#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 5.17 -0.12 1.61 7.64 -1.26 -4.73 113.62 121.93 2dir n SER 2 Ca 0.00 -3.75 -0.23 0.00 1.01 0.00 0.00 58.87 55.90 2dir n SER 2 Cb 0.00 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 62.69 2dir n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dir n SER 3 N -0.68 1.94 0.00 6.43 3.41 -1.26 -5.04 113.62 118.42 2dir n SER 3 Ca 0.45 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2dir n SER 3 Cb 0.86 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2dir n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dir n GLY 4 N 1.33 2.61 3.59 5.00 0.00 -1.26 -4.93 105.19 111.52 2dir n GLY 4 Ca -0.40 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2dir n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dir s SER 5 N 0.00 5.66 0.15 1.61 0.15 -1.26 -4.88 113.70 115.13 2dir s SER 5 Ca 0.00 1.11 -0.27 0.00 0.70 0.00 0.00 55.95 57.48 2dir s SER 5 Cb 0.00 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2dir s SER 5 CO 0.00 -1.93 1.58 0.77 1.20 0.00 0.00 173.24 174.86 2dir h SER 6 N 13.77 -1.40 -0.15 5.45 4.64 -2.05 -3.43 113.55 130.37 2dir h SER 6 Ca -0.32 0.21 0.27 0.00 -0.47 0.00 0.00 61.79 61.49 2dir h SER 6 Cb 1.18 0.61 -0.23 0.00 -0.31 0.00 0.00 62.40 63.65 2dir h SER 6 CO 1.08 -0.38 0.33 -0.83 -0.87 0.00 0.00 176.83 176.16 2dir s GLY 7 N -2.68 -0.03 -0.13 -0.77 0.00 -1.26 -5.15 107.32 97.30 2dir s GLY 7 Ca -0.15 3.22 -0.02 0.00 0.00 0.00 0.00 44.72 47.76 2dir s GLY 7 CO 0.65 3.79 0.03 1.25 0.00 0.00 0.00 173.10 178.82 2dir s LYS 8 N 2.74 0.53 0.12 2.90 2.36 -1.26 -5.04 119.74 122.08 2dir s LYS 8 Ca -0.06 -0.12 -0.21 0.00 -2.55 0.00 0.00 55.97 53.03 2dir s LYS 8 Cb -0.07 -1.54 -0.03 0.00 -1.05 0.00 0.00 37.83 35.15 2dir s LYS 8 CO -0.10 -0.49 1.09 0.00 1.55 0.00 0.00 175.35 177.39 2dir n ALA 9 N 5.13 -0.42 -0.33 3.13 0.00 -1.26 0.11 120.51 126.87 2dir n ALA 9 Ca -0.08 0.61 0.09 0.00 0.00 0.00 0.00 53.44 54.06 2dir n ALA 9 Cb 0.49 -0.12 0.19 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.89 0.45 -0.04 0.00 7.35 -1.26 0.72 117.46 119.79 2dir n PHE 10 Ca 0.02 1.14 -0.12 0.00 -0.76 0.00 0.00 57.45 57.72 2dir n PHE 10 Cb 0.19 -1.11 -0.11 0.00 0.35 0.00 0.00 39.48 38.80 2dir n PHE 10 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dir h LEU 11 N 0.00 -0.03 0.08 -2.13 3.38 0.36 -3.03 115.31 113.95 2dir h LEU 11 Ca 0.50 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2dir h LEU 11 Cb 0.89 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2dir h LEU 11 CO -0.93 0.77 -0.27 -0.33 0.09 0.00 0.00 178.44 177.77 2dir h GLU 12 N -0.87 -0.39 -0.76 1.13 4.39 0.14 -2.36 114.58 115.86 2dir h GLU 12 Ca -0.00 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.89 2dir h GLU 12 Cb 0.75 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.35 2dir h GLU 12 CO 0.00 -0.26 -0.04 0.38 -1.16 0.00 0.00 179.01 177.94 2dir h ASP 13 N -0.40 -0.43 -0.51 1.42 3.04 0.13 -1.82 116.42 117.85 2dir h ASP 13 Ca -0.01 0.20 0.05 0.00 -3.24 0.00 0.00 57.03 54.04 2dir h ASP 13 Cb 0.40 0.38 -0.07 0.00 -1.04 0.00 0.00 39.33 38.99 2dir h ASP 13 CO -0.14 -0.20 -0.41 -0.03 -2.04 0.00 0.00 179.24 176.42 2dir h