#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8p n THR 3 N -0.12 0.00 -4.39 0.00 -2.24 -1.26 -4.98 114.28 101.29 1x8p n THR 3 Ca 0.02 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 1x8p n THR 3 Cb 0.53 1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 69.83 1x8p n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x8p s LYS 4 N -0.31 3.54 -0.83 -0.78 -0.14 -1.26 -5.04 119.74 114.91 1x8p s LYS 4 Ca 0.00 -0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 53.96 1x8p s LYS 4 Cb 0.00 -2.89 0.18 0.00 -1.68 0.00 0.00 37.83 33.44 1x8p s LYS 4 CO 0.00 0.33 0.86 1.21 -0.76 0.00 0.00 175.35 176.99 1x8p s ASN 5 N 0.12 6.67 0.35 2.83 3.84 -1.26 -5.05 114.94 122.45 1x8p s ASN 5 Ca -0.00 -2.41 -0.28 0.00 0.21 0.00 0.00 52.86 50.39 1x8p s ASN 5 Cb -0.13 -2.27 -0.09 0.00 -0.55 0.00 0.00 41.25 38.20 1x8p s ASN 5 CO 0.03 -0.75 1.23 0.00 -2.79 0.00 0.00 177.10 174.81 1x8p s ALA 6 N 1.07 3.35 -0.17 1.71 0.00 -1.26 -5.00 121.76 121.46 1x8p s ALA 6 Ca 0.21 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1x8p s ALA 6 Cb -0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1x8p s ALA 6 CO -0.08 -0.55 0.38 0.42 0.00 0.00 0.00 175.76 175.93 1x8p s ILE 7 N -1.24 5.23 0.59 0.00 -1.09 -1.26 -5.00 121.20 118.44 1x8p s ILE 7 Ca 0.51 0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 59.46 1x8p s ILE 7 Cb -0.36 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1x8p s ILE 7 CO 0.46 0.31 1.11 0.00 -1.23 0.00 0.00 174.94 175.59 1x8p s ALA 8 N 0.93 2.61 0.19 9.38 0.00 -1.26 -4.38 121.76 129.23 1x8p s ALA 8 Ca 0.19 0.66 -0.33 0.00 0.00 0.00 0.00 51.96 52.48 1x8p s ALA 8 Cb -0.14 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 1x8p s ALA 8 CO 0.07 -0.97 1.47 0.94 0.00 0.00 0.00 175.76 177.27 1x8p n GLN 9 N -1.83 2.02 -1.81 0.00 7.27 -0.04 -4.91 117.38 118.07 1x8p n GLN 9 Ca 0.11 0.72 -0.42 0.00 0.07 0.00 0.00 57.00 57.48 1x8p n GLN 9 Cb 0.52 -2.43 -0.03 0.00 2.41 0.00 0.00 30.24 30.71 1x8p n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x8p s THR 10 N 0.40 2.29 -0.83 1.69 2.01 -1.26 -2.37 115.64 117.57 1x8p s THR 10 Ca 0.74 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1x8p s THR 10 Cb -0.68 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1x8p s THR 10 CO 0.44 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1x8p n GLY 11 N 3.90 0.88 3.60 4.40 0.00 -1.26 -4.94 105.19 111.76 1x8p n GLY 11 Ca 0.15 -0.67 -0.50 0.00 0.00 0.00 0.00 46.02 45.00 1x8p n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1x8p n PHE 12 N -2.92 1.53 -3.35 1.61 7.35 -1.00 -4.91 117.46 115.78 1x8p n PHE 12 Ca -0.08 0.61 -0.46 0.00 -0.76 0.00 0.00 57.45 56.76 1x8p n PHE 12 Cb 0.30 -2.34 -0.03 0.00 0.35 0.00 0.00 39.48 37.76 1x8p n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1x8p s ASN 13 N 0.36 6.52 0.18 -2.13 3.84 -1.26 -4.94 114.94 117.51 1x8p s ASN 13 Ca 0.80 -2.46 -0.10 0.00 0.21 0.00 0.00 52.86 51.30 1x8p s ASN 13 Cb -0.89 -2.19 0.09 0.00 -0.55 0.00 0.00 41.25 37.72 1x8p s ASN 13 CO 0.48 -0.63 1.72 0.07 -2.79 0.00 0.00 177.10 175.94 1x8p h LYS 14 N 8.02 1.00 -0.24 0.43 2.10 -2.00 -2.50 116.57 123.37 1x8p h LYS 14 Ca -0.00 -0.21 -0.08 0.00 -2.00 0.00 0.00 60.65 58.36 1x8p h LYS 14 Cb 1.05 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1x8p h LYS 14 CO 0.82 0.87 -0.18 -0.44 -2.00 0.00 0.00 179.45 178.52 1x8p h ASP 15 N 0.93 0.42 -0.39 7.07 3.32 -1.92 0.50 116.42 126.34 1x8p h ASP 15 Ca 0.21 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1x8p h ASP 15 Cb 0.28 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1x8p h ASP 15 CO -0.01 0.61 -0.35 0.11 -1.72 0.00 0.00 179.24 177.88 1x8p h LYS 16 N 0.39 0.93 -0.08 3.56 1.57 -1.94 -3.19 116.57 117.80 1x8p h LYS 16 Ca 0.07 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1x8p h LYS 16 Cb 0.54 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x8p h LYS 16 CO 0.04 1.13 -0.08 -0.92 -0.57 0.00 0.00 179.45 179.05 1x8p h TYR 17 N 0.75 0.24 -1.09 -1.35 3.20 -1.11 -3.28 116.97 114.33 1x8p h TYR 17 Ca 0.07 -0.07 -0.66 0.00 3.14 0.00 0.00 58.73 61.21 1x8p h TYR 17 Cb 0.95 -0.05 -0.14 0.00 1.54 0.00 0.00 36.73 39.03 1x8p h TYR 17 CO 0.06 0.62 1.79 1.19 -1.64 0.00 0.00 178.16 180.19 1x8p n PHE 18 N -4.69 2.25 0.41 -3.82 3.72 0.14 -4.61 117.46 110.84 1x8p n PHE 18 Ca -0.07 -2.54 0.12 0.00 -0.05 0.00 0.00 57.45 54.91 1x8p n PHE 18 Cb 0.31 -1.71 0.20 0.00 -0.94 0.00 0.00 39.48 37.34 1x8p n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1x8p n ASN 19 N 1.51 3.41 0.00 4.37 6.94 -1.12 -3.79 115.26 126.58 1x8p n ASN 19 Ca 0.58 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.15 1x8p n ASN 19 Cb 0.35 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1x8p n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x8p n GLY 20 N 1.49 0.85 3.99 4.83 0.00 0.66 -4.95 105.19 112.07 1x8p n GLY 20 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1x8p n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x8p s ASP 21 N -2.96 4.82 0.01 1.61 2.15 -1.25 -4.69 116.67 116.37 1x8p s ASP 21 Ca 0.00 -0.29 -0.13 0.00 0.43 0.00 0.00 52.55 52.56 1x8p s ASP 21 Cb 0.00 -0.32 -0.06 0.00 -0.30 0.00 0.00 42.92 42.25 1x8p s ASP 21 CO 0.00 -1.50 0.39 -0.69 -0.17 0.00 0.00 175.17 173.20 1x8p s VAL 22 N -2.92 5.07 -0.08 1.11 1.01 -1.26 -2.87 120.40 120.47 1x8p s VAL 22 Ca 0.62 0.72 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1x8p s VAL 22 Cb -0.07 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1x8p s VAL 22 CO 0.41 0.52 -0.20 0.26 0.00 0.00 0.00 175.10 176.09 1x8p s TRP 23 N -1.15 2.58 -0.11 5.22 0.52 0.83 -4.61 118.94 122.23 1x8p s TRP 23 Ca 0.25 -0.65 -0.04 0.00 0.02 0.00 0.00 56.10 55.68 1x8p s TRP 23 Cb -0.16 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 1x8p s TRP 23 CO 0.14 -0.17 0.04 0.71 0.02 0.00 0.00 176.95 177.69 1x8p s TYR 24 N -0.09 3.27 -0.17 -1.98 2.02 -0.15 -0.89 117.35 119.37 1x8p s TYR 24 Ca -0.05 0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.59 1x8p s TYR 24 Cb -0.14 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1x8p s TYR 24 CO 0.04 0.46 1.18 0.08 -1.57 0.00 0.00 175.55 175.74 1x8p s VAL 25 N -0.67 4.41 -0.15 0.71 1.01 -0.52 -1.22 120.40 123.97 1x8p s VAL 25 Ca 0.11 1.71 0.19 0.00 0.00 0.00 0.00 61.98 63.99 1x8p s VAL 25 Cb -0.12 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.89 