#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir s SER 2 N 0.00 2.78 -0.08 1.61 0.15 -1.26 -5.05 113.70 111.85 2dir s SER 2 Ca 0.00 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.23 2dir s SER 2 Cb 0.00 -0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 2dir s SER 2 CO 0.00 0.22 -0.20 -0.55 1.20 0.00 0.00 173.24 173.91 2dir s SER 3 N -0.11 3.49 0.00 5.45 0.15 -1.26 -4.87 113.70 116.55 2dir s SER 3 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2dir s SER 3 Cb -0.13 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2dir s SER 3 CO 0.03 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2dir n GLY 4 N 3.00 0.17 2.81 9.45 0.00 -1.26 -5.13 105.19 114.22 2dir n GLY 4 Ca -0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 2dir n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dir s SER 5 N 0.00 0.25 -0.09 1.61 0.01 -1.26 -5.14 113.70 109.07 2dir s SER 5 Ca 0.00 -0.00 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 2dir s SER 5 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2dir s SER 5 CO 0.00 -0.10 0.47 -0.94 0.41 0.00 0.00 173.24 173.09 2dir s SER 6 N 0.91 6.72 0.00 2.44 1.04 -1.26 -4.99 113.70 118.56 2dir s SER 6 Ca -0.08 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2dir s SER 6 Cb -0.12 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2dir s SER 6 CO -0.02 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2dir n GLY 7 N 3.03 -0.97 3.60 7.32 0.00 -1.26 -5.17 105.19 111.74 2dir n GLY 7 Ca -0.08 0.84 -0.02 0.00 0.00 0.00 0.00 46.02 46.76 2dir n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dir s LYS 8 N 0.00 0.44 0.19 1.61 2.36 -1.26 -5.05 119.74 118.02 2dir s LYS 8 Ca 0.00 0.84 -0.20 0.00 -2.55 0.00 0.00 55.97 54.07 2dir s LYS 8 Cb 0.00 0.23 0.13 0.00 -1.05 0.00 0.00 37.83 37.13 2dir s LYS 8 CO 0.00 -0.11 1.39 0.00 1.55 0.00 0.00 175.35 178.18 2dir n ALA 9 N 4.21 -0.26 -0.29 3.13 0.00 -1.26 -0.29 120.51 125.75 2dir n ALA 9 Ca -0.16 0.85 -0.02 0.00 0.00 0.00 0.00 53.44 54.11 2dir n ALA 9 Cb 0.56 -0.31 0.01 0.00 0.00 0.00 0.00 19.45 19.72 2dir n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dir n PHE 10 N -5.25 -0.03 -0.03 0.00 -0.00 -1.26 -0.29 117.46 110.60 2dir n PHE 10 Ca 0.07 0.92 -0.13 0.00 -0.00 0.00 0.00 57.45 58.30 2dir n PHE 10 Cb 0.32 -0.74 -0.11 0.00 -0.00 0.00 0.00 39.48 38.95 2dir n PHE 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dir h LEU 11 N 0.00 0.01 -0.47 -2.13 3.38 -1.07 -2.71 115.31 112.31 2dir h LEU 11 Ca 0.24 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2dir h LEU 11 Cb 0.42 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2dir h LEU 11 CO -0.73 0.61 -0.28 -0.62 0.09 0.00 0.00 178.44 177.51 2dir n GLU 12 N -4.79 -0.21 0.13 1.13 1.02 0.60 -0.62 120.64 117.90 2dir n GLU 12 Ca -0.09 0.95 -0.14 0.00 -0.02 0.00 0.00 57.16 57.87 2dir n GLU 12 Cb 0.31 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2dir n GLU 12 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2dir h ASP 13 N 0.00 -0.25 -1.75 1.62 2.03 -1.43 -2.69 116.42 113.94 2dir h ASP 13 Ca 0.08 -0.12 0.52 0.00 -0.73 0.00 0.00 57.03 56.78 2dir h ASP 13 Cb 0.19 0.06 -0.08 0.00 -0.83 0.00 0.00 39.33 38.68 