MET 14 N 0.07 -0.13 -0.70 4.15 4.05 -1.30 -0.80 114.93 120.28 2dir h MET 14 Ca 0.41 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.93 2dir h MET 14 Cb 0.70 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.43 2dir h MET 14 CO -0.70 -0.09 -0.32 1.63 0.23 0.00 0.00 176.91 177.67 2dir n LYS 15 N -4.60 -0.21 0.09 0.39 4.01 -0.68 0.39 118.16 117.55 2dir n LYS 15 Ca -0.00 1.07 -0.11 0.00 -0.51 0.00 0.00 58.31 58.75 2dir n LYS 15 Cb 0.21 -1.58 -0.06 0.00 -0.51 0.00 0.00 35.03 33.09 2dir n LYS 15 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2dir h LYS 16 N 0.00 -0.50 0.08 1.97 1.57 -1.20 0.43 116.57 118.92 2dir h LYS 16 Ca 0.20 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2dir h LYS 16 Cb 0.38 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2dir h LYS 16 CO -0.68 -0.33 -0.05 -0.92 -0.57 0.00 0.00 179.45 176.89 2dir h TYR 17 N -0.52 -0.15 -0.77 -1.35 3.20 -0.33 -1.25 116.97 115.80 2dir h TYR 17 Ca -0.01 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2dir h TYR 17 Cb 0.51 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.72 2dir h TYR 17 CO -0.36 -0.08 -0.38 0.00 -1.64 0.00 0.00 178.16 175.70 2dir n ALA 18 N -2.22 -0.30 -0.03 1.82 0.00 0.16 0.22 120.51 120.16 2dir n ALA 18 Ca -0.02 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2dir n ALA 18 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2dir n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dir n GLU 19 N -5.05 0.00 0.03 0.00 2.13 0.14 0.02 120.64 117.92 2dir n GLU 19 Ca 0.05 0.64 0.02 0.00 0.66 0.00 0.00 57.16 58.52 2dir n GLU 19 Cb 0.25 -1.48 0.10 0.00 0.27 0.00 0.00 31.44 30.59 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 -2.25 1.66 0.05 6.31 5.66 -0.48 0.58 114.28 125.81 2dir n THR 20 Ca 0.00 0.55 0.05 0.00 -3.05 0.00 0.00 64.05 61.60 2dir n THR 20 Cb 0.00 -1.55 -0.06 0.00 -1.55 0.00 0.00 70.33 67.17 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 -1.60 0.83 0.17 1.09 7.35 0.60 -4.14 117.46 121.76 2dir n PHE 21 Ca -0.00 0.26 0.02 0.00 -0.76 0.00 0.00 57.45 56.97 2dir n PHE 21 Cb 0.05 -0.98 0.03 0.00 0.35 0.00 0.00 39.48 38.93 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 -2.74 1.54 -0.13 -2.13 4.77 0.10 -4.74 117.00 113.68 2dir n LEU 22 Ca -0.07 -1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 54.69 2dir n LEU 22 Cb 0.72 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2dir n LEU 22 CO 0.42 0.34 0.59 -0.33 -1.33 0.00 0.00 177.39 177.08 2dir h GLU 23 N 0.95 -0.30 0.00 3.23 5.08 -0.02 1.87 114.58 125.40 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 0.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dir h GLU 23 CO 0.00 -0.20 0.00 -0.35 -1.00 0.00 0.00 179.01 177.46 2dir n PRO 24 N -5.42 0.17 -0.00 2.33 -0.04 -1.26 0.31 135.00 131.09 2dir n PRO 24 Ca -0.00 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 2dir n PRO 24 Cb 0.35 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.32 0.00 0.00 0.54 8.01 0.16 -4.67 117.44 120.16 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 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.27 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 -1.64 0.00 -2.55 -5.99 3.72 0.59 -4.48 117.46 107.11 2dir n PHE 26 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2dir n PHE 26 Cb 0.23 0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 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 4.62 0.92 -1.08 2.20 0.90 -3.99 119.74 121.64 2dir s LYS 27 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 2dir s LYS 27 Cb 0.00 -3.29 -0.12 0.00 -1.51 0.00 0.00 37.83 32.91 2dir s LYS 27 CO 0.00 0.11 -0.52 0.00 -0.36 0.00 0.00 175.35 174.58 2dir n ALA 28 N 2.36 -4.68 0.86 3.13 0.00 -1.26 -2.32 120.51 118.60 2dir n ALA 28 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 52.97 2dir n ALA 28 Cb 0.46 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 19.06 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 1.74 0.38 -2.63 0.00 -0.04 -1.26 -4.85 135.00 128.33 2dir n PRO 29 Ca 0.01 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2dir n PRO 29 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.23 6.73 -0.13 3.54 -0.87 -0.98 -5.06 114.94 115.94 2dir s ASN 30 Ca 0.20 1.69 -0.33 0.00 -1.57 0.00 0.00 52.86 52.84 2dir s ASN 30 Cb 0.10 -2.53 0.13 0.00 -0.02 0.00 0.00 41.25 38.93 2dir s ASN 30 CO 0.20 -0.51 1.21 -1.59 -2.57 0.00 0.00 177.10 173.84 2dir s LYS 31 N -3.48 0.37 0.00 -0.60 -2.85 -1.26 -3.95 119.74 107.97 2dir s LYS 31 Ca 0.62 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 2dir s LYS 31 Cb -0.10 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2dir s LYS 31 CO 0.20 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.90 2dir n GLY 32 N -0.21 0.24 3.87 0.59 0.00 -1.26 -5.00 105.19 103.42 2dir n GLY 32 Ca -0.02 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.48 2.93 0.26 2.61 -4.23 -1.26 -1.39 115.64 111.08 2dir s THR 33 Ca 0.00 -1.35 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 2dir s THR 33 Cb 0.00 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.83 2dir s THR 33 CO 0.00 -0.05 0.81 0.72 -0.54 0.00 0.00 174.62 175.56 2dir s PHE 34 N -2.42 -0.10 -0.19 3.99 -0.71 -1.24 -2.01 117.98 115.30 2dir s PHE 34 Ca 0.46 -0.35 -0.04 0.00 -1.04 0.00 0.00 56.93 55.96 2dir s PHE 34 Cb -0.04 0.71 0.06 0.00 -1.21 0.00 0.00 43.02 42.55 2dir s PHE 34 CO 0.28 -1.17 0.07 1.14 -1.34 0.00 0.00 175.22 174.19 2dir s GLN 35 N -3.37 0.35 0.08 1.99 -2.07 -0.72 -0.25 119.66 115.67 2dir s GLN 35 Ca 0.13 -0.27 -0.25 0.00 -1.82 0.00 0.00 55.36 53.14 2dir s GLN 35 Cb -0.04 -1.94 -0.06 0.00 -1.09 0.00 0.00 33.01 29.87 2dir s GLN 35 CO 0.06 -0.68 0.78 0.42 -1.32 0.00 0.00 175.29 174.55 2dir s ILE 36 N 2.00 4.63 -0.06 3.63 1.01 -1.26 -2.12 121.20 129.02 2dir s ILE 36 Ca 0.01 1.67 -0.01 0.00 0.00 0.00 0.00 60.65 62.32 2dir s ILE 36 Cb -0.17 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2dir s ILE 36 CO -0.10 0.40 -0.01 -0.69 0.00 0.00 0.00 174.94 174.55 2dir s VAL 37 N -0.34 0.38 -0.27 2.92 1.01 -1.03 -5.00 120.40 118.07 2dir s VAL 37 Ca 0.38 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 2dir s VAL 37 Cb -0.21 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.66 2dir s VAL 37 CO 0.24 0.24 0.95 -0.47 0.00 0.00 0.00 175.10 176.06 2dir s TYR 38 N 1.69 3.27 -0.24 5.22 5.04 -1.26 -1.42 117.35 