#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir n SER 2 N 0.00 0.92 -0.29 1.61 2.88 -1.26 -4.80 113.62 112.68 2dir n SER 2 Ca 0.00 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.79 2dir n SER 2 Cb 0.00 -1.06 0.26 0.00 -0.75 0.00 0.00 64.21 62.65 2dir n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dir h SER 3 N 3.92 -0.11 0.00 -3.46 4.64 -2.06 -3.46 113.55 113.01 2dir h SER 3 Ca -0.49 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2dir h SER 3 Cb 1.38 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2dir h SER 3 CO 0.73 -0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2dir n GLY 4 N -1.40 0.26 3.28 -0.77 0.00 -1.26 -5.14 105.19 100.16 2dir n GLY 4 Ca 0.20 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2dir n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dir s SER 5 N 0.00 -0.44 1.34 1.61 1.04 -1.26 -5.16 113.70 110.82 2dir s SER 5 Ca 0.00 0.95 -0.21 0.00 0.48 0.00 0.00 55.95 57.17 2dir s SER 5 Cb 0.00 0.98 0.33 0.00 0.10 0.00 0.00 66.02 67.43 2dir s SER 5 CO 0.00 -0.21 0.73 -1.54 0.98 0.00 0.00 173.24 173.21 2dir n SER 6 N 4.63 -3.87 0.00 7.02 3.41 -1.26 -4.84 113.62 118.71 2dir n SER 6 Ca -0.18 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 2dir n SER 6 Cb 0.53 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dir n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dir n GLY 7 N -4.47 0.10 3.57 5.00 0.00 -1.26 -5.03 105.19 103.10 2dir n GLY 7 Ca 0.12 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2dir n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dir s LYS 8 N 0.00 3.46 0.26 1.61 -0.14 -1.26 -4.83 119.74 118.83 2dir s LYS 8 Ca 0.00 -1.38 -0.09 0.00 -1.36 0.00 0.00 55.97 53.15 2dir s LYS 8 Cb 0.00 -5.38 0.41 0.00 -1.68 0.00 0.00 37.83 31.19 2dir s LYS 8 CO 0.00 -2.64 1.58 0.00 -0.76 0.00 0.00 175.35 173.53 2dir h ALA 9 N 9.08 0.63 -1.20 5.17 0.00 -1.98 0.46 119.26 131.42 2dir h ALA 9 Ca 0.29 0.34 0.43 0.00 0.00 0.00 0.00 54.91 55.97 2dir h ALA 9 Cb 0.94 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 19.24 2dir h ALA 9 CO 1.38 -0.41 0.75 0.34 0.00 0.00 0.00 179.25 181.31 2dir n PHE 10 N -5.55 0.76 -0.08 0.00 -0.00 -1.26 -0.90 117.46 110.44 2dir n PHE 10 Ca 0.14 0.77 -0.11 0.00 -0.00 0.00 0.00 57.45 58.25 2dir n PHE 10 Cb 0.47 -1.19 -0.06 0.00 -0.00 0.00 0.00 39.48 38.69 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 0.00 -0.74 -2.13 3.38 -0.50 -3.30 115.31 112.02 2dir h LEU 11 Ca 0.82 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.60 2dir h LEU 11 Cb 2.52 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 43.15 2dir h LEU 11 CO -0.50 1.01 -0.31 -0.62 0.09 0.00 0.00 178.44 178.11 2dir n GLU 12 N -4.57 -0.20 0.41 1.13 -0.58 -0.08 -0.32 120.64 116.44 2dir n GLU 12 Ca -0.16 1.13 -0.19 0.00 -0.42 0.00 0.00 57.16 57.52 2dir n GLU 12 Cb 0.40 -1.67 -0.10 0.00 -0.57 0.00 0.00 31.44 29.50 2dir n GLU 12 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2dir h ASP 13 N 0.00 -1.26 -1.57 1.62 3.58 -1.49 -1.95 116.42 115.35 2dir h ASP 13 Ca 0.23 0.07 0.47 0.00 0.42 0.00 0.00 57.03 58.23 2dir h ASP 13 Cb 0.42 0.37 -0.09 0.00 1.72 0.00 0.00 39.33 41.75 2dir h ASP 13 CO -0.72 -0.74 1.09 -0.03 -2.88 0.00 0.00 179.24 175.96 2dir h MET 14 N -1.17 0.04 0.34 0.28 4.05 -0.75 -0.02 114.93 117.71 2dir h MET 14 Ca -0.10 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2dir h MET 14 Cb 0.95 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2dir h MET 14 CO 0.08 0.03 -0.17 0.87 0.23 0.00 0.00 176.91 177.95 2dir h LYS 15 N 0.04 -0.45 -1.13 0.39 1.57 -0.37 0.14 116.57 116.77 2dir h LYS 15 Ca 0.82 0.03 0.31 0.00 -1.87 0.00 0.00 60.65 59.95 2dir h LYS 15 Cb 3.01 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 35.34 2dir h LYS 15 CO -0.17 -0.30 0.76 1.57 -0.57 0.00 0.00 179.45 180.75 2dir h LYS 16 N -0.80 0.20 0.00 3.15 2.10 -0.57 0.14 116.57 120.79 2dir h LYS 16 Ca -0.05 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2dir h LYS 16 Cb 0.35 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2dir h LYS 16 CO 0.08 0.13 -0.00 -0.92 -2.00 0.00 0.00 179.45 176.74 2dir h TYR 17 N 0.21 -0.01 -1.53 0.07 3.20 -1.21 -2.89 116.97 114.81 2dir h TYR 17 Ca 0.61 -0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.92 2dir h TYR 17 Cb 1.92 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 40.13 2dir h TYR 17 CO -0.00 -0.00 1.28 0.00 -1.64 0.00 0.00 178.16 177.79 2dir h ALA 18 N -1.92 3.45 -0.22 1.82 0.00 -0.43 0.62 119.26 122.57 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 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dir h ALA 18 CO 0.00 -2.07 0.00 -1.91 0.00 0.00 0.00 179.25 175.27 2dir n GLU 19 N -3.71 0.00 0.04 0.00 2.13 0.01 -0.96 120.64 118.17 2dir n GLU 19 Ca 0.34 0.46 0.03 0.00 0.66 0.00 0.00 57.16 58.66 2dir n GLU 19 Cb 1.74 -1.08 0.17 0.00 0.27 0.00 0.00 31.44 32.54 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dir n THR 20 N -1.89 1.69 -0.04 6.31 5.66 -0.56 0.49 114.28 125.94 2dir n THR 20 Ca 0.00 0.55 -0.19 0.00 -3.05 0.00 0.00 64.05 61.36 2dir n THR 20 Cb 0.00 -1.54 -0.13 0.00 -1.55 0.00 0.00 70.33 67.11 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 -1.71 0.84 1.23 1.09 7.35 0.20 -4.22 117.46 122.24 2dir n PHE 21 Ca -0.00 0.19 0.13 0.00 -0.76 0.00 0.00 57.45 57.00 2dir n PHE 21 Cb 0.02 -1.11 0.30 0.00 0.35 0.00 0.00 39.48 39.03 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 -3.37 1.69 -0.23 -2.13 4.77 -0.13 -4.44 117.00 113.16 2dir n LEU 22 Ca -0.35 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 2dir n LEU 22 Cb 1.03 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 2dir n LEU 22 CO 0.38 0.30 0.54 -0.33 -1.33 0.00 0.00 177.39 176.95 2dir h GLU 23 N 2.37 -0.22 0.00 3.23 5.08 -0.13 1.65 114.58 126.56 2dir h GLU 23 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dir h GLU 23 Cb 0.64 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dir h GLU 23 CO 0.00 -0.14 0.00 -0.35 -1.00 0.00 0.00 179.01 177.52 2dir n PRO 24 N -5.38 0.15 -0.01 2.33 -0.04 -1.26 0.32 135.00 131.11 2dir n PRO 24 Ca 0.01 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2dir n PRO 24 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.35 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 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 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 -1.93 0.00 -2.57 -5.99 3.72 0.49 -4.47 117.46 106.71 2dir n PHE 26 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 2dir n PHE 26 Cb 0.37 0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.67 4.63 0.90 -1.08 2.20 0.96 -3.94 119.74 121.74 2dir s LYS 27 Ca 0.00 1.65 -0.17 0.00 -0.36 0.00 0.00 55.97 57.09 2dir s LYS 27 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2dir s LYS 27 CO 0.00 0.13 -0.51 0.00 -0.36 0.00 0.00 175.35 174.62 2dir n ALA 28 N 2.38 -4.62 0.84 3.13 0.00 -1.26 -2.30 120.51 118.68 2dir n ALA 28 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.99 2dir n ALA 28 Cb 0.47 -1.29 0.42 0.00 0.00 0.00 0.00 19.45 19.05 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 1.75 0.35 -2.80 0.00 -0.04 -1.26 -4.82 135.00 128.18 2dir n PRO 29 Ca 0.01 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 2dir n PRO 29 Cb 0.54 -1.50 -0.07 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 -2.28 6.89 -0.02 3.54 0.01 -0.97 -5.06 114.94 117.04 2dir s ASN 30 Ca 0.19 1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 53.67 2dir s ASN 30 Cb 0.10 -2.52 0.11 0.00 0.41 0.00 0.00 41.25 39.36 2dir s ASN 30 CO 0.20 -0.37 1.20 -1.59 -1.51 0.00 0.00 177.10 175.03 2dir s LYS 31 N -3.26 0.53 0.00 -0.60 -2.85 -1.25 -3.82 119.74 108.49 2dir s LYS 31 Ca 0.61 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 2dir s LYS 31 Cb -0.09 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2dir s LYS 31 CO 0.15 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.77 2dir n GLY 32 N -0.39 0.47 3.90 0.59 0.00 -1.26 -4.99 105.19 103.51 2dir n GLY 32 Ca -0.06 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.40 2.78 0.18 2.61 -4.23 -1.26 -1.35 115.64 110.98 2dir s THR 33 Ca 0.00 -1.28 -0.24 0.00 -1.18 0.00 0.00 61.69 58.99 2dir s THR 33 Cb 0.00 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.88 2dir s THR 33 CO 0.00 -0.01 0.89 0.72 -0.54 0.00 0.00 174.62 175.68 2dir s PHE 34 N -2.44 -0.16 -0.12 3.99 -0.71 -1.24 -2.00 117.98 115.31 2dir s PHE 34 Ca 0.49 -0.18 -0.03 0.00 -1.04 0.00 0.00 56.93 56.17 2dir s PHE 34 Cb -0.05 0.65 0.04 0.00 -1.21 0.00 0.00 43.02 42.46 2dir s PHE 34 CO 0.29 -0.93 0.05 1.14 -1.34 0.00 0.00 175.22 174.43 2dir s GLN 35 N -3.45 0.30 0.10 1.99 -2.07 -0.44 0.56 119.66 116.64 2dir s GLN 35 Ca 0.12 0.00 -0.22 0.00 -1.82 0.00 0.00 55.36 53.45 2dir s GLN 35 Cb -0.03 -1.35 -0.07 0.00 -1.09 0.00 0.00 33.01 30.47 2dir s GLN 35 CO 0.03 -0.49 0.65 0.42 -1.32 0.00 0.00 175.29 174.58 2dir s ILE 36 N 2.04 4.62 -0.02 3.63 1.01 -1.26 -1.75 121.20 129.47 2dir s ILE 36 Ca 0.03 1.40 -0.00 0.00 0.00 0.00 0.00 60.65 62.07 2dir s ILE 36 Cb -0.14 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2dir s ILE 36 CO -0.06 0.53 0.04 -0.69 0.00 0.00 0.00 174.94 174.75 2dir s VAL 37 N -1.03 -0.07 -0.31 2.92 1.01 -0.99 -4.99 120.40 116.94 2dir s VAL 37 Ca 0.32 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2dir s VAL 37 Cb -0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2dir s VAL 37 CO 0.21 0.10 0.48 -0.47 0.00 0.00 0.00 175.10 175.43 2dir s TYR 38 N 1.23 3.21 -0.17 5.22 5.04 -1.26 -1.28 117.35 129.35 2dir s TYR 38 Ca -0.07 