1x8p s VAL 25 CO 0.02 -0.13 0.23 0.35 0.00 0.00 0.00 175.10 175.57 1x8p n THR 26 N 5.25 1.03 -3.69 3.92 -2.24 -0.12 -4.67 114.28 113.76 1x8p n THR 26 Ca 0.13 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 1x8p n THR 26 Cb 0.45 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1x8p n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x8p s ASP 27 N -5.27 -0.39 0.06 3.42 1.11 -1.20 -1.22 116.67 113.17 1x8p s ASP 27 Ca -0.09 0.50 -0.07 0.00 0.18 0.00 0.00 52.55 53.06 1x8p s ASP 27 Cb 0.08 0.56 -0.01 0.00 1.07 0.00 0.00 42.92 44.63 1x8p s ASP 27 CO 0.85 -0.40 0.15 -0.72 1.18 0.00 0.00 175.17 176.22 1x8p s TYR 28 N -0.82 0.18 -0.21 4.23 1.13 -0.17 -0.68 117.35 121.01 1x8p s TYR 28 Ca -0.09 -0.55 -0.03 0.00 -1.41 0.00 0.00 57.07 54.99 1x8p s TYR 28 Cb -0.03 -0.11 0.07 0.00 -1.10 0.00 0.00 41.96 40.79 1x8p s TYR 28 CO 0.05 -0.46 0.06 -1.17 -2.51 0.00 0.00 175.55 171.52 1x8p s LEU 29 N -2.53 1.08 -0.21 -3.49 2.96 0.06 -0.34 118.68 116.21 1x8p s LEU 29 Ca 0.01 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 1x8p s LEU 29 Cb 0.03 -0.54 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 1x8p s LEU 29 CO -0.08 -0.34 0.25 -0.62 -1.32 0.00 0.00 176.35 174.24 1x8p s ASP 30 N 1.91 6.27 0.25 3.68 -1.08 -1.26 -0.68 116.67 125.75 1x8p s ASP 30 Ca 0.02 0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.60 1x8p s ASP 30 Cb -0.17 -2.15 0.88 0.00 -1.46 0.00 0.00 42.92 40.02 1x8p s ASP 30 CO -0.13 0.04 1.75 -0.07 0.52 0.00 0.00 175.17 177.29 1x8p h LEU 31 N 7.33 0.00 -6.90 -1.34 3.38 -1.39 -3.20 115.31 113.20 1x8p h LEU 31 Ca -0.38 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 1x8p h LEU 31 Cb 1.16 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.55 1x8p h LEU 31 CO 0.70 0.00 -0.11 -0.62 0.09 0.00 0.00 178.44 178.50 1x8p n GLU 32 N -2.32 2.88 -0.26 1.13 1.02 -1.26 -4.96 120.64 116.87 1x8p n GLU 32 Ca 0.04 -4.55 -0.07 0.00 -0.02 0.00 0.00 57.16 52.56 1x8p n GLU 32 Cb 0.35 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 1x8p n GLU 32 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1x8p n PRO 33 N 1.66 -0.27 -1.77 3.49 -0.02 -1.21 -0.93 135.00 135.95 1x8p n PRO 33 Ca 0.25 0.94 -0.36 0.00 -2.02 0.00 0.00 63.50 62.31 1x8p n PRO 33 Cb 0.37 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1x8p n PRO 33 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1x8p n ASP 34 N -4.78 7.18 0.10 2.55 10.43 -1.26 -3.33 116.55 127.44 1x8p n ASP 34 Ca 0.01 -3.63 -0.16 0.00 2.57 0.00 0.00 54.79 53.58 1x8p n ASP 34 Cb 0.16 -1.12 -0.11 0.00 1.84 0.00 0.00 41.12 41.89 1x8p n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1x8p h ASP 35 N 2.99 0.54 -4.98 -2.24 3.32 -1.44 -3.48 116.42 111.13 1x8p h ASP 35 Ca 0.51 -0.52 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1x8p h ASP 35 Cb 0.26 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 39.47 1x8p h ASP 35 CO 1.25 1.37 -0.70 0.68 -1.72 0.00 0.00 179.24 180.13 1x8p s VAL 36 N -2.89 0.33 0.80 -1.35 -7.23 -1.21 -5.09 120.40 103.76 1x8p s VAL 36 Ca -0.06 -1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1x8p s VAL 36 Cb 0.07 -1.14 0.08 0.00 0.56 0.00 0.00 36.38 35.95 1x8p s VAL 36 CO 0.89 -0.78 1.16 -2.84 -0.31 0.00 0.00 175.10 173.23 1x8p s PRO 37 N -3.02 1.78 0.11 4.82 0.02 -1.26 -4.93 135.00 132.51 1x8p s PRO 37 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 1x8p s PRO 37 Cb 0.01 -1.81 -0.19 0.00 0.02 0.00 0.00 34.50 32.53 1x8p s PRO 37 CO -0.05 -2.07 1.23 0.87 -0.33 0.00 0.00 177.00 176.65 1x8p h LYS 38 N -0.98 0.23 -4.86 5.54 1.79 -2.01 -3.41 116.57 112.88 1x8p h LYS 38 Ca -0.45 -0.33 -0.66 0.00 -2.18 0.00 0.00 60.65 57.02 1x8p h LYS 38 Cb 1.27 0.12 -0.24 0.00 -1.58 0.00 0.00 32.23 31.80 1x8p h LYS 38 CO 0.47 1.11 -0.61 1.03 -1.08 0.00 0.00 179.45 180.38 1x8p s ARG 39 N -2.85 3.39 -0.30 3.15 0.52 -1.26 -4.94 118.95 116.66 1x8p s ARG 39 Ca -0.03 -0.66 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 1x8p s ARG 39 Cb 0.08 -3.40 0.21 0.00 0.52 0.00 0.00 34.95 32.36 1x8p s ARG 39 CO 0.86 -0.33 1.29 -0.47 0.02 0.00 0.00 175.30 176.67 1x8p s TYR 40 N 1.58 -0.04 0.29 -0.53 6.14 -1.26 -4.50 117.35 119.03 1x8p s TYR 40 Ca 0.05 0.08 0.08 0.00 0.64 0.00 0.00 57.07 57.92 1x8p s TYR 40 Cb -0.16 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.20 1x8p s TYR 40 CO 0.04 -0.02 0.12 0.00 0.64 0.00 0.00 175.55 176.32 1x8p s ALA 42 N -2.31 -1.86 0.19 0.00 0.00 -1.26 -1.49 121.76 115.03 1x8p s ALA 42 Ca 0.35 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 1x8p s ALA 42 Cb -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1x8p s ALA 42 CO 0.23 -0.33 0.43 0.00 0.00 0.00 0.00 175.76 176.09 1x8p s ALA 43 N -1.13 -0.54 0.09 0.00 0.00 -0.62 -1.44 121.76 118.13 1x8p s ALA 43 Ca -0.06 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1x8p s ALA 43 Cb -0.00 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1x8p s ALA 43 CO 0.05 -0.75 0.25 -0.48 0.00 0.00 0.00 175.76 174.83 1x8p s LEU 44 N -2.92 1.12 0.09 0.00 0.05 -0.07 -0.92 118.68 116.04 1x8p s LEU 44 Ca 0.13 -0.51 0.10 0.00 0.05 0.00 0.00 54.13 53.90 1x8p s LEU 44 Cb 0.01 1.25 -0.03 0.00 -2.05 0.00 0.00 46.19 45.37 1x8p s LEU 44 CO -0.01 -0.74 -0.27 0.00 -0.55 0.00 0.00 176.35 174.79 1x8p s ALA 45 N -3.66 2.33 -0.03 1.48 0.00 0.13 -0.12 121.76 121.89 1x8p s ALA 45 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1x8p s ALA 45 Cb 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1x8p s ALA 45 CO -0.10 0.54 0.01 0.00 0.00 0.00 0.00 175.76 176.21 1x8p s ALA 46 N -0.94 0.22 0.04 0.00 0.00 -1.14 -0.94 121.76 118.99 1x8p s ALA 46 Ca 0.13 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1x8p s ALA 46 Cb -0.10 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.83 1x8p s ALA 46 CO 0.04 -0.09 1.20 0.20 0.00 0.00 0.00 175.76 177.11 1x8p s GLY 47 N 1.06 -0.30 -0.16 0.00 0.00 -0.63 -0.24 107.32 107.05 1x8p s GLY 47 Ca -0.09 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 1x8p s GLY 47 CO -0.02 0.91 0.23 -1.59 0.00 0.00 0.00 173.10 172.62 1x8p s THR 48 N -2.54 5.35 -0.16 0.90 2.01 -1.25 -0.59 115.64 119.36 1x8p s THR 48 Ca 0.16 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 1x8p s THR 48 Cb 0.02 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 69.02 1x8p s THR 48 CO -0.01 0.45 -0.07 0.00 -0.69 0.00 0.00 174.62 174.29 1x8p s ALA 