1nee n PRO 16 N 1.78 1.74 -1.59 1.96 -0.04 -1.26 -4.79 135.00 132.80 1nee n PRO 16 Ca -0.41 0.62 -0.18 0.00 -0.04 0.00 0.00 63.50 63.48 1nee n PRO 16 Cb 0.64 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1nee n PRO 16 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nee s PRO 17 N -0.83 1.72 0.00 0.54 0.04 -1.26 -3.80 135.00 131.40 1nee s PRO 17 Ca 0.66 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1nee s PRO 17 Cb -0.69 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1nee s PRO 17 CO 0.54 -4.20 0.00 -1.91 0.04 0.00 0.00 177.00 171.46 1nee n GLU 18 N 8.86 0.00 -3.75 4.56 2.13 -1.26 -5.15 120.64 126.03 1nee n GLU 18 Ca 0.45 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.97 1nee n GLU 18 Cb 0.45 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.13 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 -0.75 5.24 0.16 6.31 -7.23 -1.25 -5.09 120.40 117.79 1nee s VAL 19 Ca 0.00 -0.25 -0.23 0.00 -1.81 0.00 0.00 61.98 59.69 1nee s VAL 19 Cb 0.00 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 33.19 1nee s VAL 19 CO 0.00 -0.03 0.73 0.12 -0.31 0.00 0.00 175.10 175.61 1nee s PHE 20 N -1.71 3.83 -0.32 2.82 2.19 -1.26 -4.81 117.98 118.72 1nee s PHE 20 Ca 0.38 1.51 -0.10 0.00 0.33 0.00 0.00 56.93 59.06 1nee s PHE 20 Cb -0.12 -2.69 0.19 0.00 -1.31 0.00 0.00 43.02 39.09 1nee s PHE 20 CO 0.27 0.49 1.05 -2.00 1.83 0.00 0.00 175.22 176.86 1nee s GLU 21 N -1.33 0.16 0.03 10.12 2.12 -1.26 -5.04 118.70 123.49 1nee s GLU 21 Ca 0.36 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 1nee s GLU 21 Cb -0.21 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.22 1nee s GLU 21 CO 0.24 -0.25 0.04 -2.37 -0.54 0.00 0.00 175.26 172.38 1nee n THR 22 N 4.05 0.00 -3.49 -1.70 5.66 -1.26 -4.85 114.28 112.69 1nee n THR 22 Ca 0.07 -0.04 -0.38 0.00 -3.05 0.00 0.00 64.05 60.64 1nee n THR 22 Cb 0.62 -1.68 -0.10 0.00 -1.55 0.00 0.00 70.33 67.62 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 -2.79 3.99 -0.03 1.09 0.00 -1.26 -4.96 119.74 115.78 1nee s LYS 23 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 55.97 55.85 1nee s LYS 23 Cb -0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 37.83 34.12 1nee s LYS 23 CO 0.02 -0.21 2.49 0.54 0.00 0.00 0.00 175.35 178.19 1nee n ARG 24 N 5.13 1.38 -3.31 1.78 3.00 -1.26 -4.83 116.66 118.54 1nee n ARG 24 Ca -0.11 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.85 56.86 1nee n ARG 24 Cb 0.51 -1.36 -0.09 0.00 0.00 0.00 0.00 32.46 31.53 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1nee s PHE 25 N 0.14 3.17 -0.09 -1.55 0.08 -1.26 -5.03 117.98 113.43 1nee s PHE 25 Ca 0.23 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1nee s PHE 25 Cb 0.12 -2.88 0.05 0.00 -0.57 0.00 0.00 43.02 39.73 1nee s PHE 25 CO -0.01 -0.64 0.20 -2.00 -0.10 0.00 0.00 175.22 172.68 1nee s GLU 26 N 2.19 0.13 -0.44 0.44 -6.30 -1.26 -5.10 118.70 108.36 1nee s GLU 26 Ca 0.13 0.52 0.05 0.00 -2.50 0.00 0.00 54.97 53.17 1nee s GLU 26 Cb -0.17 -0.16 0.17 0.00 0.00 0.00 0.00 34.13 33.98 1nee s GLU 26 CO 0.14 -0.21 0.49 0.08 0.02 0.00 0.00 175.26 175.78 1nee s VAL 27 N 1.62 -0.34 0.71 3.70 1.01 -1.26 -5.15 120.40 120.69 1nee s VAL 27 Ca -0.05 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 1nee s VAL 27 Cb -0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1nee s VAL 27 CO -0.07 -0.61 0.84 -2.65 0.00 0.00 0.00 175.10 172.61 1nee n PRO 28 N 3.29 0.47 -2.75 2.72 -0.02 -1.26 -4.31 135.00 133.13 1nee n PRO 28 Ca 0.20 0.21 -0.02 0.00 -2.02 0.00 0.00 63.50 61.87 1nee n PRO 28 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1nee n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nee n LYS 29 N -1.47 -3.24 0.00 -0.52 4.76 -1.26 -5.02 118.16 111.42 1nee n LYS 29 Ca 0.12 2.64 0.00 0.00 -2.87 0.00 0.00 58.31 58.20 1nee n LYS 29 Cb 0.49 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.21 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nee