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2dir s TYR 38 Cb -0.13 -2.80 0.02 0.00 0.35 0.00 0.00 41.96 39.40 2dir s TYR 38 CO -0.03 -0.42 -0.18 0.15 -1.34 0.00 0.00 175.55 173.73 2dir s LYS 39 N 2.30 2.78 -0.10 4.97 1.02 -0.67 -4.97 119.74 125.07 2dir s LYS 39 Ca 0.18 -0.75 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 2dir s LYS 39 Cb -0.16 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2dir s LYS 39 CO 0.12 -0.21 0.04 0.45 -0.92 0.00 0.00 175.35 174.83 2dir s SER 40 N 1.32 1.79 0.46 2.83 0.15 -1.26 -2.37 113.70 116.62 2dir s SER 40 Ca 0.04 -0.24 0.26 0.00 0.70 0.00 0.00 55.95 56.72 2dir s SER 40 Cb -0.13 -0.35 0.77 0.00 -1.71 0.00 0.00 66.02 64.60 2dir s SER 40 CO -0.12 -0.25 1.76 0.08 1.20 0.00 0.00 173.24 175.91 2dir h ARG 41 N 8.36 0.00 -5.35 5.44 0.11 -1.99 -3.45 114.38 117.49 2dir h ARG 41 Ca -0.16 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.41 2dir h ARG 41 Cb 1.13 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.07 2dir h ARG 41 CO 0.25 0.08 -0.62 0.54 0.10 0.00 0.00 179.97 180.32 2dir s ASN 42 N -6.05 2.73 -0.20 0.08 4.22 -1.26 -5.11 114.94 109.35 2dir s ASN 42 Ca 0.04 -1.35 -0.29 0.00 -2.14 0.00 0.00 52.86 49.12 2dir s ASN 42 Cb 0.07 -0.16 -0.00 0.00 1.28 0.00 0.00 41.25 42.44 2dir s ASN 42 CO 0.63 -0.54 1.19 0.21 -2.04 0.00 0.00 177.10 176.55 2dir s ASN 43 N -3.53 6.97 0.00 3.54 3.84 -1.26 -5.02 114.94 119.48 2dir s ASN 43 Ca 0.35 1.52 0.03 0.00 0.21 0.00 0.00 52.86 54.97 2dir s ASN 43 Cb 0.08 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 2dir s ASN 43 CO 0.15 -0.76 -0.05 -0.44 -2.79 0.00 0.00 177.10 173.21 2dir s SER 44 N 1.78 4.76 0.04 -4.21 0.01 -1.26 -5.05 113.70 109.78 2dir s SER 44 Ca 0.51 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.36 2dir s SER 44 Cb -0.19 -1.15 -0.17 0.00 0.21 0.00 0.00 66.02 64.72 2dir s SER 44 CO 0.13 0.28 1.43 1.12 0.41 0.00 0.00 173.24 176.60 2dir h HIS 45 N 4.45 -0.71 -2.97 2.43 2.07 -2.07 -3.43 115.15 114.93 2dir h HIS 45 Ca -0.49 -0.02 -0.57 0.00 -2.85 0.00 0.00 60.37 56.45 2dir h HIS 45 Cb 1.17 0.23 0.09 0.00 2.57 0.00 0.00 27.41 31.47 2dir h HIS 45 CO 0.59 -0.39 0.64 1.55 -3.07 0.00 0.00 177.93 177.25 2dir n VAL 46 N -5.37 1.23 -1.99 6.12 3.14 -1.26 -4.94 118.33 115.26 2dir n VAL 46 Ca -0.12 -0.31 -0.35 0.00 -2.96 0.00 0.00 64.34 60.60 2dir n VAL 46 Cb 0.33 -1.60 0.03 0.00 -1.06 0.00 0.00 33.84 31.54 2dir n VAL 46 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2dir s ASN 47 N 0.18 5.27 0.06 6.55 0.01 -1.26 -4.96 114.94 120.79 2dir s ASN 47 Ca 0.64 2.23 -0.15 0.00 -0.71 0.00 0.00 52.86 54.86 2dir s ASN 47 Cb -0.60 -2.58 -0.21 0.00 0.41 0.00 0.00 41.25 38.27 2dir s ASN 47 CO 0.53 -1.53 1.19 0.08 -1.51 0.00 0.00 177.10 175.86 2dir h ARG 48 N 0.71 0.64 -0.38 -0.60 0.11 -1.94 -3.22 114.38 109.70 2dir h ARG 48 Ca -0.49 -0.64 0.04 0.00 0.10 0.00 0.00 59.98 58.99 2dir h ARG 48 Cb 1.27 0.17 -0.04 0.00 1.11 0.00 0.00 29.97 32.48 2dir h ARG 48 CO 0.55 1.24 0.14 1.05 0.10 0.00 0.00 179.97 183.05 2dir h GLU 49 N 0.29 0.29 -0.92 0.08 4.11 -1.99 -0.63 114.58 115.81 2dir h GLU 49 Ca -0.10 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.43 2dir h GLU 49 Cb 1.51 