49 N 0.15 1.52 -1.46 7.40 0.00 -0.07 -4.76 121.76 124.54 1x8p s ALA 49 Ca 0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1x8p s ALA 49 Cb -0.12 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1x8p s ALA 49 CO 0.02 -0.69 0.61 0.43 0.00 0.00 0.00 175.76 176.14 1x8p n SER 50 N 4.87 -1.59 0.00 0.00 7.64 -1.26 -1.22 113.62 122.05 1x8p n SER 50 Ca -0.13 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1x8p n SER 50 Cb 0.48 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 1x8p n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x8p n GLY 51 N -1.77 1.76 3.58 0.23 0.00 -1.26 -5.02 105.19 102.71 1x8p n GLY 51 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1x8p n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8p s LYS 52 N -0.11 3.58 -0.07 1.61 -0.14 -0.36 -5.08 119.74 119.17 1x8p s LYS 52 Ca 0.00 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 1x8p s LYS 52 Cb 0.00 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.16 1x8p s LYS 52 CO 0.00 0.37 1.11 -1.17 -0.76 0.00 0.00 175.35 174.90 1x8p s LEU 53 N 0.05 4.27 0.07 3.17 2.96 -1.26 -0.90 118.68 127.04 1x8p s LEU 53 Ca 0.02 1.69 0.03 0.00 -0.22 0.00 0.00 54.13 55.65 1x8p s LEU 53 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1x8p s LEU 53 CO 0.02 -0.51 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.91 1x8p s LYS 54 N 2.03 0.69 -0.03 1.98 -0.14 0.25 -1.75 119.74 122.77 1x8p s LYS 54 Ca 0.53 -0.97 -0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1x8p s LYS 54 Cb -0.22 -0.41 0.03 0.00 -1.68 0.00 0.00 37.83 35.55 1x8p s LYS 54 CO 0.21 0.07 0.04 -2.00 -0.76 0.00 0.00 175.35 172.90 1x8p s GLU 55 N -2.25 -0.05 -0.12 1.68 2.12 -0.18 -1.60 118.70 118.30 1x8p s GLU 55 Ca -0.02 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.54 1x8p s GLU 55 Cb -0.06 -0.33 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1x8p s GLU 55 CO -0.00 -0.22 -0.02 0.00 -0.54 0.00 0.00 175.26 174.48 1x8p s ALA 56 N 1.42 3.14 0.16 6.30 0.00 -0.12 -0.04 121.76 132.62 1x8p s ALA 56 Ca -0.05 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1x8p s ALA 56 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1x8p s ALA 56 CO -0.03 0.41 -0.25 -0.51 0.00 0.00 0.00 175.76 175.38 1x8p s LEU 57 N -0.31 2.40 -0.03 0.00 1.43 0.13 -0.70 118.68 121.60 1x8p s LEU 57 Ca 0.06 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1x8p s LEU 57 Cb -0.12 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1x8p s LEU 57 CO 0.02 0.15 -0.04 -0.47 0.23 0.00 0.00 176.35 176.24 1x8p s TYR 58 N -1.37 0.63 -0.01 0.29 5.04 -0.10 -1.60 117.35 120.23 1x8p s TYR 58 Ca 0.18 -0.15 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 1x8p s TYR 58 Cb -0.09 -0.55 -0.01 0.00 0.35 0.00 0.00 41.96 41.66 1x8p s TYR 58 CO 0.08 -0.13 -0.18 -1.01 -1.34 0.00 0.00 175.55 172.97 1x8p s HIS 59 N 0.64 1.57 -0.12 4.97 3.76 -0.35 -1.58 115.29 124.19 1x8p s HIS 59 Ca -0.08 -0.30 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 1x8p s HIS 59 Cb -0.11 -1.01 0.05 0.00 1.11 0.00 0.00 32.58 32.62 1x8p s HIS 59 CO -0.00 -0.02 0.27 -0.47 -0.85 0.00 0.00 174.74 173.66 1x8p s TYR 60 N -0.43 -0.38 -0.38 1.40 5.04 -0.56 -1.79 117.35 120.25 1x8p s TYR 60 Ca 0.07 0.88 -0.17 0.00 -2.44 0.00 0.00 57.07 55.41 1x8p s TYR 60 Cb -0.07 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1x8p s TYR 60 CO -0.01 -0.27 0.44 0.34 -1.34 0.00 0.00 175.55 174.71 1x8p s ASP 61 N 1.52 6.22 0.35 4.32 -1.08 -0.05 -0.72 116.67 127.24 1x8p s ASP 61 Ca -0.07 -0.39 0.27 0.00 -0.52 0.00 0.00 52.55 51.83 1x8p s ASP 61 Cb -0.11 -2.23 1.10 0.00 -1.46 0.00 0.00 42.92 40.22 1x8p s ASP 61 CO -0.09 -0.50 1.80 1.55 0.52 0.00 0.00 175.17 178.45 1x8p h PRO 62 N 8.60 0.00 0.04 4.34 0.13 -1.88 0.23 132.00 143.46 1x8p h PRO 62 Ca -0.28 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.56 1x8p h PRO 62 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1x8p h PRO 62 CO 0.76 0.00 -1.60 1.63 -0.23 0.00 0.00 178.00 178.57 1x8p n LYS 63 N -2.51 0.63 0.10 0.86 5.02 -1.26 -4.45 118.16 116.55 1x8p n LYS 63 Ca 0.02 0.45 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 1x8p n LYS 63 Cb 0.26 -1.71 0.12 0.00 -0.02 0.00 0.00 35.03 33.67 1x8p n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1x8p h THR 64 N -0.66 0.00 -0.10 -0.18 1.35 -1.95 -3.47 112.91 107.90 1x8p h THR 64 Ca -0.40 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.65 1x8p h THR 64 Cb 1.56 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 1x8p h THR 64 CO -0.13 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.10 1x8p n GLN 65 N -2.49 -0.70 -1.95 4.72 6.02 0.79 -5.00 117.38 118.77 1x8p n GLN 65 Ca 0.02 0.35 -0.41 0.00 -0.01 0.00 0.00 57.00 56.95 1x8p n GLN 65 Cb 0.50 -3.99 -0.02 0.00 1.02 0.00 0.00 30.24 27.75 1x8p n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1x8p s ASP 66 N -2.25 6.56 -0.02 1.08 2.15 -1.23 -4.78 116.67 118.18 1x8p s ASP 66 Ca 0.00 2.82 -0.24 0.00 0.43 0.00 0.00 52.55 55.56 1x8p s ASP 66 Cb 0.00 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1x8p s ASP 66 CO 0.00 -0.73 0.52 0.28 -0.17 0.00 0.00 175.17 175.06 1x8p s THR 67 N -0.61 0.03 -0.10 1.71 -1.32 -1.26 -0.87 115.64 113.22 1x8p s THR 67 Ca 0.55 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 60.51 1x8p s THR 67 Cb -0.43 -0.86 0.08 0.00 -1.51 0.00 0.00 72.50 69.78 1x8p s THR 67 CO 0.52 -0.12 0.76 0.72 -2.21 0.00 0.00 174.62 174.29 1x8p s PHE 68 N -1.48 -0.61 0.16 9.09 -0.71 -0.74 -5.01 117.98 118.67 1x8p s PHE 68 Ca -0.11 1.10 0.08 0.00 -1.04 0.00 0.00 56.93 56.96 1x8p s PHE 68 Cb -0.02 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1x8p s PHE 68 CO 0.06 -0.52 -0.07 0.71 -1.34 0.00 0.00 175.22 174.05 1x8p s TYR 69 N -0.99 2.72 0.04 3.49 1.51 -1.24 -1.21 117.35 121.67 1x8p s TYR 69 Ca -0.08 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1x8p s TYR 69 Cb -0.01 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1x8p s TYR 69 CO 0.07 0.49 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.46 1x8p s ASP 70 N -2.69 0.39 -0.05 2.29 1.11 -0.63 -1.53 116.67 115.56 1x8p s ASP 70 Ca 0.25 -0.75 0.01 0.00 0.18 0.00 0.00 52.55 52.23 1x8p s ASP 70 Cb -0.10 0.15 0.02 0.00 1.07 0.00 0.00 42.92 44.06 1x8p s ASP 70 CO 0.16 -0.45 -0.05 -0.69 1.18 0.00 0.00 175.17 175.31 1x8p s VAL 71 N -2.70 0.62 -0.02 -1.27 1.01 -0.42 -0.70 