n ALA 30 N 0.46 3.00 -1.55 7.82 0.00 -1.26 -5.07 120.51 123.91 1nee n ALA 30 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1nee n ALA 30 Cb 0.12 0.35 0.01 0.00 0.00 0.00 0.00 19.45 19.93 1nee n ALA 30 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1nee n TYR 31 N -2.89 0.53 -0.37 0.00 4.11 -1.26 -4.35 117.16 112.93 1nee n TYR 31 Ca 0.00 0.57 -0.16 0.00 -0.00 0.00 0.00 57.90 58.30 1nee n TYR 31 Cb 0.34 -2.13 0.15 0.00 -0.00 0.00 0.00 39.34 37.70 1nee n TYR 31 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1nee n SER 32 N 0.68 -2.59 -4.18 9.48 7.64 -1.26 -5.02 113.62 118.36 1nee n SER 32 Ca 0.11 -0.61 -0.25 0.00 1.01 0.00 0.00 58.87 59.13 1nee n SER 32 Cb 0.40 -0.53 -0.15 0.00 -1.01 0.00 0.00 64.21 62.92 1nee n SER 32 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nee s VAL 33 N -1.76 1.42 -0.11 0.44 1.01 -1.25 -4.94 120.40 115.22 1nee s VAL 33 Ca 0.36 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1nee s VAL 33 Cb -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1nee s VAL 33 CO 0.30 0.33 -0.24 -0.63 0.00 0.00 0.00 175.10 174.86 1nee s ILE 34 N -0.52 2.08 -0.04 2.22 1.09 -1.26 -0.08 121.20 124.68 1nee s ILE 34 Ca 0.06 -1.01 -0.01 0.00 -1.10 0.00 0.00 60.65 58.59 1nee s ILE 34 Cb -0.07 -1.80 0.03 0.00 -1.06 0.00 0.00 42.46 39.57 1nee s ILE 34 CO -0.00 0.56 0.09 -1.10 -0.10 0.00 0.00 174.94 174.38 1nee s GLN 35 N 0.41 0.01 0.00 2.79 -0.21 -0.86 -4.99 119.66 116.80 1nee s GLN 35 Ca -0.17 0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1nee s GLN 35 Cb -0.18 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.58 1nee s GLN 35 CO 0.07 -0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 1nee n GLY 36 N 4.39 0.90 0.98 3.09 0.00 -1.26 -1.87 105.19 111.42 1nee n GLY 36 Ca -0.23 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1nee n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nee n ASN 37 N 2.11 -0.81 -4.04 1.61 5.03 -1.26 -5.14 115.26 112.76 1nee n ASN 37 Ca 0.00 -1.60 -0.08 0.00 0.87 0.00 0.00 54.58 53.77 1nee n ASN 37 Cb 0.00 0.26 -0.10 0.00 -1.02 0.00 0.00 39.78 38.91 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nee s ARG 38 N 0.01 0.49 -0.25 3.52 1.70 -0.78 -3.36 118.95 120.27 1nee s ARG 38 Ca 0.00 -0.96 -0.07 0.00 -0.47 0.00 0.00 55.73 54.23 1nee s ARG 38 Cb 0.02 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1nee s ARG 38 CO -0.01 -0.09 0.07 -0.08 -1.08 0.00 0.00 175.30 174.12 1nee s THR 39 N -2.89 4.30 -1.20 4.99 -1.32 0.10 -2.04 115.64 117.59 1nee s THR 39 Ca -0.03 -0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 60.11 1nee s THR 39 Cb 0.00 -3.03 0.16 0.00 -1.51 0.00 0.00 72.50 68.13 1nee s THR 39 CO -0.06 0.32 1.43 -0.36 -2.21 0.00 0.00 174.62 173.74 1nee s PHE 40 N 1.61 3.44 -0.37 9.09 0.40 0.89 -1.79 117.98 131.24 1nee s PHE 40 Ca 0.06 -2.06 -0.28 0.00 -0.60 0.00 0.00 56.93 54.05 1nee s PHE 40 Cb -0.15 -4.34 -0.01 0.00 0.51 0.00 0.00 43.02 39.03 1nee s PHE 40 CO 0.04 -1.43 1.67 0.42 0.70 0.00 0.00 175.22 176.62 1nee s ILE 41 N 1.81 3.61 -0.17 0.64 1.01 -0.89 -3.78 121.20 123.42 1nee s ILE 41 Ca 0.43 0.61 0.08 0.00 0.00 0.00 0.00 60.65 61.77 1nee s ILE 41 Cb -0.03 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.43 1nee s ILE 41 CO -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 174.94 174.33 1nee n GLN 42 N 8.36 1.05 -2.22 2.79 6.02 -1.26 -2.16 117.38 129.96 1nee n GLN 42 Ca 0.21 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.91 1nee n GLN 42 Cb 0.47 -1.39 0.02 0.00 1.02 0.00 0.00 30.24 30.36 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nee n ASN 43 N -2.79 6.09 -0.33 1.08 4.13 -1.26 -4.83 115.26 117.35 1nee n ASN 43 Ca -0.29 -3.78 0.21 0.00 1.68 0.00 0.00 54.58 52.40 1nee n ASN 43 Cb 0.94 -0.76 0.43 0.00 -1.54 0.00 0.00 39.78 38.85 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1nee h PHE 44 N 2.80 0.76 0.14 3.10 -0.00 -1.96 1.64 116.94 