129.65 2dir s TYR 38 Ca 0.01 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.87 2dir s TYR 38 Cb -0.13 -3.29 0.05 0.00 0.35 0.00 0.00 41.96 38.94 2dir s TYR 38 CO -0.04 -0.54 -0.09 0.15 -1.34 0.00 0.00 175.55 173.69 2dir s LYS 39 N 3.16 2.00 0.06 4.97 1.02 0.57 -4.95 119.74 126.58 2dir s LYS 39 Ca 0.40 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 2dir s LYS 39 Cb -0.14 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2dir s LYS 39 CO 0.09 -0.54 0.01 -1.54 -0.92 0.00 0.00 175.35 172.46 2dir s SER 40 N 1.27 0.42 0.26 2.83 1.04 -1.26 -1.21 113.70 117.05 2dir s SER 40 Ca -0.06 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.44 2dir s SER 40 Cb -0.19 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2dir s SER 40 CO -0.06 -0.63 0.04 0.54 0.98 0.00 0.00 173.24 174.11 2dir n ARG 41 N 0.07 1.03 -4.45 4.02 5.12 -1.26 -4.80 116.66 116.39 2dir n ARG 41 Ca -0.14 -2.01 -0.40 0.00 -1.93 0.00 0.00 57.85 53.37 2dir n ARG 41 Cb 0.61 0.80 -0.08 0.00 -1.16 0.00 0.00 32.46 32.63 2dir n ARG 41 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2dir n ASN 42 N -1.46 -1.20 -3.80 0.55 0.23 -1.26 -0.19 115.26 108.14 2dir n ASN 42 Ca -0.08 -1.23 -0.27 0.00 -0.53 0.00 0.00 54.58 52.47 2dir n ASN 42 Cb 0.35 -1.57 -0.07 0.00 -2.08 0.00 0.00 39.78 36.42 2dir n ASN 42 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2dir n ASN 43 N -2.50 -0.25 -3.25 0.53 6.94 -1.26 -4.64 115.26 110.83 2dir n ASN 43 Ca 0.02 -0.93 -0.39 0.00 -0.02 0.00 0.00 54.58 53.26 2dir n ASN 43 Cb 0.50 -1.17 -0.04 0.00 -2.36 0.00 0.00 39.78 36.70 2dir n ASN 43 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2dir n SER 44 N -1.84 -0.52 0.19 0.53 3.41 0.73 -4.84 113.62 111.29 2dir n SER 44 Ca -0.09 0.84 -0.15 0.00 -0.26 0.00 0.00 58.87 59.20 2dir n SER 44 Cb 0.43 -0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 2dir n SER 44 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2dir h HIS 45 N 1.37 -1.29 -0.71 7.33 -0.00 -1.90 -3.43 115.15 116.51 2dir h HIS 45 Ca -0.28 0.02 -0.48 0.00 -0.00 0.00 0.00 60.37 59.63 2dir h HIS 45 Cb 1.05 0.52 0.08 0.00 -0.00 0.00 0.00 27.41 29.06 2dir h HIS 45 CO 0.35 -0.57 -0.35 1.55 -0.00 0.00 0.00 177.93 178.92 2dir n VAL 46 N -5.13 1.33 -1.54 2.45 3.14 -1.26 -4.90 118.33 112.43 2dir n VAL 46 Ca -0.09 -0.33 -0.29 0.00 -2.96 0.00 0.00 64.34 60.66 2dir n VAL 46 Cb 0.39 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.67 4.04 -0.24 6.55 -0.87 -1.26 -5.03 114.94 117.47 2dir s ASN 47 Ca 0.46 1.16 -0.10 0.00 -1.57 0.00 0.00 52.86 52.82 2dir s ASN 47 Cb -0.67 -1.83 -0.11 0.00 -0.02 0.00 0.00 41.25 38.61 2dir s ASN 47 CO 0.40 -2.24 -0.30 -2.11 -2.57 0.00 0.00 177.10 170.28 2dir n ARG 48 N -3.59 0.53 0.12 -0.60 1.85 -1.26 -4.33 116.66 109.38 2dir n ARG 48 Ca 0.07 0.21 -0.15 0.00 -1.00 0.00 0.00 57.85 56.99 2dir n ARG 48 Cb 0.57 -1.39 -0.09 0.00 -1.05 0.00 0.00 32.46 30.51 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dir h GLU 49 N -0.73 -0.66 -0.92 2.89 4.39 -1.98 0.62 114.58 118.18 2dir h GLU 49 Ca -0.61 0.05 0.27 0.00 0.34 0.00 0.00 59.36 59.40 2dir h GLU 49 Cb 1.59 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 30.24 2dir h GLU 