#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2u n THR 3 N 0.19 0.00 -4.56 0.00 -2.24 -1.26 -4.98 114.28 101.43 1d2u n THR 3 Ca -0.00 -0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1d2u n THR 3 Cb 0.52 1.51 -0.12 0.00 -2.10 0.00 0.00 70.33 70.14 1d2u n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d2u s LYS 4 N -0.06 3.22 -0.82 -0.78 -0.14 -1.26 -5.04 119.74 114.85 1d2u s LYS 4 Ca 0.00 -0.55 -0.14 0.00 -1.36 0.00 0.00 55.97 53.91 1d2u s LYS 4 Cb 0.00 -2.73 0.21 0.00 -1.68 0.00 0.00 37.83 33.63 1d2u s LYS 4 CO 0.00 0.43 0.77 1.21 -0.76 0.00 0.00 175.35 177.00 1d2u s ASN 5 N -0.17 6.73 0.29 2.83 2.47 -1.26 -5.05 114.94 120.79 1d2u s ASN 5 Ca 0.02 -2.62 -0.29 0.00 0.42 0.00 0.00 52.86 50.39 1d2u s ASN 5 Cb -0.13 -2.22 -0.10 0.00 -1.45 0.00 0.00 41.25 37.35 1d2u s ASN 5 CO 0.03 -0.61 1.20 0.00 -3.72 0.00 0.00 177.10 174.00 1d2u s ALA 6 N 0.34 3.45 -0.15 1.71 0.00 -1.26 -5.00 121.76 120.85 1d2u s ALA 6 Ca 0.18 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1d2u s ALA 6 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1d2u s ALA 6 CO -0.08 -0.39 0.41 0.42 0.00 0.00 0.00 175.76 176.11 1d2u s ILE 7 N -1.05 5.22 0.60 0.00 -1.09 -1.26 -5.02 121.20 118.61 1d2u s ILE 7 Ca 0.47 0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 59.51 1d2u s ILE 7 Cb -0.36 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1d2u s ILE 7 CO 0.46 0.33 1.10 0.00 -1.23 0.00 0.00 174.94 175.60 1d2u s ALA 8 N 0.72 2.61 0.22 9.38 0.00 -1.26 -4.36 121.76 129.08 1d2u s ALA 8 Ca 0.22 0.63 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 1d2u s ALA 8 Cb -0.14 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1d2u s ALA 8 CO 0.08 -0.97 1.57 0.94 0.00 0.00 0.00 175.76 177.38 1d2u n GLN 9 N -1.88 2.38 -2.03 0.00 7.27 -0.06 -4.91 117.38 118.16 1d2u n GLN 9 Ca 0.10 0.85 -0.42 0.00 0.07 0.00 0.00 57.00 57.61 1d2u n GLN 9 Cb 0.52 -2.61 -0.03 0.00 2.41 0.00 0.00 30.24 30.53 1d2u n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1d2u s THR 10 N 0.48 2.87 -0.62 1.69 2.01 -1.26 -2.21 115.64 118.59 1d2u s THR 10 Ca 0.72 0.64 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1d2u s THR 10 Cb -0.59 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1d2u s THR 10 CO 0.42 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1d2u n GLY 11 N 3.47 0.83 3.60 4.40 0.00 -1.26 -4.95 105.19 111.28 1d2u n GLY 11 Ca 0.12 -0.66 -0.50 0.00 0.00 0.00 0.00 46.02 44.98 1d2u n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1d2u n PHE 12 N -2.79 1.63 -3.41 1.61 7.35 -0.94 -4.91 117.46 116.00 1d2u n PHE 12 Ca -0.06 0.58 -0.44 0.00 -0.76 0.00 0.00 57.45 56.76 1d2u n PHE 12 Cb 0.21 -2.36 -0.05 0.00 0.35 0.00 0.00 39.48 37.63 1d2u n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1d2u s ASN 13 N 0.46 6.19 0.17 -2.13 3.84 -1.26 -4.95 114.94 117.25 1d2u s ASN 13 Ca 0.81 -2.24 -0.12 0.00 0.21 0.00 0.00 52.86 51.52 1d2u s ASN 13 Cb -0.88 -2.13 0.06 0.00 -0.55 0.00 0.00 41.25 37.75 1d2u s ASN 13 CO 0.46 -0.68 1.69 0.07 -2.79 0.00 0.00 177.10 175.85 1d2u h LYS 14 N 8.23 0.92 -0.33 0.43 2.10 -2.00 -2.55 116.57 123.37 1d2u h LYS 14 Ca -0.11 -0.21 -0.05 0.00 -2.00 0.00 0.00 60.65 58.28 1d2u h LYS 14 Cb 1.06 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1d2u h LYS 14 CO 0.87 0.84 -0.00 -0.44 -2.00 0.00 0.00 179.45 178.72 1d2u h ASP 15 N 0.83 0.48 -0.25 7.07 3.32 -1.93 0.52 116.42 126.47 1d2u h ASP 15 Ca 0.18 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1d2u h ASP 15 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1d2u h ASP 15 CO -0.00 0.55 -0.61 0.11 -1.72 0.00 0.00 179.24 177.57 1d2u h LYS 16 N 0.49 0.86 0.01 3.56 1.57 -1.96 -3.19 116.57 117.92 1d2u h LYS 16 Ca 0.11 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1d2u h LYS 16 Cb 0.32 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1d2u h LYS 16 CO 0.01 1.21 -0.01 -0.92 -0.57 0.00 0.00 179.45 179.17 1d2u h TYR 17 N 0.64 -0.02 -1.20 -1.35 3.20 -1.19 -3.30 116.97 113.75 1d2u h TYR 17 Ca -0.00 -0.00 -0.72 0.00 3.14 0.00 0.00 58.73 61.15 1d2u h TYR 17 Cb 1.22 0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.36 1d2u h TYR 17 CO 0.08 0.49 2.14 1.19 -1.64 0.00 0.00 178.16 180.42 1d2u n PHE 18 N -4.85 2.50 0.26 -3.82 3.72 0.15 -4.61 117.46 110.81 1d2u n PHE 18 Ca -0.09 -2.72 0.12 0.00 -0.05 0.00 0.00 57.45 54.72 1d2u n PHE 18 Cb 0.26 -1.75 0.22 0.00 -0.94 0.00 0.00 39.48 37.27 1d2u n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1d2u n ASN 19 N 1.53 3.51 0.00 4.37 6.94 -1.12 -3.90 115.26 126.60 1d2u n ASN 19 Ca 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1d2u n ASN 19 Cb 0.28 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1d2u n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1d2u n GLY 20 N 1.51 0.97 3.96 4.83 0.00 0.76 -4.95 105.19 112.28 1d2u n GLY 20 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1d2u n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d2u s ASP 21 N -2.99 4.42 0.02 1.61 2.15 -1.25 -4.70 116.67 115.93 1d2u s ASP 21 Ca 0.00 0.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.92 1d2u s ASP 21 Cb 0.00 -0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.07 1d2u s ASP 21 CO 0.00 -1.82 0.32 -0.69 -0.17 0.00 0.00 175.17 172.81 1d2u s VAL 22 N -3.23 5.21 -0.08 1.11 1.01 -1.26 -2.95 120.40 120.21 1d2u s VAL 22 Ca 0.64 0.36 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1d2u s VAL 22 Cb -0.07 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1d2u s VAL 22 CO 0.45 0.39 -0.24 0.26 0.00 0.00 0.00 175.10 175.96 1d2u s TRP 23 N -1.28 2.51 -0.12 5.22 0.52 0.11 -4.60 118.94 121.29 1d2u s TRP 23 Ca 0.28 -0.85 -0.04 0.00 0.02 0.00 0.00 56.10 55.51 1d2u s TRP 23 Cb -0.14 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1d2u s TRP 23 CO 0.15 -0.29 0.03 0.71 0.02 0.00 0.00 176.95 177.57 1d2u s TYR 24 N 0.06 3.23 -0.23 -1.98 2.02 -0.14 -0.91 117.35 119.40 1d2u s TYR 24 Ca -0.10 0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.47 1d2u s TYR 24 Cb -0.16 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1d2u s TYR 24 CO 0.06 0.39 1.09 0.08 -1.57 0.00 0.00 175.55 175.60 1d2u s VAL 25 N -0.51 4.58 -0.14 0.71 1.01 -0.59 -1.17 120.40 124.29 1d2u s VAL 25 Ca 0.09 1.90 0.18 0.00 0.00 0.00 0.00 61.98 64.16 1d2u s VAL 25 Cb -0.12 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 1d2u