#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 2.03 -0.12 1.61 0.15 -1.26 -5.00 113.70 111.11 2dir s SER 2 Ca 0.00 1.30 -0.20 0.00 0.70 0.00 0.00 55.95 57.75 2dir s SER 2 Cb 0.00 -2.00 -0.26 0.00 -1.71 0.00 0.00 66.02 62.05 2dir s SER 2 CO 0.00 -3.52 0.57 0.77 1.20 0.00 0.00 173.24 172.26 2dir h SER 3 N -2.16 0.26 0.00 5.45 4.64 -2.10 -3.49 113.55 116.15 2dir h SER 3 Ca -0.57 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 59.92 2dir h SER 3 Cb 1.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dir h SER 3 CO 0.55 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 178.59 2dir n GLY 4 N 1.66 2.05 3.09 -0.77 0.00 -1.26 -4.98 105.19 104.98 2dir n GLY 4 Ca -0.23 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.35 2.62 1.00 1.61 0.01 -1.26 -5.12 113.70 112.21 2dir s SER 5 Ca 0.00 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 2dir s SER 5 Cb 0.00 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 65.05 2dir s SER 5 CO 0.00 0.04 -0.03 -1.20 0.41 0.00 0.00 173.24 172.45 2dir n SER 6 N 4.15 -2.89 -4.10 2.44 7.64 -1.26 -4.87 113.62 114.72 2dir n SER 6 Ca -0.19 0.17 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 2dir n SER 6 Cb 0.51 -1.02 0.07 0.00 -1.01 0.00 0.00 64.21 62.76 2dir n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dir n GLY 7 N 2.10 -3.32 2.74 0.23 0.00 -1.26 -5.00 105.19 100.68 2dir n GLY 7 Ca 0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.47 0.13 0.50 1.61 2.47 -1.26 -5.00 119.74 115.72 2dir s LYS 8 Ca 0.44 0.22 0.39 0.00 -1.56 0.00 0.00 55.97 55.45 2dir s LYS 8 Cb -0.07 -1.14 1.32 0.00 -1.46 0.00 0.00 37.83 36.48 2dir s LYS 8 CO 0.72 -0.59 1.30 0.00 0.16 0.00 0.00 175.35 176.94 2dir n ALA 9 N 5.31 1.45 0.13 3.13 0.00 -1.26 0.85 120.51 130.12 2dir n ALA 9 Ca -0.06 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 2dir n ALA 9 Cb 0.49 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 2dir n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dir h PHE 10 N 0.00 -0.35 0.17 0.00 3.04 -2.00 -3.14 116.94 114.66 2dir h PHE 10 Ca 0.72 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.65 2dir h PHE 10 Cb 3.11 0.12 0.00 0.00 2.56 0.00 0.00 35.95 41.74 2dir h PHE 10 CO 0.00 0.01 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.15 2dir h LEU 11 N -0.87 -0.19 -0.71 0.59 3.38 0.04 -3.16 115.31 114.39 2dir h LEU 11 Ca -0.04 -0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.00 2dir h LEU 11 Cb 0.51 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 2dir h LEU 11 CO 0.06 0.34 0.06 -1.84 0.09 0.00 0.00 178.44 177.15 2dir n GLU 12 N -4.91 -0.06 0.00 1.13 0.28 0.64 -1.02 120.64 116.70 2dir n GLU 12 Ca -0.05 1.06 0.00 0.00 -0.16 0.00 0.00 57.16 58.01 2dir n GLU 12 Cb 0.16 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.33 2dir n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dir n ASP 13 N -4.93 0.00 -0.24 -1.84 2.03 -1.19 -3.12 116.55 107.26 2dir n ASP 13 Ca 0.18 0.87 0.16 0.00 0.52 0.00 0.00 54.79 56.52 2dir n ASP 13 Cb 0.59 -0.48 0.31 0.00 -0.72 0.00 0.00 41.12 40.81 2dir n ASP 13 