49 CO -0.33 -0.44 0.30 0.93 -1.16 0.00 0.00 179.01 178.31 2dir h GLU 50 N -0.69 0.20 0.56 2.33 3.07 -1.92 0.25 114.58 118.38 2dir h GLU 50 Ca -0.01 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2dir h GLU 50 Cb 0.68 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2dir h GLU 50 CO -0.23 0.13 -0.27 0.28 -1.40 0.00 0.00 179.01 177.52 2dir h VAL 51 N 0.21 0.00 0.02 3.13 2.07 -1.50 -2.54 116.25 117.63 2dir h VAL 51 Ca 0.61 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.96 2dir h VAL 51 Cb 1.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2dir h VAL 51 CO -0.67 0.00 -0.03 0.40 0.02 0.00 0.00 177.57 177.29 2dir h ILE 52 N -0.92 0.00 -0.76 4.57 2.04 -0.05 0.14 117.51 122.53 2dir h ILE 52 Ca -0.08 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.95 2dir h ILE 52 Cb 0.58 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 2dir h ILE 52 CO 0.13 0.00 -0.14 0.54 0.00 0.00 0.00 178.15 178.67 2dir n ARG 53 N -2.47 -0.07 0.23 2.37 5.12 0.79 -0.79 116.66 121.85 2dir n ARG 53 Ca -0.01 1.18 -0.09 0.00 -1.93 0.00 0.00 57.85 57.00 2dir n ARG 53 Cb 0.02 -1.78 -0.04 0.00 -1.16 0.00 0.00 32.46 29.50 2dir n ARG 53 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dir h GLU 54 N 0.00 -0.58 -0.72 5.56 3.07 -1.13 -0.94 114.58 119.85 2dir h GLU 54 Ca 0.39 0.04 0.26 0.00 -0.50 0.00 0.00 59.36 59.55 2dir h GLU 54 Cb 0.64 0.13 -0.13 0.00 -0.84 0.00 0.00 28.75 28.56 2dir h GLU 54 CO -0.77 -0.39 0.25 1.28 -1.40 0.00 0.00 179.01 177.99 2dir n LEU 55 N -3.91 0.13 -0.03 1.33 4.77 0.47 0.14 117.00 119.89 2dir n LEU 55 Ca -0.07 1.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.97 2dir n LEU 55 Cb 0.24 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 2dir n LEU 55 CO 0.18 -1.30 0.50 0.00 -1.33 0.00 0.00 177.39 175.44 2dir h ALA 56 N 1.43 0.03 -0.40 -1.18 0.00 -1.19 -2.98 119.26 114.98 2dir h ALA 56 Ca 0.55 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2dir h ALA 56 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2dir h ALA 56 CO -0.60 -0.05 0.46 0.78 0.00 0.00 0.00 179.25 179.85 2dir h GLY 57 N -0.55 0.00 0.00 0.00 0.00 0.27 -2.23 103.07 100.57 2dir h GLY 57 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dir h GLY 57 CO 0.02 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.33 2dir h ILE 58 N 0.00 0.66 -0.74 2.60 2.04 -1.14 -3.34 117.51 117.61 2dir h ILE 58 Ca 0.19 -1.50 0.29 0.00 1.00 0.00 0.00 64.86 64.84 2dir h ILE 58 Cb 1.11 1.25 -0.12 0.00 -0.74 0.00 0.00 36.82 38.33 2dir h ILE 58 CO -0.00 0.22 0.42 0.52 0.00 0.00 0.00 178.15 179.31 2dir n VAL 59 N -4.72 -0.26 0.19 1.67 0.31 -0.84 0.16 118.33 114.84 2dir n VAL 59 Ca -0.04 1.35 -0.14 0.00 -0.01 0.00 0.00 64.34 65.50 2dir n VAL 59 Cb 0.18 -2.20 -0.07 0.00 -0.91 0.00 0.00 33.84 30.84 2dir n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dir h THR 61 N -0.46 0.28 0.56 0.00 1.03 0.14 0.26 112.91 114.72 2dir h THR 61 Ca -0.03 -0.06 -0.03 0.00 -0.01 0.00 0.00 66.41 66.29 2dir h THR 61 Cb 0.38 0.10 0.01 0.00 -1.07 0.00 0.00 68.15 67.56 2dir h THR 61 CO 0.03 0.03 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.24 2dir h LEU 62 N 0.17 -0.63 -7.27 0.00 3.38 -1.33 -3.44 