s VAL 25 CO 0.02 -0.20 0.19 0.35 0.00 0.00 0.00 175.10 175.46 1d2u n THR 26 N 5.39 0.89 -3.69 3.92 -2.24 -0.02 -4.68 114.28 113.85 1d2u n THR 26 Ca 0.12 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 1d2u n THR 26 Cb 0.46 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.29 1d2u n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1d2u s ASP 27 N -5.04 -0.34 0.07 3.42 1.11 -1.20 -1.18 116.67 113.51 1d2u s ASP 27 Ca -0.09 0.33 -0.10 0.00 0.18 0.00 0.00 52.55 52.87 1d2u s ASP 27 Cb 0.08 0.43 0.01 0.00 1.07 0.00 0.00 42.92 44.50 1d2u s ASP 27 CO 0.81 -0.46 0.22 -0.72 1.18 0.00 0.00 175.17 176.19 1d2u s TYR 28 N -1.15 0.06 -0.16 4.23 1.13 -0.15 -1.01 117.35 120.30 1d2u s TYR 28 Ca -0.12 -0.37 -0.03 0.00 -1.41 0.00 0.00 57.07 55.14 1d2u s TYR 28 Cb -0.04 -0.01 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1d2u s TYR 28 CO 0.05 -0.51 0.05 -1.17 -2.51 0.00 0.00 175.55 171.46 1d2u s LEU 29 N -2.48 0.82 -0.25 -3.49 2.96 0.04 -0.35 118.68 115.93 1d2u s LEU 29 Ca 0.00 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1d2u s LEU 29 Cb 0.02 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 1d2u s LEU 29 CO -0.08 -0.30 0.17 -0.62 -1.32 0.00 0.00 176.35 174.20 1d2u s ASP 30 N 1.96 6.07 0.06 3.68 -1.08 -1.26 -0.63 116.67 125.47 1d2u s ASP 30 Ca 0.01 0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.35 1d2u s ASP 30 Cb -0.16 -2.11 1.00 0.00 -1.46 0.00 0.00 42.92 40.19 1d2u s ASP 30 CO -0.08 0.02 1.78 0.18 0.52 0.00 0.00 175.17 177.59 1d2u n LEU 31 N 4.56 0.20 -3.71 -1.34 4.77 -0.01 -4.11 117.00 117.36 1d2u n LEU 31 Ca -0.15 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.07 1d2u n LEU 31 Cb 0.52 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1d2u n LEU 31 CO 0.34 -0.14 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.45 1d2u s GLU 32 N -3.05 1.56 0.86 3.23 0.41 -1.26 -4.95 118.70 115.51 1d2u s GLU 32 Ca 0.11 -2.42 -0.11 0.00 -0.41 0.00 0.00 54.97 52.14 1d2u s GLU 32 Cb 0.15 -2.49 0.11 0.00 -1.78 0.00 0.00 34.13 30.12 1d2u s GLU 32 CO 0.47 -1.24 1.15 -2.14 -0.49 0.00 0.00 175.26 173.01 1d2u s PRO 33 N -0.23 1.40 0.00 0.39 0.02 -1.26 -4.79 135.00 130.53 1d2u s PRO 33 Ca 0.23 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1d2u s PRO 33 Cb -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1d2u s PRO 33 CO -0.08 -2.35 0.00 -3.47 -0.33 0.00 0.00 177.00 170.77 1d2u n ASP 34 N -3.88 0.00 -2.89 2.53 4.64 -1.26 -4.89 116.55 110.80 1d2u n ASP 34 Ca 0.12 0.00 -0.17 0.00 -1.38 0.00 0.00 54.79 53.36 1d2u n ASP 34 Cb 0.52 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.59 1d2u n ASP 34 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1d2u n ASP 35 N 0.00 2.00 -3.06 1.67 9.92 -1.26 -5.10 116.55 120.72 1d2u n ASP 35 Ca 0.00 -3.08 -0.16 0.00 -0.53 0.00 0.00 54.79 51.02 1d2u n ASP 35 Cb 0.00 -0.56 0.13 0.00 -0.64 0.00 0.00 41.12 40.05 1d2u n ASP 35 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1d2u n VAL 36 N -0.00 0.00 -2.13 2.53 3.14 -1.26 -4.88 118.33 115.72 1d2u n VAL 36 Ca 0.22 -0.26 -0.29 0.00 -2.96 0.00 0.00 64.34 61.04 1d2u n VAL 36 Cb 0.68 -1.14 -0.05 0.00 -1.06 0.00 0.00 33.84 32.27 1d2u n VAL 36 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1d2u s PRO 37 N -4.32 2.71 0.32 1.45 0.02 -1.26 -4.68 135.00 129.25 1d2u s PRO 37 Ca 0.38 -0.78 0.24 0.00 0.02 0.00 0.00 61.00 60.85 1d2u s PRO 37 Cb -0.04 -5.18 0.43 0.00 0.02 0.00 0.00 34.50 29.73 1d2u s PRO 37 CO 0.29 -3.42 1.56 0.87 -0.33 0.00 0.00 177.00 175.97 1d2u h LYS 38 N 10.37 0.00 -4.44 5.54 1.57 -2.01 -3.41 116.57 124.20 1d2u h LYS 38 Ca 0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.33 1d2u h LYS 38 Cb 0.97 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.90 1d2u h LYS 38 CO 1.25 0.00 -0.79 1.03 -0.57 0.00 0.00 179.45 180.37 1d2u s ARG 39 N -3.19 1.74 0.16 3.15 0.52 -1.26 -4.90 118.95 115.15 1d2u s ARG 39 Ca 0.07 -1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 1d2u s ARG 39 Cb 0.08 -2.61 0.06 0.00 0.52 0.00 0.00 34.95 33.01 1d2u s ARG 39 CO 0.67 -0.58 0.55 -0.47 0.02 0.00 0.00 175.30 175.49 1d2u s TYR 40 N 1.36 -0.44 -0.02 -0.53 6.14 -1.26 -4.50 117.35 118.11 1d2u s TYR 40 Ca -0.06 0.19 0.01 0.00 0.64 0.00 0.00 57.07 57.86 1d2u s TYR 40 Cb -0.19 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.68 1d2u s TYR 40 CO -0.06 -0.83 -0.05 0.00 0.64 0.00 0.00 175.55 175.25 1d2u s ALA 42 N 0.29 -1.23 0.16 0.00 0.00 -1.26 -1.30 121.76 118.42 1d2u s ALA 42 Ca -0.03 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 1d2u s ALA 42 Cb -0.07 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1d2u s ALA 42 CO -0.00 -0.31 0.42 0.00 0.00 0.00 0.00 175.76 175.86 1d2u s ALA 43 N -1.25 -0.68 0.08 0.00 0.00 -0.61 -1.55 121.76 117.75 1d2u s ALA 43 Ca -0.12 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 1d2u s ALA 43 Cb -0.03 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1d2u s ALA 43 CO 0.07 -0.71 0.25 -0.48 0.00 0.00 0.00 175.76 174.90 1d2u s LEU 44 N -2.87 1.11 0.03 0.00 0.05 -0.08 -1.00 118.68 115.91 1d2u s LEU 44 Ca 0.09 -0.45 0.09 0.00 0.05 0.00 0.00 54.13 53.91 1d2u s LEU 44 Cb 0.01 1.24 -0.03 0.00 -2.05 0.00 0.00 46.19 45.37 1d2u s LEU 44 CO -0.05 -0.70 -0.25 0.00 -0.55 0.00 0.00 176.35 174.80 1d2u s ALA 45 N -3.37 2.31 -0.04 1.48 0.00 0.47 0.04 121.76 122.65 1d2u s ALA 45 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1d2u s ALA 45 Cb 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1d2u s ALA 45 CO -0.08 0.54 -0.03 0.00 0.00 0.00 0.00 175.76 176.18 1d2u s ALA 46 N -0.80 0.57 0.06 0.00 0.00 -1.15 -0.99 121.76 119.45 1d2u s ALA 46 Ca 0.12 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 1d2u s ALA 46 Cb -0.10 -0.38 0.09 0.00 0.00 0.00 0.00 23.12 22.73 1d2u s ALA 46 CO 0.02 -0.02 1.19 0.20 0.00 0.00 0.00 175.76 177.15 1d2u s GLY 47 N 0.90 -0.04 -0.17 0.00 0.00 -0.58 -0.17 107.32 107.27 1d2u s GLY 47 Ca -0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 1d2u s GLY 47 CO -0.00 4.16 0.02 -1.59 0.00 0.00 0.00 173.10 175.69 1d2u s THR 48 N -2.10 4.40 -0.13 0.90 2.01 -1.25 -0.44 115.64 119.03 1d2u s THR 48 Ca 0.26 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1d2u s THR 48 Cb -0.01 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1d2u s THR 48 CO 0.01 0.48 -0.09 0.00 -0.69 0.00 0.00 174.62 174.34 1d2u s ALA 49 N 0.29 1.48 -1.53 7.40 0.00 -0.03 -4.77 121.76 124.61 1d2u s ALA 49 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1d2u s ALA 49 Cb -0.13 -0.98 0.07 0.00 0.00 0.00 0.00 23.12 22.08 1d2u s ALA 49 CO 0.01 -0.47 0.60 0.45 0.00 0.00 0.00 175.76 176.36 1d2u n SER 50 N 4.89 -1.80 0.00 0.00 2.88 -1.26 -1.06 113.62 117.27 1d2u n SER 50 Ca -0.13 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 1d2u n SER 50 Cb 0.50 -3.