2dir h ASP 13 CO -0.45 -0.03 1.25 0.80 -1.03 0.00 0.00 179.24 179.78 2dir n MET 14 N -5.14 -0.01 0.00 4.15 1.56 0.21 -0.67 117.12 117.23 2dir n MET 14 Ca -0.09 1.03 -0.01 0.00 -0.27 0.00 0.00 57.70 58.36 2dir n MET 14 Cb 0.20 -2.32 -0.00 0.00 2.15 0.00 0.00 33.22 33.24 2dir n MET 14 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2dir h LYS 15 N 0.00 -0.04 -1.23 2.12 1.57 -0.77 -0.67 116.57 117.55 2dir h LYS 15 Ca 0.87 0.00 0.36 0.00 -1.87 0.00 0.00 60.65 60.01 2dir h LYS 15 Cb 3.38 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 35.65 2dir h LYS 15 CO -0.08 -0.03 0.99 1.57 -0.57 0.00 0.00 179.45 181.33 2dir h LYS 16 N -0.33 0.00 0.00 3.15 2.10 -0.93 0.20 116.57 120.77 2dir h LYS 16 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dir h LYS 16 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2dir h LYS 16 CO 0.01 0.00 -0.05 -0.92 -2.00 0.00 0.00 179.45 176.48 2dir h TYR 17 N 0.00 0.00 -1.30 0.07 3.20 -0.99 -3.04 116.97 114.92 2dir h TYR 17 Ca 0.58 0.00 0.38 0.00 3.14 0.00 0.00 58.73 62.83 2dir h TYR 17 Cb 2.55 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 40.77 2dir h TYR 17 CO 0.00 0.00 1.02 0.00 -1.64 0.00 0.00 178.16 177.54 2dir h ALA 18 N -1.77 3.20 -0.24 1.82 0.00 -0.59 0.38 119.26 122.06 2dir h ALA 18 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dir h ALA 18 Cb 0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dir h ALA 18 CO 0.00 -1.69 0.00 -1.91 0.00 0.00 0.00 179.25 175.65 2dir n GLU 19 N -3.92 0.00 0.12 0.00 4.07 0.67 -0.64 120.64 120.94 2dir n GLU 19 Ca 0.28 0.46 0.07 0.00 -0.06 0.00 0.00 57.16 57.91 2dir n GLU 19 Cb 1.44 -1.08 0.35 0.00 -0.06 0.00 0.00 31.44 32.09 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2dir n THR 20 N -1.88 1.10 -0.06 6.31 5.66 -0.86 0.42 114.28 124.97 2dir n THR 20 Ca 0.00 0.67 -0.21 0.00 -3.05 0.00 0.00 64.05 61.46 2dir n THR 20 Cb 0.00 -1.67 -0.13 0.00 -1.55 0.00 0.00 70.33 66.98 2dir n THR 20 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2dir n PHE 21 N -1.96 0.82 1.47 1.09 7.35 0.13 -4.20 117.46 122.17 2dir n PHE 21 Ca -0.01 0.21 0.14 0.00 -0.76 0.00 0.00 57.45 57.03 2dir n PHE 21 Cb 0.13 -1.10 0.56 0.00 0.35 0.00 0.00 39.48 39.42 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.64 0.92 -0.22 -2.13 4.77 0.19 -4.30 117.00 112.58 2dir n LEU 22 Ca -0.37 -0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 2dir n LEU 22 Cb 0.96 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.92 2dir n LEU 22 CO 0.32 0.16 0.54 -0.33 -1.33 0.00 0.00 177.39 176.75 2dir h GLU 23 N 1.30 -0.22 0.00 3.23 5.08 -0.20 1.50 114.58 125.26 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dir h GLU 23 CO 0.00 -0.15 0.00 -0.35 -1.00 0.00 0.00 179.01 177.51 2dir n PRO 24 N -5.38 0.16 -0.01 2.33 -0.04 -1.26 0.33 135.00 131.13 2dir n PRO 24 Ca 0.01 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2dir n PRO 24 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.34 0.00 0.00 0.54 8.01 0.27 -4.59 117.44 120.32 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.03 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.11 0.00 -2.54 -5.99 3.72 0.44 -4.43 117.46 106.56 2dir n PHE 26 Ca -0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 2dir n PHE 26 Cb 0.47 0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.62 4.59 0.87 -1.08 2.20 1.02 -3.95 119.74 121.77 2dir s LYS 27 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 2dir s LYS 27 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 2dir s LYS 27 CO 0.00 0.06 -0.47 0.00 -0.36 0.00 0.00 175.35 174.58 2dir n ALA 28 N 2.59 -4.49 0.77 3.13 0.00 -1.26 -2.29 120.51 118.97 2dir n ALA 28 Ca 0.03 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.03 2dir n ALA 28 Cb 0.47 -1.30 0.40 0.00 0.00 0.00 0.00 19.45 19.01 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.71 0.29 -2.75 0.00 -0.04 -1.26 -4.83 135.00 128.12 2dir n PRO 29 Ca 0.02 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2dir n PRO 29 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.41 6.85 0.05 3.54 0.01 -0.97 -5.05 114.94 116.95 2dir s ASN 30 Ca 0.17 1.77 -0.28 0.00 -0.71 0.00 0.00 52.86 53.80 2dir s ASN 30 Cb 0.10 -2.55 0.10 0.00 0.41 0.00 0.00 41.25 39.31 2dir s ASN 30 CO 0.21 -0.42 1.17 -1.59 -1.51 0.00 0.00 177.10 174.96 2dir s LYS 31 N -3.05 0.70 0.00 -0.60 -2.85 -1.25 -3.79 119.74 108.90 2dir s LYS 31 Ca 0.62 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 2dir s LYS 31 Cb -0.12 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2dir s LYS 31 CO 0.16 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.70 2dir n GLY 32 N -0.49 0.69 3.91 0.59 0.00 -1.26 -4.98 105.19 103.65 2dir n GLY 32 Ca -0.08 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.29 2.86 0.23 2.61 -4.23 -1.26 -1.31 115.64 111.25 2dir s THR 33 Ca 0.00 -1.24 -0.22 0.00 -1.18 0.00 0.00 61.69 59.05 2dir s THR 33 Cb 0.00 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.87 2dir s THR 33 CO 0.00 -0.02 0.87 0.72 -0.54 0.00 0.00 174.62 175.66 2dir s PHE 34 N -2.42 -0.09 -0.15 3.99 -0.71 -1.23 -1.83 117.98 115.54 2dir s PHE 34 Ca 0.49 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 56.01 2dir s PHE 34 Cb -0.05 0.70 0.06 0.00 -1.21 0.00 0.00 43.02 42.51 2dir s PHE 34 CO 0.29 -1.07 0.09 1.14 -1.34 0.00 0.00 175.22 174.33 2dir s GLN 35 N -3.20 0.04 0.13 1.99 -2.07 -0.40 0.17 119.66 116.32 2dir s GLN 35 Ca 0.14 -0.02 -0.25 0.00 -1.82 0.00 0.00 55.36 53.41 2dir s GLN 35 Cb -0.03 -1.65 -0.07 0.00 -1.09 0.00 0.00 33.01 30.16 2dir s GLN 35 CO 0.05 -0.62 0.77 0.42 -1.32 0.00 0.00 175.29 174.59 2dir s ILE 36 N 2.14 4.48 -0.04 3.63 1.01 -1.26 -2.16 121.20 129.00 2dir s ILE 36 Ca 0.02 1.68 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 2dir s ILE 36 Cb -0.15 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2dir s ILE 36 CO -0.08 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 174.65 2dir s VAL 37 N -0.82 0.20 -0.51 2.92 1.01 -1.00 -4.99 120.40 117.21 2dir s VAL 37 Ca 0.36 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 2dir s VAL 37 Cb -0.22 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2dir s VAL 37 CO 0.25 0.19 0.76 -0.47 0.00 0.00 0.00 175.10 175.83 2dir s TYR 38 N 1.53 2.95 -0.33 5.22 5.04 -1.26 -1.43 117.35 129.07 2dir s TYR 38 Ca -0.03 -0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 2dir s TYR 38 Cb -0.13 -3.72 0.03 0.00 