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 2dir h GLU 49 CO 0.17 0.19 0.55 0.93 0.07 0.00 0.00 179.01 180.92 2dir h GLU 50 N 0.30 0.84 0.04 1.06 3.07 -1.97 0.30 114.58 118.22 2dir h GLU 50 Ca 0.17 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2dir h GLU 50 Cb 0.15 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2dir h GLU 50 CO -0.17 0.55 -0.02 0.28 -1.40 0.00 0.00 179.01 178.25 2dir h VAL 51 N 0.86 1.24 0.22 3.13 2.07 -1.37 -2.34 116.25 120.05 2dir h VAL 51 Ca 0.46 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2dir h VAL 51 Cb 0.48 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2dir h VAL 51 CO -0.28 0.23 -0.10 0.40 0.02 0.00 0.00 177.57 177.84 2dir h ILE 52 N -0.45 0.00 -0.79 4.57 2.04 -0.63 -1.49 117.51 120.76 2dir h ILE 52 Ca -0.01 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2dir h ILE 52 Cb 0.42 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 2dir h ILE 52 CO 0.01 0.00 -0.56 0.03 0.00 0.00 0.00 178.15 177.63 2dir h ARG 53 N -0.33 -0.11 -0.08 2.37 -0.00 -0.56 -1.47 114.38 114.20 2dir h ARG 53 Ca -0.03 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2dir h ARG 53 Cb 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.18 2dir h ARG 53 CO 0.05 -0.07 -0.30 1.49 0.00 0.00 0.00 179.97 181.13 2dir h GLU 54 N -0.12 -0.31 -0.89 0.04 4.57 -1.49 0.19 114.58 116.58 2dir h GLU 54 Ca 0.13 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.60 2dir h GLU 54 Cb 0.45 0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 28.94 2dir h GLU 54 CO -0.80 -0.20 0.11 1.28 -1.18 0.00 0.00 179.01 178.22 2dir n LEU 55 N -4.15 -0.02 -0.09 1.64 4.77 -0.56 0.13 117.00 118.72 2dir n LEU 55 Ca -0.03 1.50 -0.11 0.00 -0.03 0.00 0.00 56.01 57.33 2dir n LEU 55 Cb 0.21 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2dir n LEU 55 CO 0.04 -1.55 0.73 0.00 -1.33 0.00 0.00 177.39 175.29 2dir h ALA 56 N 1.77 0.37 -0.22 -1.18 0.00 -0.21 -2.45 119.26 117.34 2dir h ALA 56 Ca 0.58 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2dir h ALA 56 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dir h ALA 56 CO -0.80 0.16 0.22 0.78 0.00 0.00 0.00 179.25 179.60 2dir h GLY 57 N 0.27 0.00 1.04 0.00 0.00 0.31 -1.63 103.07 103.06 2dir h GLY 57 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.07 2dir h GLY 57 CO 0.02 0.00 -1.54 -2.22 0.00 0.00 0.00 176.54 172.80 2dir h ILE 58 N 0.00 1.14 -0.30 2.60 2.04 -1.00 -3.24 117.51 118.75 2dir h ILE 58 Ca 0.11 -2.59 0.07 0.00 1.00 0.00 0.00 64.86 63.44 2dir h ILE 58 Cb 0.55 2.93 -0.07 0.00 -0.74 0.00 0.00 36.82 39.48 2dir h ILE 58 CO -0.00 0.82 -0.18 0.58 0.00 0.00 0.00 178.15 179.36 2dir h VAL 59 N 0.07 0.48 -0.86 1.67 2.07 -0.83 -0.97 116.25 117.87 2dir h VAL 59 Ca -0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2dir h VAL 59 Cb 2.08 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2dir h VAL 59 CO 0.22 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.38 2dir h THR 61 N 1.15 0.75 0.11 0.00 2.02 -1.21 -2.94 112.91 112.80 2dir h THR 61 Ca 0.32 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2dir h THR 61 Cb -0.11 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2dir h THR 61 CO -0.08 0.11 -0.05 -0.07 0.37 0.00 0.00 175.52 175.80 2dir h LEU 62 N 0.62 -0.13 -8.00 2.58 3.38 -1.06 -3.44 115.31 109.27 2dir h LEU 62 Ca 0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.84 2dir h LEU 62 Cb 0.91 0.03 -0.35 0.00 0.09 0.00 0.00 40.66 41.34 2dir h LEU 62 CO -0.24 -0.07 -0.85 0.21 0.09 0.00 0.00 178.44 177.59 2dir s ASN 63 N -2.53 2.80 0.60 -0.43 3.84 -1.11 -4.72 114.94 113.39 2dir s ASN 63 Ca -0.02 -0.53 0.30 0.00 0.21 0.00 0.00 52.86 52.82 2dir s ASN 63 Cb 0.00 -1.27 1.70 0.00 -0.55 0.00 0.00 41.25 41.13 2dir s ASN 63 CO 0.07 -0.01 2.08 -1.28 -2.79 0.00 0.00 177.10 175.17 2dir h SER 64 N 7.80 0.00 0.85 -4.21 0.87 -1.85 0.25 113.55 117.26 2dir h SER 64 Ca -0.38 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2dir h SER 64 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2dir h SER 64 CO 0.55 0.00 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.28 2dir h GLU 65 N 0.00 0.00 -6.65 2.24 4.39 -1.94 -3.44 114.58 109.18 2dir h GLU 65 Ca 0.08 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.26 2dir h GLU 65 Cb 0.54 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.24 2dir h GLU 65 CO -0.00 0.24 0.83 -0.80 -1.16 0.00 0.00 179.01 178.12 2dir s ASN 66 N -6.23 6.62 -0.23 1.42 0.01 0.88 -4.39 114.94 113.02 2dir s ASN 66 Ca 0.00 2.62 -0.03 0.00 -0.71 0.00 0.00 52.86 54.74 2dir s ASN 66 Cb 0.11 -2.60 0.10 0.00 0.41 0.00 0.00 41.25 39.27 2dir s ASN 66 CO 0.64 -0.78 0.24 -0.54 -1.51 0.00 0.00 177.10 175.15 2dir s LYS 67 N 0.62 0.22 0.01 -0.60 1.02 -0.46 -4.68 119.74 115.87 2dir s LYS 67 Ca 0.66 0.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 2dir s LYS 67 Cb -0.43 -1.09 -0.08 0.00 -0.52 0.00 0.00 37.83 35.72 2dir s LYS 67 CO 0.35 -0.74 1.86 0.54 -0.92 0.00 0.00 175.35 176.44 2dir s VAL 68 N 2.33 3.19 0.09 3.17 0.11 -1.26 -3.59 120.40 124.43 2dir s VAL 68 Ca 0.08 0.25 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2dir s VAL 68 Cb -0.15 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2dir s VAL 68 CO -0.17 -0.02 -0.22 -0.62 -3.33 0.00 0.00 175.10 170.74 2dir s ASP 69 N 4.02 2.62 0.00 3.54 -1.08 0.19 -4.82 116.67 121.14 2dir s ASP 69 Ca 0.83 -0.65 0.10 0.00 -0.52 0.00 0.00 52.55 52.32 2dir s ASP 69 Cb -0.40 -0.17 0.15 0.00 -1.46 0.00 0.00 42.92 41.04 2dir s ASP 69 CO 0.38 0.10 0.96 0.18 0.52 0.00 0.00 175.17 177.30 2dir n LEU 70 N 1.26 2.18 -0.05 -1.34 4.77 -1.26 -3.68 117.00 118.88 2dir n LEU 70 Ca -0.19 -1.30 -0.08 0.00 -0.03 0.00 0.00 56.01 54.41 2dir n LEU 70 Cb 0.53 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2dir n LEU 70 CO 0.23 0.47 -0.57 0.41 -1.33 0.00 0.00 177.39 176.59 2dir n THR 71 N 0.56 1.35 -2.71 -5.08 -1.04 -1.26 -4.80 114.28 101.30 2dir n THR 71 Ca 0.08 0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.96 2dir n THR 71 Cb 0.31 -2.05 -0.02 0.00 -1.82 0.00 0.00 70.33 66.75 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 -4.10 4.66 -4.74 8.00 3.02 -1.26 -5.07 115.26 115.77 2dir n ASN 72 Ca -0.14 -3.71 -0.41 0.00 -0.03 0.00 0.00 54.58 50.29 2dir n ASN 72 Cb 0.42 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.52 4.41 -0.11 3.52 0.04 -1.26 -4.84 135.00 133.23 2dir s PRO 73 Ca 0.48 