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.95 1d2u n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d2u n GLY 51 N -1.75 0.69 3.73 0.46 0.00 -1.26 -5.03 105.19 102.03 1d2u n GLY 51 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1d2u n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2u s LYS 52 N -0.24 3.58 -0.13 1.61 -0.14 -0.22 -5.07 119.74 119.12 1d2u s LYS 52 Ca 0.00 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.03 1d2u s LYS 52 Cb 0.00 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 1d2u s LYS 52 CO 0.00 0.53 1.14 -1.17 -0.76 0.00 0.00 175.35 175.10 1d2u s LEU 53 N -0.36 4.21 0.11 3.17 2.96 -1.26 -0.85 118.68 126.65 1d2u s LEU 53 Ca 0.09 1.63 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1d2u s LEU 53 Cb -0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1d2u s LEU 53 CO 0.02 -0.62 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.80 1d2u s LYS 54 N 2.71 0.89 0.00 1.98 -0.14 0.42 -0.64 119.74 124.96 1d2u s LYS 54 Ca 0.52 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 1d2u s LYS 54 Cb -0.21 -0.41 -0.00 0.00 -1.68 0.00 0.00 37.83 35.53 1d2u s LYS 54 CO 0.16 0.04 -0.02 -1.21 -0.76 0.00 0.00 175.35 173.56 1d2u s GLU 55 N -3.48 0.14 -0.10 1.68 2.02 -0.57 -1.53 118.70 116.86 1d2u s GLU 55 Ca 0.11 -0.15 0.04 0.00 0.02 0.00 0.00 54.97 54.99 1d2u s GLU 55 Cb 0.02 -0.06 -0.00 0.00 0.10 0.00 0.00 34.13 34.19 1d2u s GLU 55 CO -0.02 0.01 -0.23 0.00 0.02 0.00 0.00 175.26 175.04 1d2u s ALA 56 N -0.29 2.20 0.16 5.21 0.00 -0.16 -0.93 121.76 127.95 1d2u s ALA 56 Ca -0.02 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.07 1d2u s ALA 56 Cb -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1d2u s ALA 56 CO -0.00 0.30 -0.23 -0.51 0.00 0.00 0.00 175.76 175.32 1d2u s LEU 57 N 0.30 2.48 -0.04 0.00 1.43 0.07 -0.39 118.68 122.53 1d2u s LEU 57 Ca -0.17 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1d2u s LEU 57 Cb -0.17 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1d2u s LEU 57 CO 0.08 0.15 -0.03 -0.47 0.23 0.00 0.00 176.35 176.31 1d2u s TYR 58 N -1.39 0.63 -0.03 0.29 5.04 -0.17 -1.65 117.35 120.08 1d2u s TYR 58 Ca 0.18 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.72 1d2u s TYR 58 Cb -0.09 -0.61 -0.01 0.00 0.35 0.00 0.00 41.96 41.60 1d2u s TYR 58 CO 0.09 -0.18 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.91 1d2u s HIS 59 N 1.00 1.83 -0.14 4.97 3.76 -0.38 -1.58 115.29 124.75 1d2u s HIS 59 Ca -0.10 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.35 1d2u s HIS 59 Cb -0.14 -1.19 0.06 0.00 1.11 0.00 0.00 32.58 32.42 1d2u s HIS 59 CO -0.01 -0.08 0.30 -0.47 -0.85 0.00 0.00 174.74 173.64 1d2u s TYR 60 N -0.33 -0.47 -0.43 1.40 5.04 -0.42 -1.72 117.35 120.41 1d2u s TYR 60 Ca 0.04 1.04 -0.20 0.00 -2.44 0.00 0.00 57.07 55.51 1d2u s TYR 60 Cb -0.09 0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.34 1d2u s TYR 60 CO 0.00 -0.33 0.61 0.34 -1.34 0.00 0.00 175.55 174.84 1d2u s ASP 61 N 1.84 6.30 0.00 4.32 -1.08 -0.08 -1.03 116.67 126.96 1d2u s ASP 61 Ca -0.05 -0.38 0.11 0.00 -0.52 0.00 0.00 52.55 51.70 1d2u s ASP 61 Cb -0.11 -2.30 0.45 0.00 -1.46 0.00 0.00 42.92 39.50 1d2u s ASP 61 CO -0.10 -0.74 1.34 -0.81 0.52 0.00 0.00 175.17 175.37 1d2u n PRO 62 N 6.15 0.00 -0.13 4.34 -0.04 -1.26 -0.37 135.00 143.69 1d2u n PRO 62 Ca -0.02 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.49 1d2u n PRO 62 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 1d2u n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d2u n LYS 63 N -1.51 0.57 0.20 0.54 4.76 -1.26 -4.60 118.16 116.86 1d2u n LYS 63 Ca 0.02 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 1d2u n LYS 63 Cb 0.12 -1.46 0.13 0.00 -1.84 0.00 0.00 35.03 31.98 1d2u n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1d2u h THR 64 N -0.98 0.08 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.74 1d2u h THR 64 Ca -0.60 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1d2u h THR 64 Cb 1.52 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1d2u h THR 64 CO -0.36 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 174.95 1d2u n GLN 65 N -3.05 -0.22 -1.72 4.72 1.13 0.50 -5.00 117.38 113.73 1d2u n GLN 65 Ca 0.03 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 1d2u n GLN 65 Cb 0.55 -3.22 -0.03 0.00 0.11 0.00 0.00 30.24 27.66 1d2u n GLN 65 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1d2u s ASP 66 N -2.03 6.43 0.00 1.08 2.15 -1.25 -4.74 116.67 118.32 1d2u s ASP 66 Ca 0.00 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.73 1d2u s ASP 66 Cb 0.00 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1d2u s ASP 66 CO 0.00 -1.00 -0.02 -0.89 -0.17 0.00 0.00 175.17 173.09 1d2u s THR 67 N 2.69 0.12 -0.05 1.71 2.01 -1.26 -0.90 115.64 119.96 1d2u s THR 67 Ca 0.80 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 1d2u s THR 67 Cb -0.46 -0.14 0.06 0.00 0.01 0.00 0.00 72.50 71.98 1d2u s THR 67 CO 0.36 -0.07 0.63 0.72 -0.69 0.00 0.00 174.62 175.57 1d2u s PHE 68 N -0.31 -0.60 0.14 4.92 -0.71 -0.70 -5.02 117.98 115.71 1d2u s PHE 68 Ca -0.03 1.02 0.10 0.00 -1.04 0.00 0.00 56.93 56.99 1d2u s PHE 68 Cb -0.02 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1d2u s PHE 68 CO -0.00 -0.57 -0.21 0.71 -1.34 0.00 0.00 175.22 173.81 1d2u s TYR 69 N -1.18 2.44 0.04 3.49 1.51 -1.25 -1.25 117.35 121.15 1d2u s TYR 69 Ca -0.11 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1d2u s TYR 69 Cb -0.01 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1d2u s TYR 69 CO 0.09 0.41 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.39 1d2u s ASP 70 N -2.30 0.49 -0.01 2.29 1.11 -0.66 -1.48 116.67 116.11 1d2u s ASP 70 Ca 0.18 -0.77 0.02 0.00 0.18 0.00 0.00 52.55 52.16 1d2u s ASP 70 Cb -0.10 0.14 -0.00 0.00 1.07 0.00 0.00 42.92 44.03 1d2u s ASP 70 CO 0.09 -0.44 -0.08 0.68 1.18 0.00 0.00 175.17 176.61 1d2u s VAL 71 N -2.74 0.65 0.03 -1.27 -7.23 -0.27 -0.75 120.40 108.82 1d2u