123.43 1nee h PHE 44 Ca 0.43 0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 58.43 1nee h PHE 44 Cb 0.48 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 36.25 1nee h PHE 44 CO 1.00 -0.20 -0.07 -0.09 -0.00 0.00 0.00 178.31 178.95 1nee h ARG 45 N 0.28 -0.18 0.45 6.09 9.65 -1.99 0.11 114.38 128.80 1nee h ARG 45 Ca 0.69 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.56 1nee h ARG 45 Cb 1.54 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1nee h ARG 45 CO -0.63 0.12 -0.22 1.49 2.80 0.00 0.00 179.97 183.53 1nee h GLU 46 N -0.49 -0.59 -0.88 0.20 4.81 -1.13 -2.79 114.58 113.72 1nee h GLU 46 Ca -0.02 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.44 1nee h GLU 46 Cb 0.39 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 1nee h GLU 46 CO 0.03 -0.31 0.58 0.28 -0.73 0.00 0.00 179.01 178.86 1nee h VAL 47 N -1.07 0.72 0.85 0.32 2.07 0.21 -2.36 116.25 117.00 1nee h VAL 47 Ca -0.06 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1nee h VAL 47 Cb 0.55 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nee h VAL 47 CO 0.10 0.08 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 1nee h ALA 48 N 1.62 -1.27 -0.11 1.67 0.00 -0.94 -1.86 119.26 118.36 1nee h ALA 48 Ca 0.45 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1nee h ALA 48 Cb 1.04 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1nee h ALA 48 CO -0.18 -1.19 -0.28 0.22 0.00 0.00 0.00 179.25 177.83 1nee h ASP 49 N -1.18 -0.91 -0.39 0.00 3.58 -1.15 0.40 116.42 116.78 1nee h ASP 49 Ca -0.12 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.50 1nee h ASP 49 Cb 0.88 0.36 -0.09 0.00 1.72 0.00 0.00 39.33 42.20 1nee h ASP 49 CO 0.19 -0.23 -0.49 0.00 -2.88 0.00 0.00 179.24 175.83 1nee h ALA 50 N -0.79 -0.60 0.00 -0.78 0.00 -1.55 0.56 119.26 116.10 1nee h ALA 50 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nee h ALA 50 Cb 0.33 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nee h ALA 50 CO -0.25 -0.96 0.00 -0.11 0.00 0.00 0.00 179.25 177.94 1nee n LEU 51 N -5.40 0.13 0.00 0.00 7.94 -0.70 -3.66 117.00 115.30 1nee n LEU 51 Ca -0.02 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1nee n LEU 51 Cb 0.35 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1nee n LEU 51 CO 0.03 -0.43 0.00 -3.20 -1.11 0.00 0.00 177.39 172.68 1nee n ASN 52 N -1.65 0.00 -0.33 1.96 5.15 0.18 -4.74 115.26 115.83 1nee n ASN 52 Ca 0.02 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.18 1nee n ASN 52 Cb 0.11 0.00 0.43 0.00 -0.53 0.00 0.00 39.78 39.79 1nee n ASN 52 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1nee h ARG 53 N 0.00 0.53 -6.45 1.20 3.08 -1.41 -3.13 114.38 108.20 1nee h ARG 53 Ca 0.00 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.48 1nee h ARG 53 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1nee h ARG 53 CO 0.00 0.35 0.46 0.34 -1.07 0.00 0.00 179.97 180.05 1nee s ASP 54 N -5.32 7.23 -0.04 7.04 2.15 -1.26 -4.68 116.67 121.79 1nee s ASP 54 Ca -0.10 1.83 -0.20 0.00 0.43 0.00 0.00 52.55 54.51 1nee s ASP 54 Cb 0.25 -2.57 -0.14 0.00 -0.30 0.00 0.00 42.92 40.16 1nee s ASP 54 CO 0.80 -0.36 0.87 1.55 -0.17 0.00 0.00 175.17 177.85 1nee h PRO 55 N 6.78 -0.33 -0.03 4.34 0.13 -1.91 -3.18 132.00 137.80 1nee h PRO 55 Ca -0.41 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1nee h PRO 55 Cb 1.22 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nee h PRO 55 CO 0.78 0.01 0.32 0.37 -0.23 0.00 0.00 178.00 179.25 1nee h GLN 56 N -0.93 0.00 0.52 0.86 -0.00 -1.95 -2.18 115.11 111.43 1nee h GLN 56 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 1nee h GLN 56 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.98 1nee h GLN 56 CO 0.06 0.00 -0.25 0.45 0.00 0.00 0.00 178.83 179.09 1nee h HIS 57 N 0.00 -0.65 -0.95 3.99 3.86 -1.93 -2.31 115.15 117.17 1nee h HIS 57 Ca 0.01 -0.02 0.29 0.00 -1.16 0.00 0.00 60.37 59.50 1nee h HIS 57 Cb 0.65 0.21 -0.15 0.00 1.06 0.00 