120.40 116.92 1x8p s VAL 71 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1x8p s VAL 71 Cb -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1x8p s VAL 71 CO -0.05 0.25 -0.15 -0.44 0.00 0.00 0.00 175.10 174.70 1x8p s SER 72 N 0.92 3.98 -0.23 3.32 0.01 0.94 -1.90 113.70 120.75 1x8p s SER 72 Ca -0.11 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1x8p s SER 72 Cb -0.14 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1x8p s SER 72 CO 0.00 0.31 0.12 -1.61 0.41 0.00 0.00 173.24 172.48 1x8p s GLU 73 N -0.99 3.97 -0.13 12.44 2.02 -1.25 -1.01 118.70 133.76 1x8p s GLU 73 Ca 0.13 -0.33 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 1x8p s GLU 73 Cb -0.11 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1x8p s GLU 73 CO 0.02 0.07 0.27 -0.51 0.02 0.00 0.00 175.26 175.13 1x8p s LEU 74 N 0.99 4.31 0.01 1.80 1.43 -0.72 -2.10 118.68 124.40 1x8p s LEU 74 Ca 0.06 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1x8p s LEU 74 Cb -0.14 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1x8p s LEU 74 CO 0.04 0.21 -0.09 -1.10 0.23 0.00 0.00 176.35 175.63 1x8p s GLN 75 N -0.11 2.45 -0.15 1.70 -1.52 0.16 -4.66 119.66 117.54 1x8p s GLN 75 Ca 0.17 -0.78 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1x8p s GLN 75 Cb -0.13 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.19 1x8p s GLN 75 CO 0.05 0.59 0.49 0.08 -0.25 0.00 0.00 175.29 176.25 1x8p s VAL 76 N -0.98 5.16 -0.18 1.09 1.01 -1.26 -1.32 120.40 123.91 1x8p s VAL 76 Ca 0.17 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1x8p s VAL 76 Cb -0.11 -3.83 -0.22 0.00 0.00 0.00 0.00 36.38 32.23 1x8p s VAL 76 CO 0.07 0.27 0.09 -0.62 0.00 0.00 0.00 175.10 174.91 1x8p n GLU 77 N 4.07 0.70 -3.07 2.72 -0.58 -0.10 -4.95 120.64 119.43 1x8p n GLU 77 Ca -0.06 0.19 -0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1x8p n GLU 77 Cb 0.51 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.78 1x8p n GLU 77 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1x8p n SER 78 N -3.29 -1.09 -4.45 1.62 3.41 -1.12 -5.02 113.62 103.68 1x8p n SER 78 Ca -0.37 -1.54 -0.53 0.00 -0.26 0.00 0.00 58.87 56.17 1x8p n SER 78 Cb 1.03 1.77 -0.08 0.00 -0.26 0.00 0.00 64.21 66.67 1x8p n SER 78 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1x8p n LEU 79 N 0.00 1.95 0.00 1.04 7.94 -1.26 -1.24 117.00 125.42 1x8p n LEU 79 Ca -0.01 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1x8p n LEU 79 Cb 0.38 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1x8p n LEU 79 CO 0.13 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 1x8p n GLY 80 N 6.38 0.80 2.92 -3.96 0.00 -1.26 -4.70 105.19 105.38 1x8p n GLY 80 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 1x8p n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x8p s LYS 81 N -0.06 1.31 0.12 1.61 2.20 -0.38 -0.87 119.74 123.66 1x8p s LYS 81 Ca 0.00 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 1x8p s LYS 81 Cb 0.00 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 1x8p s LYS 81 CO 0.00 -0.14 -0.04 0.71 -0.36 0.00 0.00 175.35 175.52 1x8p s TYR 82 N 1.25 0.95 -0.10 4.03 2.02 -0.35 -0.92 117.35 124.23 1x8p s TYR 82 Ca -0.04 -0.97 0.03 0.00 -0.37 0.00 0.00 57.07 55.71 1x8p s TYR 82 Cb -0.14 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 1x8p s TYR 82 CO -0.02 -0.20 -0.19 0.99 -1.57 0.00 0.00 175.55 174.55 1x8p s THR 83 N -3.68 1.74 -0.09 -0.71 2.01 -0.44 -1.81 115.64 112.66 1x8p s THR 83 Ca 0.16 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1x8p s THR 83 Cb 0.06 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 71.04 1x8p s THR 83 CO -0.02 0.49 -0.21 0.00 -0.69 0.00 0.00 174.62 174.19 1x8p s ALA 84 N 0.60 1.92 0.79 7.40 0.00 0.60 -0.66 121.76 132.41 1x8p s ALA 84 Ca -0.14 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1x8p s ALA 84 Cb -0.17 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.26 1x8p s ALA 84 CO 0.04 0.21 1.14 0.54 0.00 0.00 0.00 175.76 177.70 1x8p s ASN 85 N 0.48 4.70 -0.03 0.00 6.03 -0.89 -1.47 114.94 123.76 1x8p s ASN 85 Ca -0.17 0.95 -0.07 0.00 -1.03 0.00 0.00 52.86 52.54 1x8p s ASN 85 Cb -0.17 -1.56 0.01 0.00 -3.03 0.00 0.00 41.25 36.50 1x8p s ASN 85 CO 0.07 -1.80 0.16 0.72 -2.03 0.00 0.00 177.10 174.22 1x8p s PHE 86 N -3.45 -0.07 -0.05 1.54 -0.12 -1.23 -3.77 117.98 110.82 1x8p s PHE 86 Ca 0.61 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.67 1x8p s PHE 86 Cb -0.12 0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.28 1x8p s PHE 86 CO 0.51 -0.21 -0.18 -1.59 -0.05 0.00 0.00 175.22 173.69 1x8p s LYS 87 N -0.76 2.00 0.04 1.99 -2.85 -0.80 -4.21 119.74 115.15 1x8p s LYS 87 Ca -0.08 -0.65 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 1x8p s LYS 87 Cb -0.05 -1.68 -0.04 0.00 -2.06 0.00 0.00 37.83 34.00 1x8p s LYS 87 CO 0.01 0.22 0.98 0.21 0.10 0.00 0.00 175.35 176.87 1x8p s LYS 88 N 0.13 4.60 0.11 1.78 2.20 -0.63 -1.31 119.74 126.63 1x8p s LYS 88 Ca -0.07 1.44 0.02 0.00 -0.36 0.00 0.00 55.97 57.00 1x8p s LYS 88 Cb -0.13 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1x8p s LYS 88 CO 0.03 0.03 -0.08 0.14 -0.36 0.00 0.00 175.35 175.12 1x8p s VAL 89 N 0.68 0.82 1.03 4.02 -7.23 -0.58 -0.52 120.40 118.63 1x8p s VAL 89 Ca 0.51 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.55 1x8p s VAL 89 Cb -0.22 -1.72 0.22 0.00 0.56 0.00 0.00 36.38 35.22 1x8p s VAL 89 CO 0.29 -0.83 1.25 1.51 -0.31 0.00 0.00 175.10 177.00 1x8p s ASP 90 N -3.06 2.52 0.64 4.85 1.47 -0.32 -3.64 116.67 119.12 1x8p s ASP 90 Ca 0.13 0.41 0.42 0.00 1.18 0.00 0.00 52.55 54.69 1x8p s ASP 90 Cb 0.04 -0.54 2.21 0.00 -0.34 0.00 0.00 42.92 44.29 1x8p s ASP 90 CO -0.03 -3.12 2.29 0.07 0.68 0.00 0.00 175.17 175.06 1x8p h LYS 91 N -1.90 0.00 -0.11 2.11 2.10 -1.95 -1.25 116.57 115.56 1x8p h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1x8p h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1x8p h LYS 91 CO 0.38 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 1x8p n ASN 92 N -3.06 2.16 0.00 7.07 5.03 -1.26 -4.79 115.26 120.41 1x8p n ASN 92 Ca -0.02 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1x8p n ASN 92 Cb 0.12 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1x8p n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x8p n GLY 93 N 1.25 0.75 3.73 7.41 0.00 -0.47 -5.00 105.19 112.86 1x8p