0.35 0.00 0.00 41.96 38.49 2dir s TYR 38 CO -0.03 -1.12 0.10 0.15 -1.34 0.00 0.00 175.55 173.31 2dir s LYS 39 N 3.22 2.76 0.11 4.97 1.02 -0.71 -4.99 119.74 126.12 2dir s LYS 39 Ca 0.24 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 55.16 2dir s LYS 39 Cb -0.15 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2dir s LYS 39 CO 0.17 -0.61 -0.06 -1.54 -0.92 0.00 0.00 175.35 172.39 2dir s SER 40 N 1.44 1.22 0.75 2.83 1.04 -1.26 -2.35 113.70 117.36 2dir s SER 40 Ca -0.00 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 2dir s SER 40 Cb -0.19 0.09 0.14 0.00 0.10 0.00 0.00 66.02 66.16 2dir s SER 40 CO 0.03 -0.47 1.04 -0.13 0.98 0.00 0.00 173.24 174.69 2dir s ARG 41 N -3.84 1.51 0.31 4.02 1.81 -1.26 -4.90 118.95 116.61 2dir s ARG 41 Ca 0.14 -1.13 0.08 0.00 -1.72 0.00 0.00 55.73 53.10 2dir s ARG 41 Cb 0.05 -2.29 0.91 0.00 -0.45 0.00 0.00 34.95 33.17 2dir s ARG 41 CO -0.03 -1.59 1.48 0.09 -0.68 0.00 0.00 175.30 174.58 2dir n ASN 42 N -2.94 0.04 -0.32 0.23 3.02 -1.26 -0.69 115.26 113.34 2dir n ASN 42 Ca 0.16 1.59 -0.06 0.00 -0.03 0.00 0.00 54.58 56.24 2dir n ASN 42 Cb 0.61 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 2dir n ASN 42 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dir n ASN 43 N -5.31 -0.72 -4.40 6.41 4.13 -1.26 -4.71 115.26 109.41 2dir n ASN 43 Ca 0.27 1.38 -0.40 0.00 1.68 0.00 0.00 54.58 57.51 2dir n ASN 43 Cb 0.89 -0.22 -0.07 0.00 -1.54 0.00 0.00 39.78 38.84 2dir n ASN 43 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2dir n SER 44 N -5.04 -1.90 0.23 6.41 3.41 0.13 -4.81 113.62 112.06 2dir n SER 44 Ca 0.04 -1.12 -0.15 0.00 -0.26 0.00 0.00 58.87 57.37 2dir n SER 44 Cb 0.24 -1.66 -0.08 0.00 -0.26 0.00 0.00 64.21 62.46 2dir n SER 44 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2dir h HIS 45 N -0.86 -0.66 -3.75 7.33 2.07 -1.87 -3.43 115.15 113.98 2dir h HIS 45 Ca -0.56 -0.01 -0.49 0.00 -2.85 0.00 0.00 60.37 56.46 2dir h HIS 45 Cb 1.37 0.24 -0.01 0.00 2.57 0.00 0.00 27.41 31.58 2dir h HIS 45 CO 0.72 -0.38 0.13 0.54 -3.07 0.00 0.00 177.93 175.87 2dir s VAL 46 N -6.08 4.72 0.86 6.12 0.11 -1.26 -4.39 120.40 120.48 2dir s VAL 46 Ca -0.16 0.79 -0.14 0.00 -2.93 0.00 0.00 61.98 59.54 2dir s VAL 46 Cb 0.05 -3.69 0.22 0.00 -1.53 0.00 0.00 36.38 31.43 2dir s VAL 46 CO 0.64 -0.42 0.49 -3.20 -3.33 0.00 0.00 175.10 169.28 2dir n ASN 47 N -0.99 -3.17 0.00 3.54 2.85 -1.26 -4.90 115.26 111.32 2dir n ASN 47 Ca 0.03 -0.49 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 2dir n ASN 47 Cb 0.54 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2dir n ASN 47 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2dir n ARG 48 N -3.80 2.29 0.13 1.20 0.63 -1.26 -4.71 116.66 111.13 2dir n ARG 48 Ca 0.08 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.96 2dir n ARG 48 Cb 0.34 -0.95 -0.02 0.00 0.45 0.00 0.00 32.46 32.27 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dir h GLU 49 N 0.00 -0.32 -0.87 -0.14 4.39 -1.98 -2.37 114.58 113.28 2dir h GLU 49 Ca 0.00 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.89 2dir h GLU 49 Cb 0.90 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 29.47 2dir h GLU 49 CO 0.00 -0.21 -0.24 -0.85 -1.16 0.00 