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2dir n MET 14 N -1.95 -0.05 0.04 -0.67 1.56 -0.19 -0.30 117.12 115.56 2dir n MET 14 Ca 0.00 1.02 -0.05 0.00 -0.27 0.00 0.00 57.70 58.40 2dir n MET 14 Cb 0.00 -1.72 -0.03 0.00 2.15 0.00 0.00 33.22 33.62 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 -0.22 -0.15 2.12 1.57 -1.18 0.71 116.57 119.42 2dir h LYS 15 Ca 0.51 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.34 2dir h LYS 15 Cb 1.22 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 2dir h LYS 15 CO -0.61 -0.15 -0.51 0.87 -0.57 0.00 0.00 179.45 178.48 2dir h LYS 16 N -0.23 -0.53 0.02 3.15 1.57 -0.60 -1.56 116.57 118.38 2dir h LYS 16 Ca -0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dir h LYS 16 Cb 0.22 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2dir h LYS 16 CO -0.07 -0.35 -0.03 -0.92 -0.57 0.00 0.00 179.45 177.51 2dir h TYR 17 N -0.55 -0.08 -1.47 -1.35 3.20 -1.30 -0.97 116.97 114.45 2dir h TYR 17 Ca 0.05 0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.35 2dir h TYR 17 Cb 0.67 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 2dir h TYR 17 CO -0.56 -0.03 1.20 0.00 -1.64 0.00 0.00 178.16 177.12 2dir n ALA 18 N -2.39 1.41 -0.06 1.82 0.00 0.25 -0.21 120.51 121.33 2dir n ALA 18 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2dir n ALA 18 Cb 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.45 0.00 0.08 0.00 2.13 -0.44 -0.85 120.64 118.11 2dir n GLU 19 Ca 0.33 0.47 0.05 0.00 0.66 0.00 0.00 57.16 58.67 2dir n GLU 19 Cb 1.63 -1.10 0.24 0.00 0.27 0.00 0.00 31.44 32.49 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 -1.92 1.29 -0.05 6.31 5.66 -0.15 0.69 114.28 126.11 2dir n THR 20 Ca 0.00 0.62 -0.21 0.00 -3.05 0.00 0.00 64.05 61.41 2dir n THR 20 Cb 0.00 -1.62 -0.13 0.00 -1.55 0.00 0.00 70.33 67.03 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 -1.79 0.83 1.07 1.09 7.35 0.71 -4.22 117.46 122.50 2dir n PHE 21 Ca -0.01 0.19 0.12 0.00 -0.76 0.00 0.00 57.45 56.99 2dir n PHE 21 Cb 0.11 -1.11 0.33 0.00 0.35 0.00 0.00 39.48 39.17 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 -3.51 2.24 0.09 -2.13 4.77 -0.03 -4.42 117.00 114.01 2dir n LEU 22 Ca -0.37 -0.86 -0.14 0.00 -0.03 0.00 0.00 56.01 54.60 2dir n LEU 22 Cb 1.00 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.92 2dir n LEU 22 CO 0.35 0.43 0.57 -0.33 -1.33 0.00 0.00 177.39 177.08 2dir h GLU 23 N 3.17 -0.62 0.00 3.23 5.08 0.09 1.27 114.58 126.79 2dir h GLU 23 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dir h GLU 23 Cb 0.69 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2dir h GLU 23 CO 0.00 -0.41 0.00 -0.35 -1.00 0.00 0.00 179.01 177.25 2dir n PRO 24 N -5.47 0.17 -0.03 2.33 -0.04 -1.26 0.33 135.00 131.03 2dir n PRO 24 Ca -0.07 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2dir n PRO 24 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.33 0.00 0.00 0.54 8.01 -0.02 -4.60 117.44 120.04 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 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 28.92 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 -2.24 