n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1x8p n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x8p s ASN 94 N -2.64 7.04 0.02 1.61 0.01 -1.26 -4.77 114.94 114.95 1x8p s ASN 94 Ca 0.00 2.25 -0.30 0.00 -0.71 0.00 0.00 52.86 54.10 1x8p s ASN 94 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1x8p s ASN 94 CO 0.00 -0.43 1.15 -0.69 -1.51 0.00 0.00 177.10 175.62 1x8p s VAL 95 N 0.14 4.28 -0.24 1.60 1.01 -1.26 -1.18 120.40 124.75 1x8p s VAL 95 Ca 0.55 1.63 0.02 0.00 0.00 0.00 0.00 61.98 64.17 1x8p s VAL 95 Cb -0.33 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 1x8p s VAL 95 CO 0.36 0.10 -0.22 0.29 0.00 0.00 0.00 175.10 175.63 1x8p n LYS 96 N 4.23 0.61 -3.67 2.72 5.02 0.32 -4.93 118.16 122.47 1x8p n LYS 96 Ca 0.09 0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 56.29 1x8p n LYS 96 Cb 0.47 -1.49 -0.18 0.00 -0.02 0.00 0.00 35.03 33.82 1x8p n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x8p s VAL 97 N -2.49 -0.00 0.81 -0.18 1.01 -0.85 -4.99 120.40 113.71 1x8p s VAL 97 Ca -0.33 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1x8p s VAL 97 Cb 0.08 -0.40 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1x8p s VAL 97 CO 0.56 0.01 1.10 0.00 0.00 0.00 0.00 175.10 176.77 1x8p s ALA 98 N 2.12 2.03 0.31 5.51 0.00 -1.26 -1.60 121.76 128.87 1x8p s ALA 98 Ca 0.04 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 1x8p s ALA 98 Cb -0.14 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1x8p s ALA 98 CO -0.06 -2.02 1.17 0.28 0.00 0.00 0.00 175.76 175.14 1x8p n VAL 99 N -3.70 1.94 -3.74 0.00 0.31 -1.26 -4.80 118.33 107.08 1x8p n VAL 99 Ca 0.09 -0.49 -0.14 0.00 -0.01 0.00 0.00 64.34 63.80 1x8p n VAL 99 Cb 0.53 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 32.06 1x8p n VAL 99 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1x8p s THR 100 N -1.03 0.04 0.24 2.52 -4.23 -1.26 -5.08 115.64 106.84 1x8p s THR 100 Ca 0.57 -0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 60.43 1x8p s THR 100 Cb -0.63 -0.62 -0.14 0.00 1.34 0.00 0.00 72.50 72.45 1x8p s THR 100 CO 0.61 -0.19 1.25 0.00 -0.54 0.00 0.00 174.62 175.75 1x8p n ALA 101 N 1.59 0.31 -0.63 3.99 0.00 -1.26 -1.59 120.51 122.92 1x8p n ALA 101 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1x8p n ALA 101 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1x8p n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x8p n GLY 102 N 1.80 1.27 3.23 0.00 0.00 -1.26 -4.90 105.19 105.34 1x8p n GLY 102 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1x8p n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x8p s ASN 103 N -3.15 5.93 0.13 1.61 -0.87 -0.62 -3.29 114.94 114.67 1x8p s ASN 103 Ca 0.00 -2.22 -0.17 0.00 -1.57 0.00 0.00 52.86 48.90 1x8p s ASN 103 Cb 0.00 -2.06 0.04 0.00 -0.02 0.00 0.00 41.25 39.21 1x8p s ASN 103 CO 0.00 -0.64 0.42 -0.72 -2.57 0.00 0.00 177.10 173.59 1x8p s TYR 104 N 0.90 -0.24 0.13 2.20 1.13 -0.54 -3.57 117.35 117.35 1x8p s TYR 104 Ca 0.10 -0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.79 1x8p s TYR 104 Cb -0.22 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1x8p s TYR 104 CO -0.02 -0.72 -0.20 1.52 -2.51 0.00 0.00 175.55 173.62 1x8p s TYR 105 N -3.77 1.82 0.15 -3.49 1.13 -0.54 -0.51 117.35 112.13 1x8p s TYR 105 Ca 0.03 -0.44 0.03 0.00 -1.41 0.00 0.00 57.07 55.28 1x8p s TYR 105 Cb 0.01 -0.96 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 1x8p s TYR 105 CO -0.12 0.27 0.24 0.95 -2.51 0.00 0.00 175.55 174.37 1x8p s THR 106 N -1.55 5.08 0.06 -3.49 -4.23 -0.41 -0.29 115.64 110.81 1x8p s THR 106 Ca 0.11 -0.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 1x8p s THR 106 Cb -0.08 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.17 1x8p s THR 106 CO 0.05 -0.09 0.28 0.72 -0.54 0.00 0.00 174.62 175.05 1x8p s PHE 107 N -1.73 -0.05 -0.03 3.99 -0.71 -0.75 -1.68 117.98 117.02 1x8p s PHE 107 Ca 0.33 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 1x8p s PHE 107 Cb -0.11 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1x8p s PHE 107 CO 0.27 -0.53 0.00 0.99 -1.34 0.00 0.00 175.22 174.62 1x8p s THR 108 N -2.93 0.18 -0.55 -4.49 2.01 0.35 -1.21 115.64 108.99 1x8p s THR 108 Ca -0.02 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1x8p s THR 108 Cb 0.00 -0.28 0.06 0.00 0.01 0.00 0.00 72.50 72.30 1x8p s THR 108 CO -0.06 0.15 0.80 -0.69 -0.69 0.00 0.00 174.62 174.13 1x8p s VAL 109 N 1.07 4.61 -0.21 3.82 1.01 -0.05 -1.20 120.40 129.45 1x8p s VAL 109 Ca -0.09 -0.25 0.17 0.00 0.00 0.00 0.00 61.98 61.81 1x8p s VAL 109 Cb -0.13 -4.46 0.11 0.00 0.00 0.00 0.00 36.38 31.90 1x8p s VAL 109 CO -0.02 -1.04 1.46 0.24 0.00 0.00 0.00 175.10 175.74 1x8p h MET 110 N 9.21 0.00 -1.83 2.72 2.86 -1.12 -0.08 114.93 126.69 1x8p h MET 110 Ca -0.27 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1x8p h MET 110 Cb 1.08 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.54 1x8p h MET 110 CO 1.05 0.39 0.42 -0.47 1.06 0.00 0.00 176.91 179.36 1x8p s TYR 111 N -3.01 -0.47 -0.22 -0.22 5.04 -1.03 -3.15 117.35 114.29 1x8p s TYR 111 Ca 0.04 0.74 -0.27 0.00 -2.44 0.00 0.00 57.07 55.14 1x8p s TYR 111 Cb 0.07 0.45 0.09 0.00 0.35 0.00 0.00 41.96 42.92 1x8p s TYR 111 CO 0.73 -0.47 0.81 0.00 -1.34 0.00 0.00 175.55 175.29 1x8p s ALA 112 N -1.44 -1.84 0.00 3.97 0.00 -1.26 -1.48 121.76 119.71 1x8p s ALA 112 Ca -0.04 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1x8p s ALA 112 Cb -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1x8p s ALA 112 CO 0.03 -0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1x8p n ASP 113 N 2.08 0.79 0.00 0.00 5.75 -0.01 -4.96 116.55 120.20 1x8p n ASP 113 Ca -0.14 -0.62 0.14 0.00 -0.01 0.00 0.00 54.79 54.15 1x8p n ASP 113 Cb 0.56 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 41.42 1x8p n ASP 113 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x8p n ASP 114 N -1.37 0.00 0.00 -1.12 8.00 -1.26 -3.66 116.55 117.14 1x8p n ASP 114 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1x8p n ASP 114 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1x8p n ASP 114 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1x8p n SER 115 N -1.10 0.52 -3.93 -2.24 3.41 -1.26 -4.89 113.62 104.13 1x8p n SER 115 Ca 0.18 -0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 1x8p n SER 115 Cb 0.14 0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 