0.00 27.41 29.18 1nee h HIS 57 CO 0.00 -0.40 0.35 1.25 0.86 0.00 0.00 177.93 179.99 1nee h LEU 58 N -1.04 0.14 0.62 2.43 5.85 -1.45 0.23 115.31 122.10 1nee h LEU 58 Ca -0.07 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1nee h LEU 58 Cb 0.54 0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1nee h LEU 58 CO 0.12 -0.21 -0.30 0.25 -0.34 0.00 0.00 178.44 177.96 1nee h LEU 59 N 0.19 -0.71 -1.43 2.25 5.85 -1.56 0.31 115.31 120.21 1nee h LEU 59 Ca 0.65 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.50 1nee h LEU 59 Cb 1.44 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.60 1nee h LEU 59 CO -0.69 -0.40 0.55 0.50 -0.34 0.00 0.00 178.44 178.06 1nee h LYS 60 N -1.01 0.53 -0.29 1.25 3.64 -0.51 -0.84 116.57 119.34 1nee h LYS 60 Ca -0.09 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1nee h LYS 60 Cb 0.69 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1nee h LYS 60 CO 0.14 0.35 -0.26 0.74 -2.27 0.00 0.00 179.45 178.15 1nee h PHE 61 N 0.55 0.81 -0.08 1.91 0.04 -0.40 -0.75 116.94 119.02 1nee h PHE 61 Ca 0.42 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.97 1nee h PHE 61 Cb 0.82 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 1nee h PHE 61 CO -0.00 0.97 -0.05 -0.07 -0.60 0.00 0.00 178.31 178.56 1nee h LEU 62 N 0.42 -0.17 -1.04 1.54 3.38 0.48 -2.17 115.31 117.75 1nee h LEU 62 Ca 0.05 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1nee h LEU 62 Cb 0.82 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1nee h LEU 62 CO 0.07 -0.07 -0.44 -0.07 0.09 0.00 0.00 178.44 178.01 1nee h LEU 63 N -0.06 0.07 -0.84 1.67 3.38 -1.42 0.33 115.31 118.45 1nee h LEU 63 Ca 0.05 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1nee h LEU 63 Cb 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1nee h LEU 63 CO -0.11 0.51 0.52 0.03 0.09 0.00 0.00 178.44 179.48 1nee h ARG 64 N 0.06 0.94 0.00 1.13 3.08 -0.50 -2.82 114.38 116.27 1nee h ARG 64 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1nee h ARG 64 Cb 0.81 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1nee h ARG 64 CO 0.06 0.62 -1.50 0.39 -1.07 0.00 0.00 179.97 178.47 1nee n GLU 65 N -4.62 0.53 -1.76 0.04 1.02 -0.97 -4.83 120.64 110.05 1nee n GLU 65 Ca 0.12 -0.11 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1nee n GLU 65 Cb 0.16 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nee s LEU 66 N -3.77 2.84 0.00 -4.62 1.02 0.12 -4.11 118.68 110.16 1nee s LEU 66 Ca -0.01 -0.57 0.17 0.00 0.02 0.00 0.00 54.13 53.74 1nee s LEU 66 Cb 0.14 -2.57 0.99 0.00 0.02 0.00 0.00 46.19 44.77 1nee s LEU 66 CO 0.84 -3.71 1.43 0.61 0.02 0.00 0.00 176.35 175.54 1nee n GLY 67 N 6.55 -0.58 3.78 -3.19 0.00 -1.26 -4.75 105.19 105.74 1nee n GLY 67 Ca 0.44 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.09 2.46 0.16 2.61 -4.23 -1.25 -5.00 115.64 108.29 1nee s THR 68 Ca 0.24 -1.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1nee s THR 68 Cb 0.12 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.18 1nee s THR 68 CO 0.21 -0.01 0.81 0.00 -0.54 0.00 0.00 174.62 175.09 1nee n ALA 69 N -1.32 0.23 -2.21 3.99 0.00 -1.26 -4.83 120.51 115.11 1nee n ALA 69 Ca 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 53.44 53.97 1nee n ALA 69 Cb 0.64 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.28 -4.65 3.70 0.00 0.00 -1.23 -5.01 105.19 96.72 1nee n GLY 70 Ca 0.11 0.98 -0.08 0.00 0.00 0.00 0.00 46.02 47.02 1nee n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nee s ASN 71 N -0.45 -0.36 -0.37 1.61 2.47 -1.26 -4.92 114.94 111.66 1nee s ASN 71 Ca -0.18 -0.37 -0.16 0.00 0.42 0.00 0.00 52.86 52.57 1nee s ASN 71 Cb 0.01 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.47 1nee s ASN 71 CO 0.47 -1.17 0.37 -0.76 -3.72 0.00 0.00 177.10 172.30 1nee s LEU 72 N -2.85 4.63 0.20 3.21 2.01 -1.26 -2.20 118.68 122.41 1nee s LEU 72 Ca 0.08 -0.43 0.06 0.00 0.01 0.00 0.00 54.13 53.84 1nee s LEU 72 Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 46.19 43.79 1nee s LEU 72 CO -0.00 -0.42 0.18 -1.61 1.01 0.00 0.00 176.35 175.50 1nee s GLU 73 N 2.01 2.96 0.38 1.70 2.02 -0.69 -4.68 118.70 122.41 1nee s GLU 73 Ca 0.11 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1nee s GLU 73 Cb -0.17 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1nee s GLU 73 CO 0.12 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1nee n GLY 74 N -0.69 -2.43 0.46 -1.39 0.00 -1.26 -2.25 105.19 97.62 1nee n GLY 74 Ca -0.08 -1.18 0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.13 0.00 0.00 -0.02 0.00 -2.02 -3.41 103.07 96.50 1nee h GLY 75 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1nee h GLY 75 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 1nee n ARG 76 N -3.78 3.40 -3.71 4.80 3.00 -1.25 -5.05 116.66 114.07 1nee n ARG 76 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.71 1nee n ARG 76 Cb 0.98 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.34 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 77 N -3.00 3.70 -2.74 7.54 0.00 -0.92 -4.26 120.51 120.83 1nee n ALA 77 Ca 0.00 -4.62 -0.42 0.00 0.00 0.00 0.00 53.44 48.39 1nee n ALA 77 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N -1.80 4.22 0.51 0.00 1.01 -0.96 -2.10 121.20 122.08 1nee s ILE 78 Ca 0.30 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.36 1nee s ILE 78 Cb 0.01 -4.86 0.06 0.00 0.01 0.00 0.00 42.46 37.68 1nee s ILE 78 CO -0.11 -1.68 0.70 -1.48 0.00 0.00 0.00 174.94 172.37 1nee s LEU 79 N 4.23 3.31 -0.02 2.97 0.05 -0.74 -1.70 118.68 126.78 1nee s LEU 79 Ca 0.34 -0.69 0.00 0.00 0.05 0.00 0.00 54.13 53.83 1nee s LEU 79 Cb -0.07 -2.02 0.02 0.00 -2.05 0.00 0.00 46.19 42.07 1nee s LEU 79 CO -0.00 -1.11 0.01 -1.58 -0.55 0.00 0.00 176.35 173.12 1nee s GLN 80 N -4.53 0.09 0.00 1.48 -0.44 -1.26 -0.73 119.66 114.27 1nee s GLN 80 Ca 0.59 0.09 0.00 0.00 -2.50 0.00 0.00 55.36 53.54 1nee s GLN 80 Cb -0.07 -0.27 0.00 0.00 -1.64 0.00 0.00 33.01 31.03 1nee s GLN 80 CO 0.36 -0.11 0.00 0.41 0.50 0.00 0.00 175.29 176.46 1nee n GLY 81 N 3.86 -1.24 0.57 2.59 0.00 -1.21 -3.47 105.19 106.29 1nee n GLY 81 Ca -0.23 0.72 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -0.89 1.61 4.81 -1.26 -4.61 118.16 117.82 1nee n LYS 82 Ca 0.00 -0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 56.92 1nee n LYS 82 Cb 0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 35.03 34.81 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1nee n PHE 83 N 0.02 0.00 -1.64 5.64 3.01 -1.26 -4.77 117.46 118.46 1nee n PHE 83 Ca -0.02 -1.38 -0.37 0.00 1.01 0.00 0.00 57.45 56.69 1nee n PHE 83 Cb 0.59 -1.37 -0.05 0.00 -0.01 0.00 0.00 39.48 38.63 1nee n PHE 83 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1nee n THR 84 N 2.32 2.01 -4.10 4.37 5.66 -1.26 -4.19 114.28 119.09 1nee n THR 84 Ca 0.34 -1.93 -0.34 0.00 -3.05 0.00 0.00 64.05 59.07 1nee n THR 84 Cb 0.83 -2.26 -0.05 0.00 -1.55 0.00 0.00 70.33 67.29 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nee n HIS 85 N 10.52 -1.42 0.00 1.09 1.44 -1.26 -4.83 115.22 120.75 1nee n HIS 85 Ca 0.48 0.59 0.00 0.00 -2.01 0.00 0.00 57.72 56.77 1nee n HIS 85 Cb 0.43 -1.98 0.00 0.00 0.12 0.00 0.00 29.99 28.56 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 -3.87 0.00 -0.02 -1.40 3.72 -1.26 -4.12 117.46 110.51 1nee n PHE 86 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 1nee n PHE 86 Cb 0.47 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.84 1nee n PHE 86 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nee h LEU 87 N 0.00 0.60 0.53 4.37 7.12 -1.89 -2.52 115.31 123.52 1nee h LEU 87 Ca 0.00 -0.67 -0.02 0.00 0.13 0.00 0.00 57.88 57.32 1nee h LEU 87 Cb 0.00 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.94 1nee h LEU 87 CO 0.00 1.18 -0.36 0.40 -0.13 0.00 0.00 178.44 179.52 1nee h ILE 88 N 0.07 0.00 -0.69 4.05 2.04 -1.89 -2.32 117.51 118.77 1nee h ILE 88 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1nee h ILE 88 Cb 1.