115.31 106.18 2dir h LEU 62 Ca 0.72 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 58.41 2dir h LEU 62 Cb 2.28 0.16 -0.33 0.00 0.09 0.00 0.00 40.66 42.87 2dir h LEU 62 CO -0.30 -0.33 -0.56 0.21 0.09 0.00 0.00 178.44 177.55 2dir s ASN 63 N -4.64 0.33 0.56 -0.43 3.84 0.08 -4.34 114.94 110.33 2dir s ASN 63 Ca -0.16 0.47 0.26 0.00 0.21 0.00 0.00 52.86 53.65 2dir s ASN 63 Cb 0.02 0.47 1.51 0.00 -0.55 0.00 0.00 41.25 42.70 2dir s ASN 63 CO 0.54 -0.22 2.04 0.77 -2.79 0.00 0.00 177.10 177.45 2dir h SER 64 N 8.02 0.00 0.74 -4.21 4.64 -1.86 0.31 113.55 121.20 2dir h SER 64 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dir h SER 64 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2dir h SER 64 CO 0.21 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.84 2dir h GLU 65 N 0.00 0.00 -6.59 4.77 4.39 -1.95 -3.43 114.58 111.77 2dir h GLU 65 Ca 0.15 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.32 2dir h GLU 65 Cb 0.71 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.39 2dir h GLU 65 CO -0.00 0.00 0.79 -0.80 -1.16 0.00 0.00 179.01 177.84 2dir s ASN 66 N -5.14 6.71 -0.24 1.42 0.01 0.11 -4.28 114.94 113.53 2dir s ASN 66 Ca 0.01 2.48 -0.03 0.00 -0.71 0.00 0.00 52.86 54.61 2dir s ASN 66 Cb 0.09 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.27 2dir s ASN 66 CO 0.46 -0.73 0.23 -0.54 -1.51 0.00 0.00 177.10 175.02 2dir s LYS 67 N 0.95 0.23 -0.03 -0.60 -0.14 -0.49 -4.80 119.74 114.86 2dir s LYS 67 Ca 0.66 0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.99 2dir s LYS 67 Cb -0.40 -1.03 -0.08 0.00 -1.68 0.00 0.00 37.83 34.64 2dir s LYS 67 CO 0.32 -0.82 2.00 0.54 -0.76 0.00 0.00 175.35 176.64 2dir s VAL 68 N 2.31 3.06 0.07 3.17 0.11 -1.26 -3.67 120.40 124.18 2dir s VAL 68 Ca 0.08 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.29 2dir s VAL 68 Cb -0.15 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 2dir s VAL 68 CO -0.22 -0.01 -0.26 -0.62 -3.33 0.00 0.00 175.10 170.66 2dir s ASP 69 N 5.24 3.15 0.00 3.54 -1.08 0.66 -4.82 116.67 123.36 2dir s ASP 69 Ca 0.90 -0.63 0.09 0.00 -0.52 0.00 0.00 52.55 52.39 2dir s ASP 69 Cb -0.40 -0.26 0.12 0.00 -1.46 0.00 0.00 42.92 40.91 2dir s ASP 69 CO 0.39 0.23 0.89 0.18 0.52 0.00 0.00 175.17 177.39 2dir n LEU 70 N 1.56 2.00 -0.10 -1.34 4.77 -1.26 -3.85 117.00 118.78 2dir n LEU 70 Ca -0.17 -1.24 -0.21 0.00 -0.03 0.00 0.00 56.01 54.35 2dir n LEU 70 Cb 0.52 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2dir n LEU 70 CO 0.23 0.43 -1.16 0.41 -1.33 0.00 0.00 177.39 175.97 2dir n THR 71 N 0.47 1.17 -2.96 -5.08 -1.04 -1.26 -4.81 114.28 100.77 2dir n THR 71 Ca 0.06 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.05 61.61 2dir n THR 71 Cb 0.27 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 66.94 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 -3.96 2.68 -4.73 8.00 3.02 -1.26 -5.09 115.26 113.91 2dir n ASN 72 Ca -0.39 -3.30 -0.41 0.00 -0.03 0.00 0.00 54.58 50.45 2dir n ASN 72 Cb 0.76 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 -3.02 4.38 -0.06 3.52 0.04 -1.26 -4.87 135.00 133.73 2dir s PRO 73 Ca 0.43 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 2dir s PRO 73 Cb 