s VAL 71 Ca -0.03 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1d2u s VAL 71 Cb -0.01 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 1d2u s VAL 71 CO -0.05 0.19 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.44 1d2u s SER 72 N -0.03 0.49 -0.21 4.85 0.01 -0.11 -1.26 113.70 117.44 1d2u s SER 72 Ca 0.01 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.73 1d2u s SER 72 Cb -0.05 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1d2u s SER 72 CO -0.00 -0.21 0.12 -0.70 0.41 0.00 0.00 173.24 172.86 1d2u s GLU 73 N -1.28 4.07 -0.11 12.44 2.56 -1.25 -1.52 118.70 133.61 1d2u s GLU 73 Ca -0.11 -0.28 -0.08 0.00 0.00 0.00 0.00 54.97 54.50 1d2u s GLU 73 Cb -0.09 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.59 1d2u s GLU 73 CO -0.00 0.18 0.17 -0.51 -0.56 0.00 0.00 175.26 174.54 1d2u s LEU 74 N 0.68 4.40 -0.03 2.70 1.02 0.18 -3.68 118.68 123.96 1d2u s LEU 74 Ca 0.06 0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.76 1d2u s LEU 74 Cb -0.12 -2.14 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 1d2u s LEU 74 CO 0.01 0.40 -0.04 -1.10 0.02 0.00 0.00 176.35 175.64 1d2u s GLN 75 N -1.02 2.74 -0.08 1.70 -0.21 0.20 -4.59 119.66 118.40 1d2u s GLN 75 Ca 0.16 -0.60 -0.21 0.00 0.02 0.00 0.00 55.36 54.73 1d2u s GLN 75 Cb -0.13 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1d2u s GLN 75 CO 0.05 0.64 0.60 0.08 -2.12 0.00 0.00 175.29 174.54 1d2u s VAL 76 N -0.96 5.09 -0.24 1.09 1.01 -1.26 -1.12 120.40 124.00 1d2u s VAL 76 Ca 0.16 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1d2u s VAL 76 Cb -0.11 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 1d2u s VAL 76 CO 0.06 0.30 -0.16 -0.62 0.00 0.00 0.00 175.10 174.68 1d2u n GLU 77 N 3.59 0.66 -3.80 2.72 -0.58 -0.08 -4.95 120.64 118.19 1d2u n GLU 77 Ca -0.04 0.17 -0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1d2u n GLU 77 Cb 0.51 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1d2u n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1d2u s SER 78 N -6.63 -0.06 -0.03 1.62 1.04 -1.11 -5.02 113.70 103.52 1d2u s SER 78 Ca -0.34 -0.40 -0.33 0.00 0.48 0.00 0.00 55.95 55.36 1d2u s SER 78 Cb 0.09 0.36 -0.11 0.00 0.10 0.00 0.00 66.02 66.46 1d2u s SER 78 CO 0.62 -0.69 1.87 -0.11 0.98 0.00 0.00 173.24 175.90 1d2u n LEU 79 N -0.62 3.60 0.00 2.42 7.94 -1.26 -1.29 117.00 127.79 1d2u n LEU 79 Ca -0.04 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1d2u n LEU 79 Cb 0.60 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1d2u n LEU 79 CO 0.16 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 1d2u n GLY 80 N 4.33 0.43 2.88 -3.96 0.00 -1.26 -4.73 105.19 102.88 1d2u n GLY 80 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1d2u n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d2u s LYS 81 N -0.38 1.38 0.16 1.61 2.20 -0.41 -1.06 119.74 123.24 1d2u s LYS 81 Ca 0.00 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 1d2u s LYS 81 Cb 0.00 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.74 1d2u s LYS 81 CO 0.00 -0.29 -0.09 0.71 -0.36 0.00 0.00 175.35 175.32 1d2u s TYR 82 N 1.74 1.35 -0.10 4.03 2.02 -0.19 -0.90 117.35 125.30 1d2u s TYR 82 Ca 0.05 -0.76 0.03 0.00 -0.37 0.00 0.00 57.07 56.01 1d2u s TYR 82 Cb -0.13 -0.70 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1d2u s TYR 82 CO -0.08 0.10 -0.19 0.99 -1.57 0.00 0.00 175.55 174.80 1d2u s THR 83 N -3.30 1.75 -0.13 -0.71 2.01 -0.27 -1.15 115.64 113.84 1d2u s THR 83 Ca 0.19 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1d2u s THR 83 Cb 0.03 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1d2u s THR 83 CO 0.02 0.49 -0.14 0.00 -0.69 0.00 0.00 174.62 174.30 1d2u s ALA 84 N 0.64 1.73 -0.31 7.40 0.00 0.75 -0.63 121.76 131.33 1d2u s ALA 84 Ca -0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1d2u s ALA 84 Cb -0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1d2u s ALA 84 CO 0.04 -0.24 0.43 -0.80 0.00 0.00 0.00 175.76 175.19 1d2u s ASN 85 N 1.27 6.27 0.15 0.00 0.01 -1.24 -1.00 114.94 120.41 1d2u s ASN 85 Ca -0.01 0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1d2u s ASN 85 Cb -0.14 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1d2u s ASN 85 CO -0.06 -0.32 0.32 0.72 -1.51 0.00 0.00 177.10 176.25 1d2u s PHE 86 N 2.18 3.49 -0.07 2.20 -0.12 -1.24 -3.88 117.98 120.55 1d2u s PHE 86 Ca 0.16 0.29 0.03 0.00 -0.05 0.00 0.00 56.93 57.37 1d2u s PHE 86 Cb -0.16 -1.81 0.01 0.00 -0.63 0.00 0.00 43.02 40.43 1d2u s PHE 86 CO 0.11 0.47 -0.17 -1.59 -0.05 0.00 0.00 175.22 173.99 1d2u s LYS 87 N -3.03 2.18 0.01 1.99 -2.85 -0.39 -4.21 119.74 113.44 1d2u s LYS 87 Ca 0.37 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1d2u s LYS 87 Cb -0.12 -1.74 -0.03 0.00 -2.06 0.00 0.00 37.83 33.88 1d2u s LYS 87 CO 0.28 0.13 0.98 0.21 0.10 0.00 0.00 175.35 177.04 1d2u s LYS 88 N 0.42 4.57 0.17 1.78 2.20 -0.62 -1.11 119.74 127.16 1d2u s LYS 88 Ca -0.14 1.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.91 1d2u s LYS 88 Cb -0.16 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1d2u s LYS 88 CO 0.05 -0.03 0.00 0.14 -0.36 0.00 0.00 175.35 175.16 1d2u s VAL 89 N 0.93 0.66 0.88 4.02 -7.23 -0.55 -0.42 120.40 118.70 1d2u s VAL 89 Ca 0.51 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 1d2u s VAL 89 Cb -0.21 -2.13 0.20 0.00 0.56 0.00 0.00 36.38 34.80 1d2u s VAL 89 CO 0.28 -0.47 1.20 -0.90 -0.31 0.00 0.00 175.10 174.91 1d2u n ASP 90 N -0.24 0.29 0.22 4.85 5.68 -0.05 -3.77 116.55 123.53 1d2u n ASP 90 Ca -0.06 -1.56 0.15 0.00 -0.50 0.00 0.00 54.79 52.82 1d2u n ASP 90 Cb 0.63 -0.90 0.74 0.00 -1.14 0.00 0.00 41.12 40.45 1d2u n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1d2u h LYS 91 N 0.00 0.00 -0.41 0.11 2.10 -1.95 -1.62 116.57 114.79 1d2u h LYS 91 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1d2u h LYS 91 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1d2u h LYS 91 CO 0.29 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.83 1d2u n ASN 92 N -2.62 3.25 0.00 7.07 5.03 -1.26 -4.79 115.26 121.93 1d2u n ASN 92 Ca -0.01 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1d2u n ASN 92 Cb 0.15 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1d2u n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d2u n GLY 93 N 1.47 0.74 3.72 7.41 0.00 -0.61 -4.99 105.19 112.93 1d2u n GLY 93 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1d2u