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1nee h ILE 88 CO 0.11 0.00 0.36 -1.13 0.00 0.00 0.00 178.15 177.49 1nee h ASN 89 N -0.85 0.51 0.07 1.72 -0.00 -1.72 -0.60 115.58 114.72 1nee h ASN 89 Ca -0.07 0.04 0.02 0.00 -0.00 0.00 0.00 56.30 56.30 1nee h ASN 89 Cb 0.69 -0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.92 1nee h ASN 89 CO 0.05 0.31 -0.35 -0.33 -0.00 0.00 0.00 177.43 177.11 1nee h GLU 90 N 0.65 -0.53 -0.38 6.67 4.39 -1.38 0.35 114.58 124.35 1nee h GLU 90 Ca 0.32 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.02 1nee h GLU 90 Cb 0.28 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1nee h GLU 90 CO -0.22 -0.35 0.08 -0.09 -1.16 0.00 0.00 179.01 177.26 1nee h ARG 91 N -0.55 0.62 0.37 2.33 1.12 -1.21 -1.22 114.38 115.84 1nee h ARG 91 Ca 0.04 -0.16 -0.00 0.00 -1.11 0.00 0.00 59.98 58.75 1nee h ARG 91 Cb 0.60 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.46 1nee h ARG 91 CO -0.23 0.66 -0.41 0.82 -3.11 0.00 0.00 179.97 177.71 1nee h ILE 92 N 0.47 0.18 -0.04 1.20 2.04 -0.84 -0.89 117.51 119.63 1nee h ILE 92 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1nee h ILE 92 Cb 0.33 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nee h ILE 92 CO 0.00 0.00 0.06 -0.08 0.00 0.00 0.00 178.15 178.13 1nee h GLU 93 N -0.81 0.00 -0.06 2.37 4.22 -0.93 0.19 114.58 119.57 1nee h GLU 93 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1nee h GLU 93 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1nee h GLU 93 CO -0.09 0.00 0.01 -0.44 -2.18 0.00 0.00 179.01 176.31 1nee h ASP 94 N 0.00 0.09 0.00 1.04 5.19 0.10 -1.65 116.42 121.20 1nee h ASP 94 Ca 0.02 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1nee h ASP 94 Cb 0.13 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1nee h ASP 94 CO -0.00 0.33 -0.35 0.22 -3.12 0.00 0.00 179.24 176.33 1nee h TYR 95 N -0.16 0.00 -0.76 4.55 5.03 -0.94 -3.01 116.97 121.68 1nee h TYR 95 Ca 0.02 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.50 1nee h TYR 95 Cb 0.28 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.44 1nee h TYR 95 CO 0.02 0.00 0.15 0.28 -1.32 0.00 0.00 178.16 177.29 1nee h VAL 96 N -0.98 0.45 -1.73 1.81 2.07 -0.82 -1.23 116.25 115.83 1nee h VAL 96 Ca 0.00 -0.08 -0.67 0.00 0.82 0.00 0.00 66.70 66.77 1nee h VAL 96 Cb 0.35 0.20 -0.35 0.00 -1.52 0.00 0.00 31.29 29.97 1nee h VAL 96 CO 0.00 0.04 0.08 -3.20 0.02 0.00 0.00 177.57 174.51 1nee n ASN 97 N -5.21 5.98 0.06 0.57 2.85 -0.62 -4.69 115.26 114.21 1nee n ASN 97 Ca 0.15 -3.77 0.13 0.00 -0.11 0.00 0.00 54.58 50.98 1nee n ASN 97 Cb 0.50 -0.73 0.46 0.00 1.24 0.00 0.00 39.78 41.25 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1nee n LYS 98 N -0.51 0.16 0.07 1.20 2.85 -0.46 -2.87 118.16 118.61 1nee n LYS 98 Ca 0.46 0.12 -0.13 0.00 -1.05 0.00 0.00 58.31 57.71 1nee n LYS 98 Cb 0.47 -1.68 -0.09 0.00 -0.65 0.00 0.00 35.03 33.09 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 0.00 -0.20 0.00 5.58 -1.00 -1.83 1.15 116.94 120.64 1nee h PHE 99 Ca 0.00 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 1nee h PHE 99 Cb 0.65 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1nee h PHE 99 CO 0.00 0.19 -0.21 0.28 -1.61 0.00 0.00 178.31 176.96 1nee h VAL 100 N -0.64 0.37 0.00 -0.55 2.07 -1.95 0.74 116.25 116.29 1nee h VAL 100 Ca -0.02 -1.47 -0.24 0.00 0.82 0.00 0.00 66.70 65.80 1nee h VAL 100 Cb 0.47 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1nee h VAL 100 CO 0.04 0.21 -1.37 -0.38 0.02 0.00 0.00 177.57 176.08 1nee n ILE 101 N -3.17 1.52 0.77 4.57 5.41 -1.14 -4.27 119.36 123.06 1nee n ILE 101 Ca 0.03 -0.05 0.05 0.00 1.00 0.00 0.00 62.75 63.78 1nee n ILE 101 Cb 0.60 -2.07 0.16 0.00 -0.71 0.00 0.00 39.64 37.62 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nee n HIS 103 N 0.48 -2.03 -3.66 0.00 8.25 -0.47 -3.38 115.22 