0.34 -3.21 -0.27 0.00 0.04 0.00 0.00 34.50 31.40 2dir s PRO 73 CO -0.10 -0.27 0.61 1.96 0.04 0.00 0.00 177.00 179.23 2dir h GLN 74 N 5.58 0.25 -4.54 4.56 4.20 -1.78 -3.44 115.11 119.94 2dir h GLN 74 Ca -0.44 -0.43 -0.58 0.00 0.06 0.00 0.00 58.65 57.26 2dir h GLN 74 Cb 1.21 0.16 -0.36 0.00 0.30 0.00 0.00 27.48 28.79 2dir h GLN 74 CO 0.78 1.11 -0.82 0.71 -0.67 0.00 0.00 178.83 179.94 2dir s TYR 75 N -2.58 1.94 -0.38 2.96 2.02 -0.85 -3.00 117.35 117.46 2dir s TYR 75 Ca -0.15 -1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 55.33 2dir s TYR 75 Cb 0.07 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 2dir s TYR 75 CO 0.82 -0.60 0.47 0.99 -1.57 0.00 0.00 175.55 175.66 2dir s THR 76 N 1.50 5.05 -0.48 -0.71 2.01 -0.34 -1.76 115.64 120.91 2dir s THR 76 Ca 0.04 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 2dir s THR 76 Cb -0.13 -3.98 0.12 0.00 0.01 0.00 0.00 72.50 68.52 2dir s THR 76 CO -0.09 -0.29 0.38 0.68 -0.69 0.00 0.00 174.62 174.61 2dir s VAL 77 N 2.28 4.49 -0.03 3.82 -7.23 -0.90 -1.56 120.40 121.27 2dir s VAL 77 Ca 0.16 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2dir s VAL 77 Cb -0.16 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.83 2dir s VAL 77 CO 0.14 -0.77 0.17 0.68 -0.31 0.00 0.00 175.10 175.01 2dir s VAL 78 N 1.44 5.43 -0.34 1.32 -7.23 -0.80 -2.48 120.40 117.74 2dir s VAL 78 Ca 0.05 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 2dir s VAL 78 Cb -0.27 -3.50 0.09 0.00 0.56 0.00 0.00 36.38 33.26 2dir s VAL 78 CO 0.01 0.39 0.05 0.68 -0.31 0.00 0.00 175.10 175.92 2dir s VAL 79 N -1.25 2.64 -0.01 1.32 -7.23 -0.51 -1.31 120.40 114.05 2dir s VAL 79 Ca 0.24 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2dir s VAL 79 Cb -0.12 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2dir s VAL 79 CO 0.15 -0.43 0.27 -0.70 -0.31 0.00 0.00 175.10 174.08 2dir s GLU 80 N 1.06 3.61 -0.31 4.82 2.12 -0.08 -0.31 118.70 129.59 2dir s GLU 80 Ca 0.04 -0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.26 2dir s GLU 80 Cb -0.20 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2dir s GLU 80 CO -0.05 0.67 0.14 0.42 -0.54 0.00 0.00 175.26 175.90 2dir s ILE 81 N -1.23 4.47 -0.35 -3.70 -1.09 -0.35 -1.12 121.20 117.83 2dir s ILE 81 Ca 0.25 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2dir s ILE 81 Cb -0.13 -3.31 0.11 0.00 -1.58 0.00 0.00 42.46 37.54 2dir s ILE 81 CO 0.14 0.03 0.12 -0.63 -1.23 0.00 0.00 174.94 173.37 2dir s ILE 82 N 1.58 1.29 -0.58 2.92 1.09 -1.09 -4.55 121.20 121.86 2dir s ILE 82 Ca 0.04 -1.86 -0.01 0.00 -1.10 0.00 0.00 60.65 57.72 2dir s ILE 82 Cb -0.17 -1.95 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 2dir s ILE 82 CO 0.05 -0.71 0.49 0.29 -0.10 0.00 0.00 174.94 174.97 2dir n LYS 83 N 4.43 -3.26 -3.20 2.79 5.02 -1.26 -3.31 118.16 119.36 2dir n LYS 83 Ca 0.02 0.40 -0.22 0.00 -2.02 0.00 0.00 58.31 56.48 2dir n LYS 83 Cb 0.40 -4.08 0.05 0.00 -0.02 0.00 0.00 35.03 31.38 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 -2.77 -1.04 -2.56 7.82 0.00 -1.26 -5.00 120.51 115.70 2dir n ALA 84 Ca -0.10 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 2dir n ALA 84 Cb 0.57 -4.34 -0.13 0.00 0.00 0.00 0.00 19.45 15.54 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 -3.21 1.48 -0.42 0.00 0.11 -1.21 -5.11 120.40 112.04 2dir s VAL 85 Ca 0.40 -1.