0.00 -2.53 -5.99 3.72 0.42 -4.39 117.46 106.44 2dir n PHE 26 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 2dir n PHE 26 Cb 0.62 0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 39.16 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 -1.69 4.61 0.85 -1.08 2.20 0.98 -3.86 119.74 121.75 2dir s LYS 27 Ca 0.00 1.70 -0.17 0.00 -0.36 0.00 0.00 55.97 57.14 2dir s LYS 27 Cb 0.00 -3.28 -0.13 0.00 -1.51 0.00 0.00 37.83 32.91 2dir s LYS 27 CO 0.00 0.10 -0.47 0.00 -0.36 0.00 0.00 175.35 174.62 2dir n ALA 28 N 2.31 -4.44 0.82 3.13 0.00 -1.26 -2.19 120.51 118.87 2dir n ALA 28 Ca 0.02 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.05 2dir n ALA 28 Cb 0.46 -1.30 0.41 0.00 0.00 0.00 0.00 19.45 19.03 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 1.78 0.33 -2.67 0.00 -0.04 -1.26 -4.82 135.00 128.31 2dir n PRO 29 Ca 0.02 0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 2dir n PRO 29 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.32 6.75 -0.14 3.54 0.01 -0.93 -5.06 114.94 116.80 2dir s ASN 30 Ca 0.18 1.71 -0.34 0.00 -0.71 0.00 0.00 52.86 53.70 2dir s ASN 30 Cb 0.10 -2.54 0.13 0.00 0.41 0.00 0.00 41.25 39.36 2dir s ASN 30 CO 0.20 -0.49 1.19 -1.59 -1.51 0.00 0.00 177.10 174.90 2dir s LYS 31 N -3.38 0.38 0.00 -0.60 -2.85 -1.25 -3.84 119.74 108.20 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 -0.11 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2dir s LYS 31 CO 0.18 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.87 2dir n GLY 32 N -0.18 0.09 3.89 0.59 0.00 -1.26 -4.99 105.19 103.33 2dir n GLY 32 Ca -0.02 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.34 2.58 0.19 2.61 -4.23 -1.26 -1.42 115.64 110.77 2dir s THR 33 Ca 0.00 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 58.96 2dir s THR 33 Cb 0.00 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 71.01 2dir s THR 33 CO 0.00 0.00 0.97 0.72 -0.54 0.00 0.00 174.62 175.77 2dir s PHE 34 N -2.50 -0.04 -0.18 3.99 -0.71 -1.23 -2.08 117.98 115.24 2dir s PHE 34 Ca 0.48 -0.34 -0.04 0.00 -1.04 0.00 0.00 56.93 55.99 2dir s PHE 34 Cb -0.04 0.68 0.07 0.00 -1.21 0.00 0.00 43.02 42.53 2dir s PHE 34 CO 0.28 -0.93 0.16 1.14 -1.34 0.00 0.00 175.22 174.53 2dir s GLN 35 N -2.81 0.12 0.16 1.99 -2.07 -0.79 0.29 119.66 116.54 2dir s GLN 35 Ca 0.16 0.12 -0.25 0.00 -1.82 0.00 0.00 55.36 53.57 2dir s GLN 35 Cb -0.02 -1.37 -0.08 0.00 -1.09 0.00 0.00 33.01 30.45 2dir s GLN 35 CO 0.04 -0.63 0.77 0.42 -1.32 0.00 0.00 175.29 174.57 2dir s ILE 36 N 2.24 4.40 -0.03 3.63 1.01 -1.26 -2.43 121.20 128.77 2dir s ILE 36 Ca 0.05 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.37 2dir s ILE 36 Cb -0.15 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.22 2dir s ILE 36 CO -0.10 0.52 0.04 -0.69 0.00 0.00 0.00 174.94 174.71 2dir s VAL 37 N -1.09 -0.06 -0.59 2.92 1.01 -1.09 -5.00 120.40 116.50 2dir s VAL 37 Ca 0.36 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 2dir s VAL 37 Cb -0.23 -0.10 0.09 0.00 0.00 0.00 0.00 36.38 36.14 2dir s VAL 37 CO 0.26 0.09 0.74 -0.47 0.00 0.00 0.00 175.10 175.72 2dir s TYR 38 N 