114.41 1nee n HIS 103 Ca 0.12 0.74 -0.31 0.00 -0.26 0.00 0.00 57.72 58.01 1nee n HIS 103 Cb 0.36 -4.11 0.02 0.00 1.12 0.00 0.00 29.99 27.37 1nee n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1nee n GLU 104 N -4.04 -1.72 -0.79 -0.41 0.28 0.25 -4.67 120.64 109.54 1nee n GLU 104 Ca -0.20 1.06 -0.29 0.00 -0.16 0.00 0.00 57.16 57.57 1nee n GLU 104 Cb 0.64 -2.21 -0.04 0.00 1.43 0.00 0.00 31.44 31.27 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nee n ASN 106 N 5.83 0.00 -3.31 0.00 3.02 -1.26 -4.74 115.26 114.80 1nee n ASN 106 Ca 0.41 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.61 1nee n ASN 106 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1nee n ASN 106 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1nee n ARG 107 N 0.00 4.45 -1.43 3.52 -4.01 -1.26 -4.93 116.66 113.00 1nee n ARG 107 Ca 0.00 -4.65 -0.37 0.00 -1.04 0.00 0.00 57.85 51.79 1nee n ARG 107 Cb 0.00 -2.37 0.06 0.00 -3.04 0.00 0.00 32.46 27.11 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 1nee n PRO 108 N -0.17 0.55 -0.87 2.89 -0.02 -1.26 -4.86 135.00 131.25 1nee n PRO 108 Ca 0.42 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 1nee n PRO 108 Cb 0.32 -1.98 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1nee n PRO 108 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nee n ASP 109 N -0.59 5.06 -4.52 2.55 5.75 -1.26 -4.89 116.55 118.65 1nee n ASP 109 Ca 0.12 -3.10 -0.30 0.00 -0.01 0.00 0.00 54.79 51.50 1nee n ASP 109 Cb 0.49 -0.87 -0.08 0.00 -1.03 0.00 0.00 41.12 39.63 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1nee s THR 110 N -2.44 1.03 -0.63 2.12 -4.23 -1.26 -5.09 115.64 105.14 1nee s THR 110 Ca 0.37 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.65 1nee s THR 110 Cb 0.30 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.89 1nee s THR 110 CO 0.03 0.00 0.94 -0.13 -0.54 0.00 0.00 174.62 174.92 1nee s ARG 111 N -3.81 3.15 -0.00 3.99 0.52 -1.26 -5.02 118.95 116.52 1nee s ARG 111 Ca 0.15 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1nee s ARG 111 Cb 0.03 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.27 1nee s ARG 111 CO 0.08 -1.73 0.07 0.42 0.02 0.00 0.00 175.30 174.17 1nee s ILE 112 N 3.96 4.67 -0.01 1.52 1.01 -1.26 -4.85 121.20 126.24 1nee s ILE 112 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1nee s ILE 112 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1nee s ILE 112 CO 0.12 0.35 -0.01 -0.51 0.00 0.00 0.00 174.94 174.89 1nee s ILE 113 N -1.19 0.10 -0.10 2.92 2.07 -1.26 -4.99 121.20 118.74 1nee s ILE 113 Ca 0.23 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 1nee s ILE 113 Cb -0.12 -0.11 0.03 0.00 0.13 0.00 0.00 42.46 42.39 1nee s ILE 113 CO 0.14 0.05 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.58 1nee s ARG 114 N 0.20 1.05 0.07 3.50 3.52 -1.26 -1.94 118.95 124.09 1nee s ARG 114 Ca -0.02 -0.12 0.08 0.00 -0.13 0.00 0.00 55.73 55.54 1nee s ARG 114 Cb -0.03 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.97 1nee s ARG 114 CO -0.01 -0.31 -0.20 -2.00 -0.81 0.00 0.00 175.30 171.97 1nee s GLU 115 N 1.83 1.25 0.00 5.12 2.12 0.09 -4.73 118.70 124.38 1nee s GLU 115 Ca 0.04 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1nee s GLU 115 Cb -0.13 -1.42 0.00 0.00 0.26 0.00 0.00 34.13 32.84 1nee s GLU 115 CO -0.07 0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 1nee n GLY 116 N 1.52 0.87 2.48 -1.50 0.00 -1.26 -0.84 105.19 106.46 1nee n GLY 116 Ca -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -2.24 -1.05 -3.67 1.61 5.12 -1.26 -3.90 116.66 111.28 1nee n ARG 117 Ca 0.00 1.26 -0.25 0.00 -1.93 0.00 0.00 57.85 56.93 1nee n ARG 117 Cb 0.00 -4.27 0.07 0.00 -1.16 0.00 0.00 32.46 27.09 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1nee n ILE 118 N -1.20 -2.76 -0.00 0.55 5.41 -1.26 -4.88 119.36 115.22 1nee n ILE 118 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.77 1nee n ILE 