0.00 179.01 176.55 2dir n GLU 50 N -3.21 -0.10 0.16 2.33 0.28 -1.26 0.97 120.64 119.82 2dir n GLU 50 Ca -0.04 1.36 -0.14 0.00 -0.16 0.00 0.00 57.16 58.18 2dir n GLU 50 Cb 0.13 -2.02 -0.07 0.00 1.43 0.00 0.00 31.44 30.91 2dir n GLU 50 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2dir h VAL 51 N 0.00 0.46 0.37 3.84 2.07 -1.84 0.66 116.25 121.82 2dir h VAL 51 Ca 0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 2dir h VAL 51 Cb 0.62 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dir h VAL 51 CO -0.89 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 176.92 2dir h ILE 52 N -0.52 0.00 -0.89 4.57 2.04 0.28 -0.03 117.51 122.96 2dir h ILE 52 Ca -0.00 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.85 2dir h ILE 52 Cb 0.49 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.41 2dir h ILE 52 CO -0.07 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 177.81 2dir h ARG 53 N -0.67 -0.02 0.46 2.37 2.47 0.54 -1.04 114.38 118.48 2dir h ARG 53 Ca -0.05 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2dir h ARG 53 Cb 0.39 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2dir h ARG 53 CO 0.08 -0.02 -0.22 1.49 0.56 0.00 0.00 179.97 181.87 2dir h GLU 54 N -0.03 -0.59 -0.86 0.04 4.57 -0.91 -1.12 114.58 115.68 2dir h GLU 54 Ca 0.37 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.93 2dir h GLU 54 Cb 0.62 0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 29.22 2dir h GLU 54 CO -0.91 -0.39 0.51 1.28 -1.18 0.00 0.00 179.01 178.31 2dir n LEU 55 N -3.81 0.22 -0.04 1.64 4.77 -0.03 0.13 117.00 119.89 2dir n LEU 55 Ca -0.08 1.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2dir n LEU 55 Cb 0.24 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 2dir n LEU 55 CO 0.18 -1.29 0.47 0.00 -1.33 0.00 0.00 177.39 175.42 2dir h ALA 56 N 1.38 -0.02 -1.07 -1.18 0.00 -1.03 -3.06 119.26 114.28 2dir h ALA 56 Ca 0.65 -0.37 0.31 0.00 0.00 0.00 0.00 54.91 55.49 2dir h ALA 56 Cb 1.86 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2dir h ALA 56 CO -0.49 -0.12 0.77 0.78 0.00 0.00 0.00 179.25 180.19 2dir h GLY 57 N -0.80 0.05 0.64 0.00 0.00 0.24 0.17 103.07 103.37 2dir h GLY 57 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2dir h GLY 57 CO 0.00 -0.01 -0.51 -2.22 0.00 0.00 0.00 176.54 173.81 2dir h ILE 58 N 0.02 1.49 -0.60 2.60 2.04 -1.33 -3.16 117.51 118.57 2dir h ILE 58 Ca 0.51 -2.13 0.11 0.00 1.00 0.00 0.00 64.86 64.35 2dir h ILE 58 Cb 2.02 2.79 -0.12 0.00 -0.74 0.00 0.00 36.82 40.78 2dir h ILE 58 CO -0.02 0.60 -0.32 0.58 0.00 0.00 0.00 178.15 179.00 2dir h VAL 59 N -0.31 0.18 -0.61 1.67 2.07 -0.86 0.33 116.25 118.73 2dir h VAL 59 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2dir h VAL 59 Cb 1.27 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2dir h VAL 59 CO 0.10 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.05 2dir h THR 61 N 0.71 0.38 0.14 0.00 2.02 -0.90 -2.33 112.91 112.93 2dir h THR 61 Ca 0.25 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2dir h THR 61 Cb 0.05 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2dir h THR 61 CO -0.11 0.06 -0.07 -0.07 0.37 0.00 0.00 175.52 175.70 2dir h LEU 62 N 0.35 -0.16 -7.86 2.58 