1x8p n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x8p s SER 116 N -0.45 0.22 0.14 4.04 1.04 -1.24 -0.96 113.70 116.50 1x8p s SER 116 Ca 0.00 -0.72 -0.22 0.00 0.48 0.00 0.00 55.95 55.49 1x8p s SER 116 Cb 0.00 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.47 1x8p s SER 116 CO 0.00 -0.66 0.55 0.00 0.98 0.00 0.00 173.24 174.11 1x8p s ALA 117 N -3.67 -1.44 -0.11 5.32 0.00 -0.75 -0.83 121.76 120.28 1x8p s ALA 117 Ca 0.04 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1x8p s ALA 117 Cb 0.05 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1x8p s ALA 117 CO -0.10 -0.71 -0.14 -1.17 0.00 0.00 0.00 175.76 173.64 1x8p s LEU 118 N -2.67 1.66 0.19 0.00 2.96 -0.55 -0.45 118.68 119.82 1x8p s LEU 118 Ca 0.01 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1x8p s LEU 118 Cb -0.00 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1x8p s LEU 118 CO -0.11 -0.01 -0.18 0.27 -1.32 0.00 0.00 176.35 175.00 1x8p s ILE 119 N 1.11 1.93 -0.02 6.68 -4.36 -0.31 -0.71 121.20 125.52 1x8p s ILE 119 Ca -0.04 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.34 1x8p s ILE 119 Cb -0.14 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 1x8p s ILE 119 CO -0.03 -0.38 -0.18 -2.28 0.24 0.00 0.00 174.94 172.31 1x8p s HIS 120 N -2.30 2.58 0.01 1.37 5.65 -0.34 -0.97 115.29 121.29 1x8p s HIS 120 Ca 0.20 -0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.28 1x8p s HIS 120 Cb -0.05 -1.57 -0.01 0.00 -1.18 0.00 0.00 32.58 29.78 1x8p s HIS 120 CO 0.08 0.15 -0.05 0.95 -0.65 0.00 0.00 174.74 175.21 1x8p s THR 121 N -0.74 0.39 -0.21 0.89 -4.23 0.34 -0.50 115.64 111.59 1x8p s THR 121 Ca 0.12 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1x8p s THR 121 Cb -0.10 -0.39 0.05 0.00 1.34 0.00 0.00 72.50 73.39 1x8p s THR 121 CO 0.01 -0.08 -0.10 0.00 -0.54 0.00 0.00 174.62 173.91 1x8p s LEU 123 N 1.35 4.42 -0.16 0.00 2.96 -1.26 -1.29 118.68 124.71 1x8p s LEU 123 Ca -0.02 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1x8p s LEU 123 Cb -0.17 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.72 1x8p s LEU 123 CO -0.08 0.15 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.91 1x8p s HIS 124 N -0.37 2.59 -0.27 5.38 3.76 0.33 -4.63 115.29 122.09 1x8p s HIS 124 Ca 0.29 -1.43 -0.02 0.00 -0.15 0.00 0.00 55.06 53.75 1x8p s HIS 124 Cb -0.18 -1.80 0.12 0.00 1.11 0.00 0.00 32.58 31.84 1x8p s HIS 124 CO 0.16 -0.70 0.27 0.21 -0.85 0.00 0.00 174.74 173.83 1x8p s LYS 125 N 1.13 0.28 4.55 1.40 2.20 -1.23 -1.47 119.74 126.60 1x8p s LYS 125 Ca -0.00 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1x8p s LYS 125 Cb -0.14 -0.83 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 1x8p s LYS 125 CO -0.08 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 1x8p n GLY 126 N 5.31 2.97 1.95 5.54 0.00 -1.21 -1.64 105.19 118.10 1x8p n GLY 126 Ca -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1x8p n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x8p n ASN 127 N 2.48 5.37 -4.81 1.61 0.23 -1.26 -4.95 115.26 113.93 1x8p n ASN 127 Ca 0.00 -3.07 -0.31 0.00 -0.53 0.00 0.00 54.58 50.67 1x8p n ASN 127 Cb 0.00 -0.71 0.05 0.00 -2.08 0.00 0.00 39.78 37.03 1x8p n ASN 127 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1x8p s LYS 128 N -2.88 2.93 -0.34 -3.83 1.02 -0.65 -5.03 119.74 110.95 1x8p s LYS 128 Ca 0.55 1.04 -0.00 0.00 0.02 0.00 0.00 55.97 57.58 1x8p s LYS 128 Cb 0.43 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.84 1x8p s LYS 128 CO 0.15 -1.11 0.07 0.34 -0.92 0.00 0.00 175.35 173.87 1x8p s ASP 129 N -3.53 4.93 0.12 2.83 2.15 -1.26 -4.71 116.67 117.20 1x8p s ASP 129 Ca 0.60 -1.77 0.10 0.00 0.43 0.00 0.00 52.55 51.91 1x8p s ASP 129 Cb -0.15 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 1x8p s ASP 129 CO 0.51 -0.38 -0.25 -0.76 -0.17 0.00 0.00 175.17 174.13 1x8p s LEU 130 N 1.11 2.41 0.00 -1.34 1.43 -1.26 -4.64 118.68 116.38 1x8p s LEU 130 Ca 0.03 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1x8p s LEU 130 Cb -0.21 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1x8p s LEU 130 CO -0.04 0.19 0.15 0.61 0.23 0.00 0.00 176.35 177.48 1x8p n GLY 131 N 0.96 3.28 3.77 -3.19 0.00 -1.26 -2.15 105.19 106.60 1x8p n GLY 131 Ca -0.17 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.14 1x8p n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x8p s ASP 132 N -3.31 6.49 -0.08 1.61 1.11 -1.26 -4.54 116.67 116.69 1x8p s ASP 132 Ca 0.11 2.79 -0.00 0.00 0.18 0.00 0.00 52.55 55.63 1x8p s ASP 132 Cb -0.01 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.35 1x8p s ASP 132 CO 0.07 -0.74 -0.03 -0.22 1.18 0.00 0.00 175.17 175.43 1x8p s LEU 133 N -2.10 0.93 -0.01 1.23 0.20 -0.42 -1.00 118.68 117.50 1x8p s LEU 133 Ca 0.53 -0.15 -0.02 0.00 0.69 0.00 0.00 54.13 55.17 1x8p s LEU 133 Cb -0.41 -0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 1x8p s LEU 133 CO 0.55 -0.14 0.15 -0.31 -0.29 0.00 0.00 176.35 176.31 1x8p s TYR 134 N 1.64 3.48 -0.01 5.38 2.02 0.14 -0.50 117.35 129.49 1x8p s TYR 134 Ca 0.01 0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1x8p s TYR 134 Cb -0.13 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1x8p s TYR 134 CO -0.04 0.62 0.01 0.00 -1.57 0.00 0.00 175.55 174.57 1x8p s ALA 135 N -1.27 0.13 -0.14 3.71 0.00 -0.15 -0.76 121.76 123.27 1x8p s ALA 135 Ca 0.25 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 1x8p s ALA 135 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1x8p s ALA 135 CO 0.17 -0.04 0.53 0.08 0.00 0.00 0.00 175.76 176.50 1x8p s VAL 136 N 0.55 5.13 0.16 0.00 1.01 0.15 -1.16 120.40 126.25 1x8p s VAL 136 Ca -0.05 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1x8p s VAL 136 Cb -0.07 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1x8p s VAL 136 CO -0.01 0.26 -0.04 -0.76 0.00 0.00 0.00 175.10 174.55 1x8p s LEU 137 N 1.00 3.20 0.02 3.92 1.43 0.40 -0.95 118.68 127.70 1x8p s LEU 137 Ca 0.27 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1x8p s LEU 137 Cb -0.16 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1x8p s LEU 137 CO 0.11 0.11 0.12 0.21 0.23 0.00 0.00 176.35 177.13 1x8p s ASN 138 N -2.80 0.09 0.47 2.29 3.84 -0.36 -1.81 114.94 116.66 1x8p s ASN 138 Ca 0.26 -0.35 0.26 0.00 0.21 0.00 0.00 52.86 53.24 1x8p s ASN 138 Cb -0.09 0.22 1.07 0.00 -0.55 0.00 0.00 41.25 41.89 1x8p s ASN 138 CO 0.17 -0.44 1.88 