n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1d2u s ASN 94 N -2.78 7.08 0.11 1.61 0.01 -1.26 -4.75 114.94 114.96 1d2u s ASN 94 Ca 0.00 2.07 -0.31 0.00 -0.71 0.00 0.00 52.86 53.92 1d2u s ASN 94 Cb 0.00 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 1d2u s ASN 94 CO 0.00 -0.45 1.33 -0.69 -1.51 0.00 0.00 177.10 175.78 1d2u s VAL 95 N 0.80 3.48 -0.15 1.60 1.01 -1.26 -0.87 120.40 125.01 1d2u s VAL 95 Ca 0.57 1.08 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1d2u s VAL 95 Cb -0.30 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 1d2u s VAL 95 CO 0.31 0.10 -0.09 0.29 0.00 0.00 0.00 175.10 175.70 1d2u n LYS 96 N 3.76 0.83 -3.62 2.72 5.02 0.44 -4.92 118.16 122.39 1d2u n LYS 96 Ca 0.10 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.24 1d2u n LYS 96 Cb 0.43 -1.31 -0.17 0.00 -0.02 0.00 0.00 35.03 33.97 1d2u n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1d2u s VAL 97 N -2.31 -0.16 0.81 -0.18 1.01 -0.83 -4.98 120.40 113.77 1d2u s VAL 97 Ca -0.17 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1d2u s VAL 97 Cb 0.05 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 36.10 1d2u s VAL 97 CO 0.40 -0.06 1.09 0.00 0.00 0.00 0.00 175.10 176.53 1d2u s ALA 98 N 2.20 2.02 0.35 5.51 0.00 -1.26 -1.58 121.76 128.99 1d2u s ALA 98 Ca 0.04 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 1d2u s ALA 98 Cb -0.14 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1d2u s ALA 98 CO -0.07 -1.97 1.34 0.28 0.00 0.00 0.00 175.76 175.33 1d2u n VAL 99 N -3.65 1.98 -3.83 0.00 0.31 -1.26 -4.83 118.33 107.05 1d2u n VAL 99 Ca 0.08 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.79 1d2u n VAL 99 Cb 0.54 -1.66 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 1d2u n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1d2u s THR 100 N -1.08 -0.02 0.45 2.52 2.01 -1.26 -5.08 115.64 113.18 1d2u s THR 100 Ca 0.55 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 1d2u s THR 100 Cb -0.55 -0.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 1d2u s THR 100 CO 0.62 0.03 1.34 0.00 -0.69 0.00 0.00 174.62 175.92 1d2u s ALA 101 N 0.38 3.16 0.00 7.40 0.00 -1.26 -2.00 121.76 129.43 1d2u s ALA 101 Ca -0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1d2u s ALA 101 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1d2u s ALA 101 CO -0.01 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1d2u n GLY 102 N 0.63 3.37 3.12 0.00 0.00 -1.26 -4.98 105.19 106.06 1d2u n GLY 102 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1d2u n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1d2u s ASN 103 N -0.98 5.26 0.22 1.61 -0.87 -0.85 -3.68 114.94 115.65 1d2u s ASN 103 Ca 0.00 -2.16 -0.19 0.00 -1.57 0.00 0.00 52.86 48.93 1d2u s ASN 103 Cb 0.00 -1.84 0.03 0.00 -0.02 0.00 0.00 41.25 39.42 1d2u s ASN 103 CO 0.00 -0.52 0.60 -0.72 -2.57 0.00 0.00 177.10 173.89 1d2u s TYR 104 N 0.95 -0.19 0.07 2.20 1.13 -0.43 -3.63 117.35 117.45 1d2u s TYR 104 Ca 0.10 -0.16 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1d2u s TYR 104 Cb -0.23 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1d2u s TYR 104 CO -0.04 -1.01 -0.10 1.52 -2.51 0.00 0.00 175.55 173.41 1d2u s TYR 105 N -3.87 0.96 0.12 -3.49 1.13 -0.17 -0.65 117.35 111.38 1d2u s TYR 105 Ca 0.09 -0.58 0.02 0.00 -1.41 0.00 0.00 57.07 55.19 1d2u s TYR 105 Cb -0.03 -0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 40.26 1d2u s TYR 105 CO -0.01 -0.03 0.21 0.95 -2.51 0.00 0.00 175.55 174.17 1d2u s THR 106 N -1.95 5.08 -0.09 -3.49 -4.23 -0.50 -0.18 115.64 110.28 1d2u s THR 106 Ca -0.01 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1d2u s THR 106 Cb -0.06 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.27 1d2u s THR 106 CO 0.00 -0.02 0.18 0.12 -0.54 0.00 0.00 174.62 174.36 1d2u s PHE 107 N -1.65 -0.22 -0.09 3.99 5.36 -0.30 -2.43 117.98 122.64 1d2u s PHE 107 Ca 0.33 0.63 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 1d2u s PHE 107 Cb -0.11 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1d2u s PHE 107 CO 0.27 -0.25 -0.13 0.99 -1.46 0.00 0.00 175.22 174.64 1d2u s THR 108 N 1.87 1.30 -0.55 0.12 2.01 -0.18 -1.03 115.64 119.18 1d2u s THR 108 Ca -0.02 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 1d2u s THR 108 Cb -0.12 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.26 1d2u s THR 108 CO -0.06 0.40 0.74 -0.69 -0.69 0.00 0.00 174.62 174.32 1d2u s VAL 109 N 0.90 4.70 0.02 3.82 1.01 -0.23 -1.31 120.40 129.32 1d2u s VAL 109 Ca -0.09 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.56 1d2u s VAL 109 Cb -0.15 -4.43 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1d2u s VAL 109 CO 0.01 -1.01 1.36 0.24 0.00 0.00 0.00 175.10 175.70 1d2u h MET 110 N 9.16 0.00 -2.11 2.72 2.86 -1.14 -0.12 114.93 126.30 1d2u h MET 110 Ca -0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1d2u h MET 110 Cb 1.09 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.54 1d2u h MET 110 CO 1.04 0.79 0.10 -0.47 1.06 0.00 0.00 176.91 179.43 1d2u s TYR 111 N -2.85 -0.69 -0.12 -0.22 5.04 -1.07 -3.18 117.35 114.26 1d2u s TYR 111 Ca 0.02 1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 55.90 1d2u s TYR 111 Cb 0.09 0.30 0.07 0.00 0.35 0.00 0.00 41.96 42.77 1d2u s TYR 111 CO 0.79 -0.44 0.68 0.00 -1.34 0.00 0.00 175.55 175.24 1d2u s ALA 112 N -0.20 -1.75 0.00 3.97 0.00 -1.26 -0.94 121.76 121.58 1d2u s ALA 112 Ca -0.04 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1d2u s ALA 112 Cb -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1d2u s ALA 112 CO 0.04 -0.36 0.00 -0.40 0.00 0.00 0.00 175.76 175.04 1d2u n ASP 113 N 1.53 0.00 0.24 0.00 5.68 -0.11 -4.96 116.55 118.93 1d2u n ASP 113 Ca -0.17 -0.94 0.09 0.00 -0.50 0.00 0.00 54.79 53.26 1d2u n ASP 113 Cb 0.56 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.13 1d2u n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1d2u h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.32 116.42 113.28 1d2u h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1d2u h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1d2u h ASP 114 CO 0.00 0.19 -0.42 -1.20 -1.72 0.00 0.00 179.24 176.09 1d2u n SER 115 N -3.86 1.17 -4.04 6.45 7.64 -1.26 -4.87 113.62 114.85 1d2u n SER 115 Ca -0.02 -0.44 -0.08 0.00 1.01 0.00 0.00 58.87 59.34 1d2u n SER 115 Cb 0.29 1.04 -0.09 0.00 -1.01 0.00 0.00 64.21 64.44 1d2u n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1d2u s SER 116 N -1.62 0.32 0.17 6.43 1.04 -1.25 -1.12 113.70 117.67 1d2u s SER 116 Ca 0.01 -0.97 -0.22 0.00 0.48 0.00 0.00 55.95 55.24 1d2u s SER 116 Cb 0.03 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1d2u s SER 116 CO 0.15 -0.69 0.60 0.00 0.98 0.00 0.00 173.24 174.28 1d2u s ALA 117 N -3.95 -1.52 -0.11 5.32 0.00 -0.77 -0.93 121.76 119.80 1d2u s ALA 117 Ca 0.12 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1d2u s ALA 117 Cb 0.07 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1d2u s ALA 117 CO -0.06 -0.78 -0.12 -1.17 0.00 0.00 0.00 175.76 173.63 1d2u s LEU 118 N -2.77 1.50 0.18 0.00 2.96 -0.12 -0.60 118.68 119.84 1d2u s LEU 118 Ca 0.02 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1d2u s LEU 118 Cb -0.01 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 1d2u s LEU 118 CO -0.11 -0.04 -0.13 0.27 -1.32 0.00 0.00 176.35 175.01 1d2u s ILE 119 N 1.26 1.56 -0.02 6.68 -4.36 -0.24 -0.76 121.20 125.32 1d2u s ILE 119 Ca -0.02 -2.14 0.07 0.00 -0.26 0.00 0.00 60.65 58.30 1d2u s ILE 119 Cb -0.14 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 1d2u s ILE 119 CO -0.04 -0.63 -0.23 -2.28 0.24 0.00 0.00 174.94 172.00 1d2u s HIS 120 N -3.02 2.41 0.01 1.37 5.65 -0.43 -1.11 115.29 120.18 1d2u s HIS 120 Ca 0.20 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.14 1d2u s HIS 120 Cb -0.00 -1.53 -0.01 0.00 -1.18 0.00 0.00 32.58 29.86 1d2u s HIS 120 CO 0.05 0.02 -0.03 -0.08 -0.65 0.00 0.00 174.74 174.05 1d2u s THR 121 N -0.64 0.16 -0.23 0.89 -1.32 0.51 -1.01 115.64 113.99 1d2u s THR 121 Ca 0.10 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.05 1d2u s THR 121 Cb -0.10 -0.23 0.06 0.00 -1.51 0.00 0.00 72.50 70.72 1d2u s THR 121 CO -0.01 -0.25 -0.07 0.00 -2.21 0.00 0.00 174.62 172.09 1d2u s LEU 123 N 1.36 4.42 -0.17 0.00 2.96 -1.26 -1.41 118.68 124.58 1d2u s LEU 123 Ca -0.05 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 1d2u s LEU 123 Cb -0.19 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 43.91 1d2u s LEU 123 CO -0.06 0.23 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.07 1d2u s HIS 124 N -0.60 2.36 -0.21 5.38 3.76 0.18 -4.59 115.29 121.56 1d2u s HIS 124 Ca 0.24 -1.44 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 1d2u s HIS 124 Cb -0.16 -1.66 0.10 0.00 1.11 0.00 0.00 32.58 31.97 1d2u s HIS 124 CO 0.13 -0.72 0.24 0.21 -0.85 0.00 0.00 174.74 173.75 1d2u s LYS 125 N 1.42 0.21 3.02 1.40 2.20 -1.24 -1.32 119.74 125.43 1d2u s LYS 125 Ca 0.02 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1d2u s LYS 125 Cb -0.14 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.08 1d2u s LYS 125 CO -0.10 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1d2u n GLY 126 N 5.33 2.96 0.10 5.54 0.00 -1.25 -3.00 105.19 114.87 1d2u n GLY 126 Ca -0.05 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1d2u n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d2u n ASN 127 N 3.29 0.57 -4.80 1.61 3.02 -1.26 -5.00 115.26 112.69 1d2u n ASN 127 Ca 0.00 -0.42 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 1d2u n ASN 127 Cb 0.00 0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 1d2u n ASN 127 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d2u s LYS 128 N -2.72 4.11 -0.33 3.52 1.02 -1.16 -5.03 119.74 119.15 1d2u s LYS 128 Ca 0.20 1.30 -0.12 0.00 0.02 0.00 0.00 55.97 57.37 1d2u s LYS 128 Cb 0.19 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1d2u s LYS 128 CO 0.57 -0.16 0.22 0.34 -0.92 0.00 0.00 175.35 175.40 1d2u s ASP 129 N -1.93 5.96 0.16 2.83 2.15 -1.26 -4.73 116.67 119.85 1d2u s ASP 129 Ca 0.62 -0.40 0.11 0.00 0.43 0.00 0.00 52.55 53.31 1d2u s ASP 129 Cb -0.15 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1d2u s ASP 129 CO 0.19 -0.21 -0.25 -0.76 -0.17 0.00 0.00 175.17 173.98 1d2u s LEU 130 N 1.71 2.41 0.53 -1.34 1.43 -1.26 -4.71 118.68 117.45 1d2u s LEU 130 Ca 0.06 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1d2u s LEU 130 Cb -0.17 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1d2u s LEU 130 CO 0.10 0.15 0.27 -0.83 0.23 0.00 0.00 176.35 176.27 1d2u s GLY 131 N -2.36 2.59 0.42 -3.19 0.00 -1.26 -1.97 107.32 101.55 1d2u s GLY 131 Ca 0.18 -0.95 -0.26 0.00 0.00 0.00 0.00 44.72 43.68 1d2u s GLY 131 CO 0.08 -2.03 1.41 0.99 0.00 0.00 0.00 173.10 173.55 1d2u s ASP 132 N -4.15 6.10 -0.06 1.64 1.11 -1.26 -4.56 116.67 115.48 1d2u s ASP 132 Ca 0.24 2.88 0.00 0.00 0.18 0.00 0.00 52.55 55.86 1d2u s ASP 132 Cb -0.01 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.35 1d2u s ASP 132 CO 0.15 -1.02 -0.05 -0.22 1.18 0.00 0.00 175.17 175.21 1d2u s LEU 133 N -2.50 1.17 -0.03 1.23 2.96 -0.46 -0.83 118.68 120.22 1d2u s LEU 133 Ca 0.58 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1d2u s LEU 133 Cb -0.43 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1d2u s LEU 133 CO 0.56 -0.09 0.03 -0.31 -1.32 0.00 0.00 176.35 175.23 1d2u s TYR 134 N 1.26 3.19 -0.01 5.38 2.02 0.19 -0.36 117.35 129.02 1d2u s TYR 134 Ca -0.05 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1d2u s TYR 134 Cb -0.14 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1d2u s TYR 134 CO -0.02 0.51 -0.01 0.00 -1.57 0.00 0.00 175.55 174.46 1d2u s ALA 135 N -1.07 0.21 -0.18 3.71 0.00 -0.26 -0.78 121.76 123.39 1d2u s ALA 135 Ca 0.19 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 1d2u s ALA 135 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1d2u s ALA 135 CO 0.09 -0.01 0.40 0.08 0.00 0.00 0.00 175.76 176.31 1d2u s VAL 136 N 0.45 5.22 0.17 0.00 1.01 -0.18 -1.08 120.40 125.99 1d2u s VAL 136 Ca -0.04 0.73 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1d2u s VAL 136 Cb -0.07 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1d2u s VAL 136 CO -0.01 0.29 -0.11 -0.76 0.00 0.00 0.00 175.10 174.51 1d2u s LEU 137 N 1.00 2.91 0.02 3.92 1.43 0.23 -0.84 118.68 127.34 1d2u s LEU 137 Ca 0.20 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1d2u s LEU 137 Cb -0.14 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1d2u s LEU 137 CO 0.08 0.11 0.11 0.21 0.23 0.00 0.00 176.35 177.09 1d2u s ASN 138 N -2.74 0.09 0.49 2.29 3.84 -0.31 -1.85 114.94 116.75 1d2u s ASN 138 Ca 0.24 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 53.25 1d2u s ASN 138 Cb -0.09 