1.15 2.95 -0.21 5.22 6.14 -1.26 -1.49 117.35 129.85 2dir s TYR 38 Ca -0.08 -0.79 -0.05 0.00 0.64 0.00 0.00 57.07 56.79 2dir s TYR 38 Cb -0.13 -3.97 -0.02 0.00 0.42 0.00 0.00 41.96 38.26 2dir s TYR 38 CO -0.03 -1.31 -0.00 0.15 0.64 0.00 0.00 175.55 175.00 2dir s LYS 39 N 2.94 3.57 -0.01 4.97 1.02 -1.05 -5.01 119.74 126.18 2dir s LYS 39 Ca 0.14 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2dir s LYS 39 Cb -0.22 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2dir s LYS 39 CO 0.08 -0.05 -0.03 0.45 -0.92 0.00 0.00 175.35 174.89 2dir s SER 40 N 1.16 0.39 0.09 2.83 0.15 -1.26 -3.31 113.70 113.74 2dir s SER 40 Ca 0.03 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2dir s SER 40 Cb -0.14 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2dir s SER 40 CO 0.01 0.01 0.00 -1.14 1.20 0.00 0.00 173.24 173.32 2dir n ARG 41 N 3.26 0.00 0.01 5.44 3.00 -1.26 -4.92 116.66 122.18 2dir n ARG 41 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.68 2dir n ARG 41 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 32.46 32.79 2dir n ARG 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dir h ASN 42 N 0.00 -0.15 -4.66 6.15 2.35 -1.97 -3.46 115.58 113.83 2dir h ASN 42 Ca 0.00 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2dir h ASN 42 Cb 0.00 0.06 -0.18 0.00 0.05 0.00 0.00 38.32 38.25 2dir h ASN 42 CO 0.00 -0.05 0.38 0.20 -1.65 0.00 0.00 177.43 176.31 2dir s ASN 43 N -2.71 -0.48 0.00 5.81 -0.87 -1.26 -5.11 114.94 110.32 2dir s ASN 43 Ca -0.01 0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.56 2dir s ASN 43 Cb 0.01 0.44 0.00 0.00 -0.02 0.00 0.00 41.25 41.68 2dir s ASN 43 CO 0.06 -0.61 0.00 -1.54 -2.57 0.00 0.00 177.10 172.44 2dir n SER 44 N 0.28 0.00 -2.11 -1.22 3.41 -1.26 -4.88 113.62 107.83 2dir n SER 44 Ca -0.13 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.29 2dir n SER 44 Cb 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2dir n SER 44 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2dir n HIS 45 N -2.23 -0.86 -3.63 7.33 8.25 -1.26 -4.97 115.22 117.85 2dir n HIS 45 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2dir n HIS 45 Cb 0.00 -3.65 -0.07 0.00 1.12 0.00 0.00 29.99 27.39 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dir s VAL 46 N -2.93 0.00 0.33 1.59 0.11 -1.26 -5.14 120.40 113.10 2dir s VAL 46 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2dir s VAL 46 Cb 0.00 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 2dir s VAL 46 CO 0.00 0.00 0.99 0.59 -3.33 0.00 0.00 175.10 173.35 2dir n ASN 47 N 3.15 1.19 -0.03 3.54 3.02 -1.26 -4.91 115.26 119.96 2dir n ASN 47 Ca -0.16 1.13 -0.06 0.00 -0.03 0.00 0.00 54.58 55.46 2dir n ASN 47 Cb 0.56 -1.30 -0.13 0.00 -0.61 0.00 0.00 39.78 38.31 2dir n ASN 47 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2dir n ARG 48 N 0.58 0.64 -0.04 3.52 1.85 -1.26 -4.06 116.66 117.89 2dir n ARG 48 Ca 0.09 0.19 -0.09 0.00 -1.00 0.00 0.00 57.85 57.04 2dir n ARG 48 Cb 0.34 -1.72 -0.03 0.00 -1.05 0.00 0.00 32.46 30.00 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 0.00 0.22 -0.40 2.89 5.08 -1.99 -0.24 114.58 120.15 2dir h GLU 49 Ca -0.31 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2dir h GLU 49 Cb 1.92 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 2dir h GLU 49 CO 0.06 0.15 0.21 1.05 -1.00 0.00 0.00 179.01 179.47 2dir h GLU 50 N 0.23 0.41 -0.02 2.33 4.11 -1.98 0.13 114.58 119.78 2dir h GLU 50 Ca 0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2dir h GLU 50 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2dir h GLU 50 CO -0.05 0.27 0.01 0.28 0.07 0.00 0.00 179.01 179.60 2dir h VAL 51 N 0.42 1.03 0.00 -1.06 2.07 -1.64 -1.59 116.25 115.48 2dir h VAL 51 Ca 0.17 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2dir h VAL 51 Cb 0.06 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2dir h VAL 51 CO -0.11 0.03 0.00 -0.38 0.02 0.00 0.00 177.57 177.13 2dir n ILE 52 N -5.06 0.00 -0.30 4.57 5.41 -0.13 -1.34 119.36 122.51 2dir n ILE 52 Ca -0.07 1.13 0.04 0.00 1.00 0.00 0.00 62.75 64.85 2dir n ILE 52 Cb 0.04 -2.06 0.11 0.00 -0.71 0.00 0.00 39.64 37.02 2dir n ILE 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2dir n ARG 53 N -1.56 -0.09 0.20 0.38 5.12 0.43 -0.90 116.66 120.24 2dir n ARG 53 Ca 0.00 1.29 -0.09 0.00 -1.93 0.00 0.00 57.85 57.12 2dir n ARG 53 Cb 0.00 -1.92 -0.05 0.00 -1.16 0.00 0.00 32.46 29.33 2dir n ARG 53 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2dir h GLU 54 N 0.00 -0.55 -0.86 5.56 4.57 -1.33 -0.69 114.58 121.28 2dir h GLU 54 Ca 0.38 0.04 0.36 0.00 -1.18 0.00 0.00 59.36 58.96 2dir h GLU 54 Cb 0.59 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 29.15 2dir h GLU 54 CO -0.85 -0.36 0.47 1.28 -1.18 0.00 0.00 179.01 178.36 2dir n LEU 55 N -3.75 0.29 -0.03 1.64 4.77 -0.07 0.12 117.00 119.97 2dir n LEU 55 Ca -0.07 1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 57.18 2dir n LEU 55 Cb 0.24 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 2dir n LEU 55 CO 0.16 -1.57 0.57 0.00 -1.33 0.00 0.00 177.39 175.22 2dir h ALA 56 N 1.69 0.04 -1.02 -1.18 0.00 -0.93 -3.07 119.26 114.78 2dir h ALA 56 Ca 0.72 -0.31 0.29 0.00 0.00 0.00 0.00 54.91 55.61 2dir h ALA 56 Cb 1.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 2dir h ALA 56 CO -0.65 -0.12 0.73 0.78 0.00 0.00 0.00 179.25 180.00 2dir h GLY 57 N -0.46 0.03 0.31 0.00 0.00 0.25 -1.40 103.07 101.80 2dir h GLY 57 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2dir h GLY 57 CO 0.01 -0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.28 2dir h ILE 58 N 0.01 1.00 -0.87 2.60 2.04 -1.33 -3.27 117.51 117.69 2dir h ILE 58 Ca 0.49 -1.30 0.13 0.00 1.00 0.00 0.00 64.86 65.18 2dir h ILE 58 Cb 1.93 1.72 -0.14 0.00 -0.74 0.00 0.00 36.82 39.59 2dir h ILE 58 CO -0.01 0.27 -0.34 0.52 0.00 0.00 0.00 178.15 178.59 2dir n VAL 59 N -4.86 -0.45 -0.24 1.67 0.31 -0.54 0.22 118.33 114.44 2dir n VAL 59 Ca -0.08 2.03 0.11 0.00 -0.01 0.00 0.00 64.34 66.40 2dir n VAL 59 Cb 0.28 -2.68 0.39 0.00 -0.91 0.00 0.00 33.84 30.92 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 0.67 0.59 0.03 0.00 2.02 0.27 -3.14 112.91 113.36 2dir h THR 61 Ca 0.41 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 