0.03 -2.79 0.00 0.00 177.10 175.96 1x8p h ARG 139 N 3.98 0.00 -4.91 0.43 2.47 -1.30 -0.36 114.38 114.69 1x8p h ARG 139 Ca -0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1x8p h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 1x8p h ARG 139 CO 0.45 0.16 -0.65 1.21 0.56 0.00 0.00 179.97 181.71 1x8p s ASN 140 N -6.07 4.94 0.63 7.04 3.84 -1.26 -4.82 114.94 119.23 1x8p s ASN 140 Ca 0.00 -0.43 0.38 0.00 0.21 0.00 0.00 52.86 53.03 1x8p s ASN 140 Cb 0.10 -1.87 2.11 0.00 -0.55 0.00 0.00 41.25 41.04 1x8p s ASN 140 CO 0.61 -0.09 2.29 0.07 -2.79 0.00 0.00 177.10 177.20 1x8p h LYS 141 N 8.21 0.00 -0.16 0.43 2.10 -1.94 -2.20 116.57 123.01 1x8p h LYS 141 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1x8p h LYS 141 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1x8p h LYS 141 CO 0.59 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 1x8p n ASP 142 N -3.36 3.17 -4.71 7.07 8.00 -1.26 -4.91 116.55 120.55 1x8p n ASP 142 Ca -0.03 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.05 1x8p n ASP 142 Cb 0.10 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1x8p n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x8p s ALA 143 N -1.83 3.53 0.42 2.24 0.00 -0.83 -5.01 121.76 120.29 1x8p s ALA 143 Ca 0.32 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1x8p s ALA 143 Cb 0.21 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1x8p s ALA 143 CO 0.31 -0.56 1.21 0.00 0.00 0.00 0.00 175.76 176.71 1x8p s ALA 144 N 1.11 3.11 0.13 0.00 0.00 -1.26 -4.95 121.76 119.90 1x8p s ALA 144 Ca 0.63 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.31 1x8p s ALA 144 Cb -0.35 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 1x8p s ALA 144 CO 0.30 -0.67 1.70 0.00 0.00 0.00 0.00 175.76 177.09 1x8p s ALA 145 N -1.41 3.78 0.74 0.00 0.00 -1.26 -4.99 121.76 118.62 1x8p s ALA 145 Ca 0.59 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.91 1x8p s ALA 145 Cb -0.32 -3.70 0.12 0.00 0.00 0.00 0.00 23.12 19.22 1x8p s ALA 145 CO 0.40 -1.04 0.80 0.41 0.00 0.00 0.00 175.76 176.34 1x8p n GLY 146 N 4.02 0.10 0.25 0.00 0.00 -1.26 -4.87 105.19 103.42 1x8p n GLY 146 Ca 0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1x8p n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x8p h ASP 147 N -0.67 0.60 0.08 1.61 3.32 -1.98 -1.07 116.42 118.31 1x8p h ASP 147 Ca -0.26 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1x8p h ASP 147 Cb 0.89 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1x8p h ASP 147 CO 0.25 0.83 -0.04 0.11 -1.72 0.00 0.00 179.24 178.67 1x8p h LYS 148 N 0.52 -0.10 -0.10 3.56 1.57 -1.99 0.78 116.57 120.82 1x8p h LYS 148 Ca 0.08 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1x8p h LYS 148 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1x8p h LYS 148 CO 0.05 -0.01 -0.65 -0.24 -0.57 0.00 0.00 179.45 178.03 1x8p h VAL 149 N -0.17 1.37 -0.41 0.50 3.04 -1.93 -1.97 116.25 116.68 1x8p h VAL 149 Ca -0.01 -2.02 -0.10 0.00 -1.01 0.00 0.00 66.70 63.57 1x8p h VAL 149 Cb 0.14 2.00 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1x8p h VAL 149 CO 0.02 0.61 -0.14 0.11 -1.01 0.00 0.00 177.57 177.15 1x8p h LYS 150 N 0.28 0.76 -0.66 4.17 1.57 -1.10 -0.79 116.57 120.80 1x8p h LYS 150 Ca -0.01 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1x8p h LYS 150 Cb 1.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1x8p h LYS 150 CO 0.11 0.86 0.27 0.77 -0.57 0.00 0.00 179.45 180.89 1x8p h SER 151 N 0.68 0.88 -0.52 0.86 0.02 -0.69 -1.59 113.55 113.19 1x8p h SER 151 Ca 0.11 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1x8p h SER 151 Cb 0.62 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1x8p h SER 151 CO 0.04 0.79 0.18 0.00 -1.14 0.00 0.00 176.83 176.70 1x8p h ALA 152 N 1.34 1.24 -0.29 3.77 0.00 -0.72 0.20 119.26 124.79 1x8p h ALA 152 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x8p h ALA 152 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1x8p h ALA 152 CO -0.02 0.54 0.19 0.28 0.00 0.00 0.00 179.25 180.24 1x8p h VAL 153 N 0.83 1.07 -0.82 0.00 2.07 -0.61 -1.74 116.25 117.05 1x8p h VAL 153 Ca 0.19 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1x8p h VAL 153 Cb 0.25 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1x8p h VAL 153 CO -0.01 0.07 0.52 0.28 0.02 0.00 0.00 177.57 178.45 1x8p h SER 154 N 0.39 0.96 0.40 0.57 0.02 -0.61 -2.16 113.55 113.11 1x8p h SER 154 Ca 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1x8p h SER 154 Cb -0.04 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 1x8p h SER 154 CO -0.03 0.72 -0.13 0.00 -1.14 0.00 0.00 176.83 176.25 1x8p h ALA 155 N 1.28 1.27 -0.00 3.77 0.00 -0.23 0.17 119.26 125.52 1x8p h ALA 155 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x8p h ALA 155 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x8p h ALA 155 CO -0.06 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1x8p n ALA 156 N -2.28 2.64 -3.47 0.00 0.00 -0.69 -4.89 120.51 111.82 1x8p n ALA 156 Ca -0.02 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1x8p n ALA 156 Cb 0.25 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.40 1x8p n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x8p n THR 157 N -0.85 -3.93 -4.40 0.00 -1.04 0.05 -5.03 114.28 99.07 1x8p n THR 157 Ca 0.18 -0.18 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1x8p n THR 157 Cb 0.09 -4.25 -0.10 0.00 -1.82 0.00 0.00 70.33 64.24 1x8p n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x8p s LEU 158 N -6.66 2.71 -0.28 -4.42 1.43 -0.85 -5.04 118.68 105.57 1x8p s LEU 158 Ca 0.34 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1x8p s LEU 158 Cb -0.15 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1x8p s LEU 158 CO 0.69 0.06 0.05 -1.61 0.23 0.00 0.00 176.35 175.78 1x8p s GLU 159 N -3.23 3.17 0.49 1.70 0.41 -1.26 -3.74 118.70 116.24 1x8p s GLU 159 Ca 0.27 -0.79 0.14 0.00 -0.41 0.00 0.00 54.97 54.18 1x8p s GLU 159 Cb -0.07 -3.28 1.16 0.00 -1.78 0.00 0.00 34.13 30.16 1x8p s GLU 159 CO 0.15 -0.38 2.12 0.35 -0.49 0.00 0.00 175.26 177.01 1x8p h PHE 160 N 8.20 0.14 -0.02 1.61 3.57 -1.91 -1.18 116.94 127.35 1x8p h PHE 160 Ca -0.34 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.17 1x8p h PHE 160 Cb 1.13 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1x8p h PHE 160 CO 0.61 0.09 0.05 0.66 -2.23 0.00 0.00 178.31 