0.20 1.11 0.00 -0.55 0.00 0.00 41.25 41.92 1d2u s ASN 138 CO 0.14 -0.41 1.89 0.03 -2.79 0.00 0.00 177.10 175.97 1d2u h ARG 139 N 4.12 0.00 -4.93 0.43 2.47 -1.38 -0.34 114.38 114.74 1d2u h ARG 139 Ca -0.31 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1d2u h ARG 139 Cb 1.19 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.24 1d2u h ARG 139 CO 0.44 0.11 -0.69 1.21 0.56 0.00 0.00 179.97 181.60 1d2u s ASN 140 N -5.97 4.62 0.60 7.04 3.84 -1.26 -4.83 114.94 118.99 1d2u s ASN 140 Ca 0.01 -0.49 0.31 0.00 0.21 0.00 0.00 52.86 52.90 1d2u s ASN 140 Cb 0.09 -1.79 1.81 0.00 -0.55 0.00 0.00 41.25 40.81 1d2u s ASN 140 CO 0.59 -0.07 2.19 0.07 -2.79 0.00 0.00 177.10 177.09 1d2u h LYS 141 N 8.15 0.00 -0.35 0.43 2.10 -1.94 -2.48 116.57 122.49 1d2u h LYS 141 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1d2u h LYS 141 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1d2u h LYS 141 CO 0.60 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 1d2u n ASP 142 N -3.73 3.35 -4.71 7.07 8.00 -1.26 -4.91 116.55 120.37 1d2u n ASP 142 Ca -0.01 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1d2u n ASP 142 Cb 0.19 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1d2u n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d2u s ALA 143 N -1.56 3.48 0.44 2.24 0.00 -0.94 -5.01 121.76 120.42 1d2u s ALA 143 Ca 0.38 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 1d2u s ALA 143 Cb 0.22 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1d2u s ALA 143 CO 0.31 -0.53 1.08 0.00 0.00 0.00 0.00 175.76 176.63 1d2u s ALA 144 N 1.14 2.98 0.11 0.00 0.00 -1.26 -4.95 121.76 119.79 1d2u s ALA 144 Ca 0.61 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1d2u s ALA 144 Cb -0.33 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1d2u s ALA 144 CO 0.29 -0.39 1.62 0.00 0.00 0.00 0.00 175.76 177.28 1d2u s ALA 145 N -1.70 3.72 0.79 0.00 0.00 -1.26 -4.99 121.76 118.32 1d2u s ALA 145 Ca 0.62 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.78 1d2u s ALA 145 Cb -0.23 -3.67 0.12 0.00 0.00 0.00 0.00 23.12 19.35 1d2u s ALA 145 CO 0.28 -0.97 1.11 0.20 0.00 0.00 0.00 175.76 176.37 1d2u s GLY 146 N 1.90 1.73 0.40 0.00 0.00 -1.26 -4.87 107.32 105.23 1d2u s GLY 146 Ca 0.73 -1.22 0.11 0.00 0.00 0.00 0.00 44.72 44.34 1d2u s GLY 146 CO 0.32 -0.66 1.94 -0.55 0.00 0.00 0.00 173.10 174.15 1d2u h ASP 147 N -0.90 0.17 0.00 1.64 3.32 -1.98 -1.55 116.42 117.11 1d2u h ASP 147 Ca -0.42 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1d2u h ASP 147 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1d2u h ASP 147 CO 0.48 0.33 -0.00 0.11 -1.72 0.00 0.00 179.24 178.44 1d2u h LYS 148 N 0.17 -0.00 -0.13 3.56 1.57 -1.99 0.01 116.57 119.75 1d2u h LYS 148 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1d2u h LYS 148 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1d2u h LYS 148 CO 0.02 0.20 -0.59 -0.24 -0.57 0.00 0.00 179.45 178.28 1d2u h VAL 149 N -0.21 1.35 -0.29 0.50 3.04 -1.93 -2.21 116.25 116.50 1d2u h VAL 149 Ca -0.00 -1.89 -0.08 0.00 -1.01 0.00 0.00 66.70 63.72 1d2u h VAL 149 Cb 0.21 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 1d2u h VAL 149 CO 0.00 0.58 -0.15 0.11 -1.01 0.00 0.00 177.57 177.10 1d2u h LYS 150 N 0.32 0.50 -0.63 4.17 1.57 -1.20 -1.01 116.57 120.29 1d2u h LYS 150 Ca -0.00 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1d2u h LYS 150 Cb 1.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1d2u h LYS 150 CO 0.10 0.64 0.06 0.77 -0.57 0.00 0.00 179.45 180.45 1d2u h SER 151 N 0.46 1.03 -0.58 0.86 0.02 -0.79 -1.35 113.55 113.20 1d2u h SER 151 Ca 0.08 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1d2u h SER 151 Cb 0.53 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1d2u h SER 151 CO 0.03 1.05 0.24 0.00 -1.14 0.00 0.00 176.83 177.01 1d2u h ALA 152 N 1.06 1.27 -0.23 3.77 0.00 -0.75 0.21 119.26 124.60 1d2u h ALA 152 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1d2u h ALA 152 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1d2u h ALA 152 CO 0.02 0.54 0.15 0.28 0.00 0.00 0.00 179.25 180.23 1d2u h VAL 153 N 0.88 1.06 -0.77 0.00 2.07 -0.65 -2.05 116.25 116.80 1d2u h VAL 153 Ca 0.21 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1d2u h VAL 153 Cb 0.18 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1d2u h VAL 153 CO -0.02 0.06 0.39 -1.28 0.02 0.00 0.00 177.57 176.74 1d2u h SER 154 N 0.30 0.99 0.40 0.57 0.87 -0.62 -2.25 113.55 113.81 1d2u h SER 154 Ca 0.08 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1d2u h SER 154 Cb -0.03 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1d2u h SER 154 CO -0.02 0.83 -0.07 0.00 -0.53 0.00 0.00 176.83 177.05 1d2u h ALA 155 N 1.20 1.18 -0.07 6.23 0.00 -0.17 0.28 119.26 127.91 1d2u h ALA 155 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d2u h ALA 155 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d2u h ALA 155 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1d2u n ALA 156 N -2.21 2.58 -3.33 0.00 0.00 -0.81 -4.90 120.51 111.84 1d2u n ALA 156 Ca -0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 1d2u n ALA 156 Cb 0.21 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.51 1d2u n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1d2u n THR 157 N -0.26 -2.52 -4.45 0.00 -1.04 0.09 -5.03 114.28 101.06 1d2u n THR 157 Ca 0.16 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.90 1d2u n THR 157 Cb 0.20 -3.52 -0.10 0.00 -1.82 0.00 0.00 70.33 65.09 1d2u n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1d2u s LEU 158 N -5.83 2.57 -0.35 -4.42 1.43 -0.89 -5.04 118.68 106.15 1d2u s LEU 158 Ca 0.41 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1d2u s LEU 158 Cb -0.18 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1d2u s LEU 158 CO 0.56 0.03 0.17 -0.70 0.23 0.00 0.00 176.35 176.64 1d2u s GLU 159 N -3.41 2.92 0.50 1.70 2.56 -1.26 -3.85 118.70 117.85 1d2u s GLU 159 Ca 0.28 -1.00 0.14 0.00 0.00 0.00 0.00 54.97 54.39 1d2u s GLU 159 Cb -0.05 -3.62 1.19 0.00 2.00 0.00 0.00 34.13 33.65 1d2u s GLU 159 CO 0.14 -0.61 2.13 0.35 -0.56 0.00 0.00 175.26 176.70 1d2u h PHE 160 N 8.36 0.08 0.00 5.30 3.57 -1.91 -0.98 116.94 131.37 1d2u h PHE 160 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1d2u h PHE 160 Cb 1.11 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1d2u h PHE 160 CO 0.59 