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.59 2dir s PRO 73 Cb 0.34 -3.18 -0.24 0.00 0.04 0.00 0.00 34.50 31.46 2dir s PRO 73 CO -0.17 -0.19 0.39 1.04 0.04 0.00 0.00 177.00 178.11 2dir n GLN 74 N 2.21 0.70 -4.16 4.56 1.13 -1.09 -4.86 117.38 115.87 2dir n GLN 74 Ca 0.04 0.24 -0.28 0.00 -1.94 0.00 0.00 57.00 55.06 2dir n GLN 74 Cb 0.43 -1.71 -0.17 0.00 0.11 0.00 0.00 30.24 28.91 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dir s TYR 75 N -2.56 1.88 -0.39 1.08 2.02 -0.85 -3.12 117.35 115.41 2dir s TYR 75 Ca -0.17 -0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 55.41 2dir s TYR 75 Cb 0.07 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2dir s TYR 75 CO 0.78 -0.54 0.43 0.99 -1.57 0.00 0.00 175.55 175.63 2dir s THR 76 N 1.34 5.09 -0.49 -0.71 2.01 -0.45 -1.33 115.64 121.11 2dir s THR 76 Ca 0.00 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 2dir s THR 76 Cb -0.14 -3.96 0.12 0.00 0.01 0.00 0.00 72.50 68.53 2dir s THR 76 CO -0.06 -0.30 0.39 0.68 -0.69 0.00 0.00 174.62 174.64 2dir s VAL 77 N 2.16 4.58 0.02 3.82 -7.23 -0.72 -1.36 120.40 121.67 2dir s VAL 77 Ca 0.13 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2dir s VAL 77 Cb -0.17 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 32.78 2dir s VAL 77 CO 0.13 -0.77 0.20 0.68 -0.31 0.00 0.00 175.10 175.04 2dir s VAL 78 N 1.46 5.40 -0.32 1.32 -7.23 -0.64 -2.34 120.40 118.05 2dir s VAL 78 Ca 0.04 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 2dir s VAL 78 Cb -0.27 -3.58 0.09 0.00 0.56 0.00 0.00 36.38 33.18 2dir s VAL 78 CO 0.01 0.25 0.01 0.68 -0.31 0.00 0.00 175.10 175.75 2dir s VAL 79 N -1.40 2.31 0.11 1.32 -7.23 -0.40 -0.99 120.40 114.12 2dir s VAL 79 Ca 0.30 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2dir s VAL 79 Cb -0.13 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2dir s VAL 79 CO 0.22 -0.44 0.43 -0.70 -0.31 0.00 0.00 175.10 174.31 2dir s GLU 80 N 0.97 3.79 -0.39 4.82 2.12 0.22 -1.67 118.70 128.56 2dir s GLU 80 Ca 0.05 0.21 -0.11 0.00 0.36 0.00 0.00 54.97 55.49 2dir s GLU 80 Cb -0.19 -2.95 0.04 0.00 0.26 0.00 0.00 34.13 31.29 2dir s GLU 80 CO -0.07 0.52 0.22 0.42 -0.54 0.00 0.00 175.26 175.81 2dir s ILE 81 N -1.46 4.50 -0.04 -3.70 -1.09 -1.00 -1.06 121.20 117.34 2dir s ILE 81 Ca 0.36 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2dir s ILE 81 Cb -0.14 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2dir s ILE 81 CO 0.19 -0.30 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.83 2dir s ILE 82 N 1.53 1.20 -0.96 2.92 1.09 -1.07 -4.53 121.20 121.39 2dir s ILE 82 Ca 0.02 -0.58 -0.11 0.00 -1.10 0.00 0.00 60.65 58.88 2dir s ILE 82 Cb -0.20 -1.05 0.10 0.00 -1.06 0.00 0.00 42.46 40.25 2dir s ILE 82 CO 0.06 0.36 0.31 0.29 -0.10 0.00 0.00 174.94 175.85 2dir n LYS 83 N 3.25 -2.20 -3.05 2.79 4.76 -1.26 0.67 118.16 123.12 2dir n LYS 83 Ca -0.19 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.28 2dir n LYS 83 Cb 0.53 -4.72 0.06 0.00 -1.84 0.00 0.00 35.03 29.06 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dir n ALA 84 N -3.25 -1.29 -2.93 7.82 0.00 -1.26 -5.04 120.51 114.56 2dir n ALA 84 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 