177.49 1x8p h SER 161 N 0.15 0.00 1.38 0.41 4.64 -2.02 -0.89 113.55 117.23 1x8p h SER 161 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1x8p h SER 161 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1x8p h SER 161 CO -0.01 0.00 -0.26 0.11 -0.87 0.00 0.00 176.83 175.80 1x8p h LYS 162 N 0.00 0.00 -7.00 4.77 1.79 -1.63 -3.46 116.57 111.04 1x8p h LYS 162 Ca 0.01 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.97 1x8p h LYS 162 Cb 0.10 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1x8p h LYS 162 CO -0.00 0.00 0.50 -0.06 -1.08 0.00 0.00 179.45 178.81 1x8p s PHE 163 N -3.17 2.85 -0.20 -1.35 0.40 -0.34 -4.89 117.98 111.28 1x8p s PHE 163 Ca 0.08 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.82 1x8p s PHE 163 Cb 0.11 -3.42 -0.05 0.00 0.51 0.00 0.00 43.02 40.17 1x8p s PHE 163 CO 0.66 -1.60 0.18 0.42 0.70 0.00 0.00 175.22 175.58 1x8p s ILE 164 N -1.51 5.37 0.43 0.64 -1.09 0.54 -4.83 121.20 120.74 1x8p s ILE 164 Ca 0.63 0.28 -0.22 0.00 -2.23 0.00 0.00 60.65 59.11 1x8p s ILE 164 Cb -0.30 -3.52 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 1x8p s ILE 164 CO 0.36 0.40 0.98 -0.55 -1.23 0.00 0.00 174.94 174.90 1x8p s SER 165 N 0.60 6.83 0.00 3.58 0.15 -1.26 -1.00 113.70 122.60 1x8p s SER 165 Ca 0.10 1.80 0.23 0.00 0.70 0.00 0.00 55.95 58.78 1x8p s SER 165 Cb -0.12 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.78 1x8p s SER 165 CO 0.01 -0.44 1.18 0.35 1.20 0.00 0.00 173.24 175.54 1x8p n THR 166 N -0.53 0.00 0.32 6.45 -2.24 -0.36 -4.65 114.28 113.28 1x8p n THR 166 Ca 0.07 -0.16 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 1x8p n THR 166 Cb 0.53 0.94 1.11 0.00 -2.10 0.00 0.00 70.33 70.81 1x8p n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1x8p h LYS 167 N 1.50 0.00 -0.64 -0.78 2.10 -1.91 -2.51 116.57 114.33 1x8p h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1x8p h LYS 167 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1x8p h LYS 167 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1x8p n GLU 168 N -3.34 3.99 -0.23 0.07 -0.58 -1.26 -4.25 120.64 115.05 1x8p n GLU 168 Ca -0.03 -2.67 0.12 0.00 -0.42 0.00 0.00 57.16 54.16 1x8p n GLU 168 Cb 0.08 -2.02 0.24 0.00 -0.57 0.00 0.00 31.44 29.17 1x8p n GLU 168 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1x8p n ASN 169 N 0.75 3.57 -3.40 1.62 5.03 -0.95 -4.95 115.26 116.94 1x8p n ASN 169 Ca 0.24 -2.00 -0.25 0.00 0.87 0.00 0.00 54.58 53.44 1x8p n ASN 169 Cb 0.96 -0.30 0.02 0.00 -1.02 0.00 0.00 39.78 39.45 1x8p n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1x8p n ASN 170 N 1.54 -5.01 -4.78 6.41 3.02 -1.26 -4.89 115.26 110.28 1x8p n ASN 170 Ca 0.21 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.92 1x8p n ASN 170 Cb 0.61 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 1x8p n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x8p s ALA 172 N -1.48 2.07 0.12 0.00 0.00 -1.26 -5.14 121.76 116.07 1x8p s ALA 172 Ca 0.46 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1x8p s ALA 172 Cb -0.20 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1x8p s ALA 172 CO 0.25 0.38 -0.15 0.71 0.00 0.00 0.00 175.76 176.94 1x8p s TYR 173 N -0.05 2.60 -0.95 0.00 2.02 -1.26 -5.06 117.35 114.65 1x8p s TYR 173 Ca -0.06 -0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 1x8p s TYR 173 Cb -0.14 -1.37 0.23 0.00 -0.40 0.00 0.00 41.96 40.29 1x8p s TYR 173 CO 0.04 0.41 0.94 0.34 -1.57 0.00 0.00 175.55 175.71 1x8p s ASP 174 N -2.21 6.97 0.37 2.29 -1.08 -1.26 -4.91 116.67 116.85 1x8p s ASP 174 Ca 0.19 -3.00 0.04 0.00 -0.52 0.00 0.00 52.55 49.26 1x8p s ASP 174 Cb -0.11 -2.23 0.72 0.00 -1.46 0.00 0.00 42.92 39.84 1x8p s ASP 174 CO 0.12 -0.50 2.03 0.78 0.52 0.00 0.00 175.17 178.11 1x8p h ASN 175 N 7.41 0.63 -0.52 -0.34 -0.26 -2.00 -2.53 115.58 117.97 1x8p h ASN 175 Ca 0.14 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1x8p h ASN 175 Cb 0.97 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1x8p h ASN 175 CO 0.88 0.46 0.22 0.44 -1.06 0.00 0.00 177.43 178.37 1x8p h ASP 176 N 0.75 0.71 -0.47 5.81 3.32 -2.00 -1.73 116.42 122.80 1x8p h ASP 176 Ca 0.20 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1x8p h ASP 176 Cb -0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1x8p h ASP 176 CO -0.04 0.67 0.28 -1.28 -1.72 0.00 0.00 179.24 177.15 1x8p h SER 177 N 0.69 0.57 -0.72 6.45 0.87 -1.78 -1.20 113.55 118.44 1x8p h SER 177 Ca 0.17 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1x8p h SER 177 Cb 0.18 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 1x8p h SER 177 CO -0.02 0.47 0.44 -0.07 -0.53 0.00 0.00 176.83 177.12 1x8p h LEU 178 N 0.63 0.72 -0.51 2.23 3.38 -1.20 -0.10 115.31 120.46 1x8p h LEU 178 Ca 0.17 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1x8p h LEU 178 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1x8p h LEU 178 CO -0.03 0.48 0.08 0.11 0.09 0.00 0.00 178.44 179.17 1x8p h LYS 179 N 0.85 0.84 0.00 1.13 1.57 -1.18 -3.04 116.57 116.74 1x8p h LYS 179 Ca 0.30 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1x8p h LYS 179 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1x8p h LYS 179 CO -0.13 0.83 -0.58 0.66 -0.57 0.00 0.00 179.45 179.66 1x8p h SER 180 N 0.72 0.00 0.19 0.86 4.64 -0.87 -2.64 113.55 116.44 1x8p h SER 180 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1x8p h SER 180 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1x8p h SER 180 CO 0.01 0.58 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.45 1x8p h LEU 181 N 0.00 0.00 -2.26 5.97 3.38 -0.90 -2.28 115.31 119.21 1x8p h LEU 181 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1x8p h LEU 181 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1x8p h LEU 181 CO 0.08 0.04 0.15 -0.07 0.09 0.00 0.00 178.44 178.72 1x8p h LEU 182 N 0.00 0.00 -0.25 1.67 3.38 -1.47 -0.81 115.31 117.83 1x8p h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x8p h LEU 182 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1x8p h LEU 182 CO 0.00 0.00 -0.14 0.35 0.09 0.00 0.00 178.44 178.75 1x8p n THR 183 N -3.89 0.00 0.85 0.22 -2.24 -0.86 -4.72 114.28 103.64 1x8p n THR 183 Ca 0.00 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 1x8p n THR 183 Cb 0.26 -0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.53 1x8p n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79