0.06 0.00 0.66 -2.23 0.00 0.00 178.31 177.39 1d2u h SER 161 N 0.09 0.00 1.15 0.41 4.64 -2.01 -0.93 113.55 116.89 1d2u h SER 161 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1d2u h SER 161 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1d2u h SER 161 CO -0.00 0.00 -0.47 0.11 -0.87 0.00 0.00 176.83 175.60 1d2u h LYS 162 N 0.00 0.00 -7.01 4.77 1.79 -1.59 -3.46 116.57 111.07 1d2u h LYS 162 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1d2u h LYS 162 Cb 0.03 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 30.77 1d2u h LYS 162 CO 0.00 0.00 0.55 -0.06 -1.08 0.00 0.00 179.45 178.86 1d2u s PHE 163 N -3.18 2.67 -0.19 -1.35 0.40 -0.36 -4.91 117.98 111.06 1d2u s PHE 163 Ca 0.06 1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 1d2u s PHE 163 Cb 0.12 -3.57 -0.05 0.00 0.51 0.00 0.00 43.02 40.02 1d2u s PHE 163 CO 0.70 -2.08 0.19 0.42 0.70 0.00 0.00 175.22 175.15 1d2u s ILE 164 N -1.41 5.37 0.38 0.64 -1.09 0.53 -4.82 121.20 120.80 1d2u s ILE 164 Ca 0.65 0.32 -0.21 0.00 -2.23 0.00 0.00 60.65 59.19 1d2u s ILE 164 Cb -0.34 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1d2u s ILE 164 CO 0.42 0.42 0.90 -0.55 -1.23 0.00 0.00 174.94 174.89 1d2u s SER 165 N 0.40 6.97 0.00 3.58 0.15 -1.26 -0.97 113.70 122.57 1d2u s SER 165 Ca 0.11 1.62 0.18 0.00 0.70 0.00 0.00 55.95 58.56 1d2u s SER 165 Cb -0.12 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1d2u s SER 165 CO 0.00 -0.27 0.94 0.35 1.20 0.00 0.00 173.24 175.47 1d2u n THR 166 N -0.34 0.00 0.28 6.45 -2.24 -0.32 -4.64 114.28 113.47 1d2u n THR 166 Ca 0.05 -0.36 0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1d2u n THR 166 Cb 0.53 1.24 0.85 0.00 -2.10 0.00 0.00 70.33 70.86 1d2u n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1d2u h LYS 167 N 2.31 0.00 -0.57 -0.78 2.10 -1.91 -2.89 116.57 114.83 1d2u h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1d2u h LYS 167 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1d2u h LYS 167 CO 0.00 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 177.90 1d2u n GLU 168 N -3.58 2.39 -0.35 0.07 4.71 -1.26 -4.30 120.64 118.32 1d2u n GLU 168 Ca -0.02 -1.46 0.10 0.00 -0.01 0.00 0.00 57.16 55.77 1d2u n GLU 168 Cb 0.17 -1.57 0.29 0.00 -1.01 0.00 0.00 31.44 29.32 1d2u n GLU 168 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1d2u n ASN 169 N 0.46 3.57 -2.52 1.62 5.03 -1.09 -4.94 115.26 117.39 1d2u n ASN 169 Ca 0.13 -2.03 -0.18 0.00 0.87 0.00 0.00 54.58 53.37 1d2u n ASN 169 Cb 0.51 -0.45 -0.00 0.00 -1.02 0.00 0.00 39.78 38.82 1d2u n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1d2u n ASN 170 N 1.39 -5.24 -4.75 6.41 4.13 -1.26 -4.89 115.26 111.05 1d2u n ASN 170 Ca 0.22 0.01 -0.41 0.00 1.68 0.00 0.00 54.58 56.08 1d2u n ASN 170 Cb 0.57 -4.37 -0.03 0.00 -1.54 0.00 0.00 39.78 34.41 1d2u n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d2u s ALA 172 N -0.41 1.53 0.07 0.00 0.00 -1.26 -5.13 121.76 116.55 1d2u s ALA 172 Ca 0.51 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1d2u s ALA 172 Cb -0.34 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1d2u s ALA 172 CO 0.39 0.29 -0.19 0.71 0.00 0.00 0.00 175.76 176.97 1d2u s TYR 173 N -0.04 2.54 -1.00 0.00 2.02 -1.26 -5.06 117.35 114.55 1d2u s TYR 173 Ca -0.02 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1d2u s TYR 173 Cb -0.11 -1.42 0.24 0.00 -0.40 0.00 0.00 41.96 40.28 1d2u s TYR 173 CO 0.02 0.29 0.99 0.34 -1.57 0.00 0.00 175.55 175.62 1d2u s ASP 174 N -1.66 7.06 0.40 2.29 -1.08 -1.26 -4.88 116.67 117.55 1d2u s ASP 174 Ca 0.15 -3.14 0.06 0.00 -0.52 0.00 0.00 52.55 49.10 1d2u s ASP 174 Cb -0.10 -2.23 0.81 0.00 -1.46 0.00 0.00 42.92 39.94 1d2u s ASP 174 CO 0.07 -0.45 2.04 0.78 0.52 0.00 0.00 175.17 178.12 1d2u h ASN 175 N 7.22 0.54 -0.53 -0.34 -0.26 -2.00 -2.14 115.58 118.08 1d2u h ASN 175 Ca 0.16 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.83 1d2u h ASN 175 Cb 0.95 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1d2u h ASN 175 CO 0.92 0.38 0.13 0.44 -1.06 0.00 0.00 177.43 178.24 1d2u h ASP 176 N 0.63 0.80 -0.51 5.81 3.32 -2.00 -1.58 116.42 122.89 1d2u h ASP 176 Ca 0.18 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1d2u h ASP 176 Cb -0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1d2u h ASP 176 CO -0.04 0.83 0.16 0.28 -1.72 0.00 0.00 179.24 178.74 1d2u h SER 177 N 0.74 0.74 -0.64 6.45 0.02 -1.76 -1.30 113.55 117.80 1d2u h SER 177 Ca 0.17 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1d2u h SER 177 Cb 0.34 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1d2u h SER 177 CO 0.00 0.75 0.37 -0.07 -1.14 0.00 0.00 176.83 176.74 1d2u h LEU 178 N 0.69 0.56 -0.48 5.07 3.38 -1.15 -0.73 115.31 122.66 1d2u h LEU 178 Ca 0.16 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1d2u h LEU 178 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1d2u h LEU 178 CO -0.00 0.37 -0.09 0.11 0.09 0.00 0.00 178.44 178.92 1d2u h LYS 179 N 0.69 0.90 -0.10 1.13 1.57 -1.09 -3.07 116.57 116.61 1d2u h LYS 179 Ca 0.28 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1d2u h LYS 179 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1d2u h LYS 179 CO -0.15 0.98 -0.30 0.66 -0.57 0.00 0.00 179.45 180.07 1d2u h SER 180 N 0.75 0.18 0.14 0.86 4.64 -0.89 -2.60 113.55 116.63 1d2u h SER 180 Ca 0.12 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1d2u h SER 180 Cb 0.63 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1d2u h SER 180 CO 0.04 0.48 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.37 1d2u h LEU 181 N 0.16 0.00 -2.26 5.97 3.38 -1.04 -2.16 115.31 119.37 1d2u h LEU 181 Ca 0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1d2u h LEU 181 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1d2u h LEU 181 CO 0.04 0.04 0.12 -0.07 0.09 0.00 0.00 178.44 178.67 1d2u h LEU 182 N 0.00 0.00 -0.69 1.67 3.38 -1.49 -1.49 115.31 116.69 1d2u h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d2u h LEU 182 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1d2u h LEU 182 CO 0.01 0.00 -0.09 0.35 0.09 0.00 0.00 178.44 178.79 1d2u n THR 183 N -3.94 0.00 1.28 0.22 -2.24 -0.81 -4.71 114.28 104.08 1d2u n THR 183 Ca 0.00 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1d2u n THR 183 Cb 0.23 0.36 0.33 0.00 -2.10 0.00 0.00 70.33 69.15 1d2u n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79