118 Cb 0.45 -3.72 -0.00 0.00 -0.71 0.00 0.00 39.64 35.65 1nee n ILE 118 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1nee n SER 119 N -2.97 3.21 -4.30 4.38 2.88 -1.25 -4.97 113.62 110.60 1nee n SER 119 Ca 0.02 -0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.36 1nee n SER 119 Cb 0.55 -0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nee s LEU 120 N -5.22 2.46 -0.01 2.46 1.02 -0.02 -4.95 118.68 114.42 1nee s LEU 120 Ca -0.01 -0.90 -0.30 0.00 0.02 0.00 0.00 54.13 52.94 1nee s LEU 120 Cb 0.00 -0.68 0.12 0.00 0.02 0.00 0.00 46.19 45.65 1nee s LEU 120 CO 0.01 -0.12 1.27 -1.48 0.02 0.00 0.00 176.35 176.05 1nee s LEU 121 N -2.80 -0.06 0.06 1.79 0.05 -0.63 -0.74 118.68 116.34 1nee s LEU 121 Ca 0.15 -0.15 0.08 0.00 0.05 0.00 0.00 54.13 54.27 1nee s LEU 121 Cb -0.04 1.43 -0.03 0.00 -2.05 0.00 0.00 46.19 45.50 1nee s LEU 121 CO 0.05 -0.33 -0.23 -0.75 -0.55 0.00 0.00 176.35 174.54 1nee s LYS 122 N -2.47 1.47 -0.33 1.48 2.20 -0.82 -2.10 119.74 119.16 1nee s LYS 122 Ca 0.14 -1.05 0.16 0.00 -0.36 0.00 0.00 55.97 54.86 1nee s LYS 122 Cb 0.04 -1.66 0.45 0.00 -1.51 0.00 0.00 37.83 35.16 1nee s LYS 122 CO -0.04 0.42 1.02 0.00 -0.36 0.00 0.00 175.35 176.39 1nee h GLU 124 N 2.82 0.00 0.00 0.00 4.11 -1.89 -2.03 114.58 117.59 1nee h GLU 124 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1nee h GLU 124 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1nee h GLU 124 CO 0.40 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.48 1nee n ALA 125 N -2.55 -0.13 -0.87 1.06 0.00 -1.26 -3.89 120.51 112.88 1nee n ALA 125 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1nee n ALA 125 Cb 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.04 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 2.33 0.35 3.32 0.00 0.00 -0.96 -4.86 105.19 105.36 1nee n GLY 127 Ca 0.33 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.03 -0.05 4.61 0.00 -0.80 -3.72 121.76 118.76 1nee s ALA 128 Ca 0.00 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.22 1nee s ALA 128 Cb 0.00 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1nee s ALA 128 CO 0.00 -0.37 0.45 0.15 0.00 0.00 0.00 175.76 175.99 1nee s LYS 129 N -1.88 0.77 -0.38 0.00 -0.14 -1.26 -4.56 119.74 112.28 1nee s LYS 129 Ca -0.09 0.09 -0.26 0.00 -1.36 0.00 0.00 55.97 54.35 1nee s LYS 129 Cb -0.02 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 1nee s LYS 129 CO 0.02 -0.21 0.93 0.00 -0.76 0.00 0.00 175.35 175.33 1nee s ALA 130 N -1.02 3.38 -0.03 5.17 0.00 -0.89 -4.25 121.76 124.12 1nee s ALA 130 Ca -0.10 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 1nee s ALA 130 Cb -0.03 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 1nee s ALA 130 CO 0.05 -1.68 1.04 -1.00 0.00 0.00 0.00 175.76 174.17 1nee h PRO 131 N 8.58 -0.20 0.00 0.00 0.13 -1.88 -1.69 132.00 136.94 1nee h PRO 131 Ca -0.23 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nee h PRO 131 Cb 1.08 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1nee h PRO 131 CO 0.99 0.23 0.00 1.47 -0.23 0.00 0.00 178.00 180.46 1nee n LEU 132 N -4.95 0.00 -4.21 1.56 -0.00 -1.26 -3.95 117.00 104.20 1nee n LEU 132 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.79 1nee n LEU 132 Cb 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 1nee n LEU 132 CO 0.29 0.00 -0.18 -0.54 -0.00 0.00 0.00 177.39 176.96 1nee s LYS 133 N 0.00 1.38 -1.09 1.47 1.02 -1.26 -5.09 119.74 116.17 1nee s LYS 133 Ca 0.00 -1.71 -0.06 0.00 0.02 0.00 0.00 55.97 54.22 1nee s LYS 133 Cb 0.00 0.30 0.30 0.00 -0.52 0.00 0.00 37.83 37.91 1nee s LYS 133 CO 0.00 -0.48 1.35 0.09 -0.92 0.00 0.00 175.35 175.39 1nee n ASN 134 N -0.63 6.10 0.00 2.83 4.13 -1.26 -5.16 115.26 121.26 1nee n ASN 134 Ca 0.03 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 53.01 1nee n ASN 134 Cb 0.65 -1.31 0.02 0.00 -1.54 0.00 0.00 39.78 37.60 1nee n ASN 134 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09