3.38 -1.03 -3.44 115.31 109.13 2dir h LEU 62 Ca 0.69 0.01 -0.56 0.00 0.09 0.00 0.00 57.88 58.11 2dir h LEU 62 Cb 1.69 0.04 -0.36 0.00 0.09 0.00 0.00 40.66 42.12 2dir h LEU 62 CO -0.47 -0.09 -0.82 0.21 0.09 0.00 0.00 178.44 177.36 2dir s ASN 63 N -2.60 2.35 0.47 -0.43 3.84 -0.88 -4.69 114.94 113.00 2dir s ASN 63 Ca -0.03 -0.39 0.20 0.00 0.21 0.00 0.00 52.86 52.85 2dir s ASN 63 Cb 0.00 -1.00 1.20 0.00 -0.55 0.00 0.00 41.25 40.90 2dir s ASN 63 CO 0.08 -0.05 1.96 0.28 -2.79 0.00 0.00 177.10 176.58 2dir h SER 64 N 7.84 0.22 0.17 -4.21 0.02 -1.85 0.25 113.55 115.99 2dir h SER 64 Ca -0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2dir h SER 64 Cb 1.15 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dir h SER 64 CO 0.47 0.12 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.90 2dir h GLU 65 N 0.24 0.00 -6.69 3.45 4.39 -1.94 -3.42 114.58 110.60 2dir h GLU 65 Ca 0.31 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.49 2dir h GLU 65 Cb 0.90 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.59 2dir h GLU 65 CO -0.06 0.05 0.74 -0.80 -1.16 0.00 0.00 179.01 177.77 2dir s ASN 66 N -5.99 6.73 -0.26 1.42 0.01 0.89 -4.32 114.94 113.41 2dir s ASN 66 Ca -0.04 2.55 -0.01 0.00 -0.71 0.00 0.00 52.86 54.65 2dir s ASN 66 Cb 0.14 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.32 2dir s ASN 66 CO 0.54 -0.67 0.35 -0.54 -1.51 0.00 0.00 177.10 175.28 2dir s LYS 67 N 0.06 0.34 0.04 -0.60 1.02 -0.43 -4.69 119.74 115.48 2dir s LYS 67 Ca 0.61 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 2dir s LYS 67 Cb -0.40 -0.55 -0.09 0.00 -0.52 0.00 0.00 37.83 36.26 2dir s LYS 67 CO 0.39 -0.79 1.95 1.55 -0.92 0.00 0.00 175.35 177.54 2dir n VAL 68 N 5.35 0.71 -4.60 3.17 3.14 -1.26 -3.50 118.33 121.33 2dir n VAL 68 Ca -0.03 -0.13 -0.28 0.00 -2.96 0.00 0.00 64.34 60.95 2dir n VAL 68 Cb 0.49 -2.27 -0.14 0.00 -1.06 0.00 0.00 33.84 30.87 2dir n VAL 68 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2dir s ASP 69 N 4.22 2.91 0.00 6.55 -1.08 0.45 -4.78 116.67 124.93 2dir s ASP 69 Ca 0.88 -0.63 0.16 0.00 -0.52 0.00 0.00 52.55 52.44 2dir s ASP 69 Cb -0.46 -0.22 0.24 0.00 -1.46 0.00 0.00 42.92 41.02 2dir s ASP 69 CO 0.42 0.18 1.14 0.18 0.52 0.00 0.00 175.17 177.61 2dir n LEU 70 N 1.46 2.69 -0.03 -1.34 4.77 -1.26 -3.72 117.00 119.58 2dir n LEU 70 Ca -0.18 -1.38 -0.05 0.00 -0.03 0.00 0.00 56.01 54.38 2dir n LEU 70 Cb 0.53 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2dir n LEU 70 CO 0.23 0.57 -0.37 0.41 -1.33 0.00 0.00 177.39 176.90 2dir n THR 71 N 0.91 1.36 -2.73 -5.08 -1.04 -1.26 -4.82 114.28 101.60 2dir n THR 71 Ca 0.12 0.26 -0.29 0.00 -2.04 0.00 0.00 64.05 62.10 2dir n THR 71 Cb 0.43 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 2dir n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dir n ASN 72 N -4.00 4.91 -4.69 8.00 3.02 -1.26 -5.06 115.26 116.19 2dir n ASN 72 Ca -0.08 -3.71 -0.42 0.00 -0.03 0.00 0.00 54.58 50.35 2dir n ASN 72 Cb 0.28 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dir s PRO 73 N -3.59 4.26 0.08 3.52 0.04 -1.26 -4.80 135.00 133.25 2dir s PRO 73 Ca 0.48 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2dir s PRO 73 Cb 0.32 -3.61 -0.26 