2dir n ALA 84 Cb 0.49 -2.31 -0.12 0.00 0.00 0.00 0.00 19.45 17.51 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 -3.24 0.20 -0.53 0.00 0.11 0.21 -5.11 120.40 112.04 2dir s VAL 85 Ca 0.09 -0.78 -0.24 0.00 -2.93 0.00 0.00 61.98 58.12 2dir s VAL 85 Cb -0.04 -0.30 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2dir s VAL 85 CO 0.51 -0.37 0.93 0.00 -3.33 0.00 0.00 175.10 172.84 2dir s LEU 88 N 1.62 4.24 -0.21 0.00 1.02 -1.26 -0.61 118.68 123.48 2dir s LEU 88 Ca 0.04 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.26 2dir s LEU 88 Cb -0.22 -2.51 -0.00 0.00 0.02 0.00 0.00 46.19 43.48 2dir s LEU 88 CO 0.07 -0.35 -0.08 -0.55 0.02 0.00 0.00 176.35 175.47 2dir s SER 89 N 1.69 4.02 -0.29 2.29 0.15 -0.16 -4.97 113.70 116.44 2dir s SER 89 Ca 0.17 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 2dir s SER 89 Cb -0.16 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2dir s SER 89 CO 0.11 -0.01 0.16 -0.69 1.20 0.00 0.00 173.24 174.01 2dir s VAL 90 N 1.42 4.90 -0.17 4.45 1.01 -1.26 -1.62 120.40 129.13 2dir s VAL 90 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2dir s VAL 90 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2dir s VAL 90 CO -0.05 0.20 -0.11 -0.69 0.00 0.00 0.00 175.10 174.45 2dir s VAL 91 N 1.69 3.06 -0.51 2.92 1.01 -0.47 -4.95 120.40 123.15 2dir s VAL 91 Ca 0.06 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2dir s VAL 91 Cb -0.16 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 33.96 2dir s VAL 91 CO 0.08 0.49 0.56 -0.75 0.00 0.00 0.00 175.10 175.48 2dir s LYS 92 N 0.82 3.07 -0.12 2.72 2.20 -1.26 -1.33 119.74 125.83 2dir s LYS 92 Ca -0.04 -1.11 0.02 0.00 -0.36 0.00 0.00 55.97 54.49 2dir s LYS 92 Cb -0.15 -4.13 -0.00 0.00 -1.51 0.00 0.00 37.83 32.03 2dir s LYS 92 CO 0.01 -1.20 -0.20 0.45 -0.36 0.00 0.00 175.35 174.04 2dir s SER 93 N 2.80 3.34 -0.35 1.43 0.15 -1.18 -5.07 113.70 114.82 2dir s SER 93 Ca 0.11 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dir s SER 93 Cb -0.22 -1.47 0.14 0.00 -1.71 0.00 0.00 66.02 62.76 2dir s SER 93 CO 0.09 0.14 0.22 -0.83 1.20 0.00 0.00 173.24 174.06 2dir s GLY 94 N 0.49 0.81 0.00 9.45 0.00 -1.26 -4.67 107.32 112.14 2dir s GLY 94 Ca -0.14 -1.83 0.15 0.00 0.00 0.00 0.00 44.72 42.91 2dir s GLY 94 CO 0.05 2.13 1.36 -1.55 0.00 0.00 0.00 173.10 175.09 2dir n PRO 95 N 4.02 0.44 -2.35 2.90 -0.04 -1.26 -4.44 135.00 134.26 2dir n PRO 95 Ca 0.13 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 2dir n PRO 95 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2dir n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dir s SER 96 N -2.11 6.91 -1.75 3.54 0.01 -1.26 -3.41 113.70 115.62 2dir s SER 96 Ca 0.22 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 59.09 2dir s SER 96 Cb 0.11 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.97 2dir s SER 96 CO 0.19 -0.76 0.71 -0.24 0.41 0.00 0.00 173.24 173.55 2dir n SER 97 N 6.44 -2.75 0.00 2.44 2.88 -1.26 -5.27 113.62 116.11 2dir n SER 97 Ca 0.14 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 2dir n SER 97 Cb 0.45 -2.40 0.00 0.00 -0.75 0.00 0.00 64.21 61.51 2dir n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42