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.03 2dir s VAL 85 Cb -0.17 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2dir s VAL 85 CO 0.49 0.05 0.47 0.00 -3.33 0.00 0.00 175.10 172.78 2dir s LEU 88 N 1.44 4.07 -0.18 0.00 1.02 -1.26 -0.91 118.68 122.86 2dir s LEU 88 Ca -0.01 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.45 2dir s LEU 88 Cb -0.19 -2.39 0.02 0.00 0.02 0.00 0.00 46.19 43.64 2dir s LEU 88 CO 0.04 -0.13 -0.18 -0.44 0.02 0.00 0.00 176.35 175.66 2dir s SER 89 N 1.46 3.27 -0.14 2.29 0.01 -0.42 -4.97 113.70 115.19 2dir s SER 89 Ca 0.15 -0.62 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 2dir s SER 89 Cb -0.15 -1.51 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2dir s SER 89 CO 0.09 0.00 0.18 -0.69 0.41 0.00 0.00 173.24 173.23 2dir s VAL 90 N 1.29 5.41 -0.08 3.43 1.01 -1.25 -1.90 120.40 128.31 2dir s VAL 90 Ca 0.05 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2dir s VAL 90 Cb -0.13 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dir s VAL 90 CO -0.11 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.73 2dir s VAL 91 N -0.35 0.95 -0.46 2.92 1.01 -0.60 -4.94 120.40 118.93 2dir s VAL 91 Ca 0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2dir s VAL 91 Cb -0.12 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.38 2dir s VAL 91 CO 0.03 0.33 0.51 -0.75 0.00 0.00 0.00 175.10 175.22 2dir s LYS 92 N 1.07 3.10 0.20 2.72 2.20 -1.26 -1.19 119.74 126.57 2dir s LYS 92 Ca -0.07 -0.86 0.10 0.00 -0.36 0.00 0.00 55.97 54.78 2dir s LYS 92 Cb -0.14 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 2dir s LYS 92 CO -0.01 -1.02 -0.17 0.45 -0.36 0.00 0.00 175.35 174.24 2dir s SER 93 N 2.24 3.82 -0.21 1.43 0.15 -1.16 -5.07 113.70 114.90 2dir s SER 93 Ca 0.13 -0.75 -0.28 0.00 0.70 0.00 0.00 55.95 55.75 2dir s SER 93 Cb -0.19 -0.47 0.13 0.00 -1.71 0.00 0.00 66.02 63.78 2dir s SER 93 CO 0.12 0.11 1.01 -0.83 1.20 0.00 0.00 173.24 174.85 2dir s GLY 94 N -2.82 -0.22 -0.06 9.45 0.00 -1.26 -4.68 107.32 107.74 2dir s GLY 94 Ca 0.23 2.28 -0.30 0.00 0.00 0.00 0.00 44.72 46.94 2dir s GLY 94 CO 0.13 1.34 1.49 2.56 0.00 0.00 0.00 173.10 178.62 2dir s PRO 95 N -0.60 4.22 -0.28 2.90 0.04 -1.26 -4.99 135.00 135.03 2dir s PRO 95 Ca 0.00 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 2dir s PRO 95 Cb -0.02 -3.79 0.12 0.00 0.04 0.00 0.00 34.50 30.84 2dir s PRO 95 CO -0.01 -0.73 0.95 0.45 0.04 0.00 0.00 177.00 177.70 2dir s SER 96 N 2.55 -0.54 -0.60 6.66 0.15 -1.26 -5.11 113.70 115.55 2dir s SER 96 Ca 0.66 0.99 0.04 0.00 0.70 0.00 0.00 55.95 58.35 2dir s SER 96 Cb -0.31 1.06 0.15 0.00 -1.71 0.00 0.00 66.02 65.22 2dir s SER 96 CO 0.25 -0.17 0.39 -0.55 1.20 0.00 0.00 173.24 174.36 2dir s SER 97 N 0.54 4.28 0.00 5.45 0.15 -1.26 -5.32 113.70 117.55 2dir s SER 97 Ca -0.00 -3.41 0.00 0.00 0.70 0.00 0.00 55.95 53.23 2dir s SER 97 Cb -0.05 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2dir s SER 97 CO -0.08 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.82