0.00 0.04 0.00 0.00 34.50 30.99 2dir s PRO 73 CO -0.17 -0.62 1.15 1.96 0.04 0.00 0.00 177.00 179.36 2dir h GLN 74 N 8.03 0.17 -4.20 4.56 4.20 -1.71 -3.45 115.11 122.71 2dir h GLN 74 Ca -0.38 -0.29 -0.49 0.00 0.06 0.00 0.00 58.65 57.55 2dir h GLN 74 Cb 1.18 0.11 -0.36 0.00 0.30 0.00 0.00 27.48 28.71 2dir h GLN 74 CO 0.91 1.11 -0.80 0.71 -0.67 0.00 0.00 178.83 180.10 2dir s TYR 75 N -2.67 1.26 -0.46 2.96 2.02 -0.76 -2.85 117.35 116.84 2dir s TYR 75 Ca -0.03 -0.53 -0.17 0.00 -0.37 0.00 0.00 57.07 55.97 2dir s TYR 75 Cb 0.08 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2dir s TYR 75 CO 0.86 -0.38 0.45 0.99 -1.57 0.00 0.00 175.55 175.89 2dir s THR 76 N 1.37 5.13 -0.54 -0.71 2.01 -0.45 -1.27 115.64 121.18 2dir s THR 76 Ca -0.02 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 2dir s THR 76 Cb -0.14 -4.12 0.12 0.00 0.01 0.00 0.00 72.50 68.37 2dir s THR 76 CO -0.04 -0.57 0.50 0.68 -0.69 0.00 0.00 174.62 174.51 2dir s VAL 77 N 1.97 5.19 -0.10 3.82 -7.23 -0.92 -2.08 120.40 121.05 2dir s VAL 77 Ca 0.08 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 2dir s VAL 77 Cb -0.21 -4.33 -0.04 0.00 0.56 0.00 0.00 36.38 32.36 2dir s VAL 77 CO 0.10 -0.86 0.08 0.68 -0.31 0.00 0.00 175.10 174.79 2dir s VAL 78 N 1.67 5.01 -0.38 1.32 -7.23 -0.83 -2.37 120.40 117.60 2dir s VAL 78 Ca 0.04 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2dir s VAL 78 Cb -0.29 -3.16 0.10 0.00 0.56 0.00 0.00 36.38 33.58 2dir s VAL 78 CO 0.04 0.60 0.16 0.68 -0.31 0.00 0.00 175.10 176.26 2dir s VAL 79 N -0.98 3.15 0.08 1.32 -7.23 -0.52 -1.29 120.40 114.93 2dir s VAL 79 Ca 0.15 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2dir s VAL 79 Cb -0.12 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 2dir s VAL 79 CO 0.04 -0.58 0.34 -0.70 -0.31 0.00 0.00 175.10 173.89 2dir s GLU 80 N 1.14 3.63 -0.32 4.82 2.56 0.86 -1.74 118.70 129.65 2dir s GLU 80 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.97 54.94 2dir s GLU 80 Cb -0.22 -2.97 0.03 0.00 2.00 0.00 0.00 34.13 32.98 2dir s GLU 80 CO -0.04 0.55 0.07 0.42 -0.56 0.00 0.00 175.26 175.71 2dir s ILE 81 N -1.48 3.65 -0.42 -3.70 -1.09 -0.99 -0.86 121.20 116.31 2dir s ILE 81 Ca 0.35 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.73 2dir s ILE 81 Cb -0.13 -3.02 0.12 0.00 -1.58 0.00 0.00 42.46 37.85 2dir s ILE 81 CO 0.21 -0.09 0.17 -0.63 -1.23 0.00 0.00 174.94 173.37 2dir s ILE 82 N 1.40 2.01 -0.65 2.92 1.09 -1.16 -4.64 121.20 122.17 2dir s ILE 82 Ca -0.01 -2.62 -0.01 0.00 -1.10 0.00 0.00 60.65 56.91 2dir s ILE 82 Cb -0.19 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.77 2dir s ILE 82 CO 0.02 -0.75 0.55 0.29 -0.10 0.00 0.00 174.94 174.95 2dir n LYS 83 N 3.76 -3.63 -3.49 2.79 5.02 -1.26 -3.41 118.16 117.94 2dir n LYS 83 Ca 0.05 0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 56.57 2dir n LYS 83 Cb 0.37 -4.27 0.08 0.00 -0.02 0.00 0.00 35.03 31.18 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dir n ALA 84 N -2.88 -1.42 -3.45 7.82 0.00 -1.26 -5.01 120.51 114.32 2dir n ALA 84 Ca -0.12 0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 2dir n ALA 84 Cb 0.58 -4.50 -0.16 0.00 0.00 0.00 0.00 19.45 15.36 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.31 1.07 -0.63 0.00 0.11 -1.22 -5.09 120.40 111.32 2dir s VAL 85 Ca 0.41 -0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.75 2dir s VAL 85 Cb -0.18 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2dir s VAL 85 CO 0.69 0.34 1.45 0.00 -3.33 0.00 0.00 175.10 174.25 2dir s LEU 88 N 1.63 4.02 -0.19 0.00 1.02 -1.26 -0.10 118.68 123.80 2dir s LEU 88 Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 2dir s LEU 88 Cb -0.22 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 43.93 2dir s LEU 88 CO 0.07 -0.12 -0.12 -0.44 0.02 0.00 0.00 176.35 175.77 2dir s SER 89 N 1.69 3.80 -0.22 2.29 0.01 -0.41 -4.97 113.70 115.88 2dir s SER 89 Ca 0.06 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 2dir s SER 89 Cb -0.16 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 2dir s SER 89 CO 0.08 0.02 0.07 -0.69 0.41 0.00 0.00 173.24 173.13 2dir s VAL 90 N 1.20 4.52 -0.16 3.43 1.01 -1.26 -1.96 120.40 127.18 2dir s VAL 90 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2dir s VAL 90 Cb -0.14 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2dir s VAL 90 CO -0.05 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.55 2dir s VAL 91 N 1.04 2.00 -0.46 2.92 1.01 -0.88 -4.94 120.40 121.08 2dir s VAL 91 Ca 0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2dir s VAL 91 Cb -0.14 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.49 2dir s VAL 91 CO 0.03 0.53 0.47 -0.75 0.00 0.00 0.00 175.10 175.38 2dir s LYS 92 N 1.15 3.05 -0.04 2.72 2.20 -1.26 -1.34 119.74 126.21 2dir s LYS 92 Ca 0.01 -1.04 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 2dir s LYS 92 Cb -0.14 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 32.11 2dir s LYS 92 CO -0.09 -1.02 -0.19 0.45 -0.36 0.00 0.00 175.35 174.14 2dir s SER 93 N 2.36 2.33 -0.01 1.43 0.15 -1.13 -5.06 113.70 113.76 2dir s SER 93 Ca 0.09 -0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.23 2dir s SER 93 Cb -0.21 -0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 63.47 2dir s SER 93 CO 0.10 0.18 0.37 -0.83 1.20 0.00 0.00 173.24 174.27 2dir s GLY 94 N -0.08 2.43 0.07 9.45 0.00 -1.26 -4.60 107.32 113.33 2dir s GLY 94 Ca -0.02 -0.28 0.17 0.00 0.00 0.00 0.00 44.72 44.59 2dir s GLY 94 CO 0.02 0.06 1.52 -1.55 0.00 0.00 0.00 173.10 173.15 2dir n PRO 95 N 1.80 0.05 -4.41 2.90 -0.04 -1.26 -4.74 135.00 129.29 2dir n PRO 95 Ca -0.15 0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 2dir n PRO 95 Cb 0.53 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 2dir n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dir s SER 96 N -3.33 3.91 -0.15 3.54 0.15 -1.26 -5.13 113.70 111.44 2dir s SER 96 Ca 0.06 -0.92 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 2dir s SER 96 Cb 0.09 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2dir s SER 96 CO 0.29 0.01 0.23 -0.55 1.20 0.00 0.00 173.24 174.42 2dir s SER 97 N -3.57 6.41 0.00 5.45 0.15 -1.26 -5.19 113.70 115.68 2dir s SER 97 Ca 0.31 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2dir s SER 97 Cb -0.05 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2dir s SER 97 CO 0.17 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.42