2dir h THR 61 Cb 0.65 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2dir h THR 61 CO -0.17 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.63 2dir h LEU 62 N 0.00 -0.04 -7.78 2.58 3.38 -0.50 -3.46 115.31 109.50 2dir h LEU 62 Ca 0.04 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 2dir h LEU 62 Cb 0.22 0.01 -0.36 0.00 0.09 0.00 0.00 40.66 40.62 2dir h LEU 62 CO -0.00 0.04 -0.81 0.21 0.09 0.00 0.00 178.44 177.96 2dir s ASN 63 N -3.17 2.22 0.62 -0.43 3.84 -1.17 -4.67 114.94 112.18 2dir s ASN 63 Ca -0.01 -0.34 0.31 0.00 0.21 0.00 0.00 52.86 53.04 2dir s ASN 63 Cb 0.00 -0.90 1.68 0.00 -0.55 0.00 0.00 41.25 41.48 2dir s ASN 63 CO 0.02 -0.09 2.02 -1.28 -2.79 0.00 0.00 177.10 174.98 2dir h SER 64 N 7.99 0.00 0.78 -4.21 0.87 -1.89 0.35 113.55 117.44 2dir h SER 64 Ca -0.31 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 2dir h SER 64 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2dir h SER 64 CO 0.44 0.00 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.17 2dir h GLU 65 N 0.00 0.00 -6.67 2.24 4.39 -1.94 -3.44 114.58 109.16 2dir h GLU 65 Ca 0.08 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.25 2dir h GLU 65 Cb 0.66 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.37 2dir h GLU 65 CO -0.00 0.24 0.87 -0.80 -1.16 0.00 0.00 179.01 178.15 2dir s ASN 66 N -6.24 6.55 -0.21 1.42 0.01 0.12 -4.40 114.94 112.19 2dir s ASN 66 Ca -0.00 2.70 -0.04 0.00 -0.71 0.00 0.00 52.86 54.81 2dir s ASN 66 Cb 0.11 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.25 2dir s ASN 66 CO 0.64 -0.83 0.17 -0.54 -1.51 0.00 0.00 177.10 175.03 2dir s LYS 67 N 0.59 0.15 -0.09 -0.60 1.02 -0.51 -4.75 119.74 115.55 2dir s LYS 67 Ca 0.67 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 56.36 2dir s LYS 67 Cb -0.45 -1.38 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 2dir s LYS 67 CO 0.36 -0.73 1.75 0.54 -0.92 0.00 0.00 175.35 176.35 2dir s VAL 68 N 2.24 3.47 0.08 3.17 0.11 -1.26 -3.51 120.40 124.69 2dir s VAL 68 Ca 0.06 0.55 0.07 0.00 -2.93 0.00 0.00 61.98 59.72 2dir s VAL 68 Cb -0.16 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2dir s VAL 68 CO -0.15 -0.10 -0.18 -0.62 -3.33 0.00 0.00 175.10 170.72 2dir s ASP 69 N 4.15 2.15 0.00 3.54 -1.08 0.14 -4.85 116.67 120.72 2dir s ASP 69 Ca 0.78 -0.63 0.07 0.00 -0.52 0.00 0.00 52.55 52.25 2dir s ASP 69 Cb -0.33 -0.11 0.12 0.00 -1.46 0.00 0.00 42.92 41.14 2dir s ASP 69 CO 0.32 0.01 0.92 0.18 0.52 0.00 0.00 175.17 177.13 2dir n LEU 70 N 1.28 2.04 -0.11 -1.34 4.77 -1.26 -3.68 117.00 118.70 2dir n LEU 70 Ca -0.20 -1.46 -0.22 0.00 -0.03 0.00 0.00 56.01 54.10 2dir n LEU 70 Cb 0.54 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2dir n LEU 70 CO 0.22 0.47 -1.16 0.41 -1.33 0.00 0.00 177.39 176.01 2dir n THR 71 N 0.27 1.33 -2.86 -5.08 -1.04 -1.26 -4.80 114.28 100.85 2dir n THR 71 Ca 0.06 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.05 61.65 2dir n THR 71 Cb 0.26 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.85 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 -4.12 2.59 -4.77 8.00 3.02 -1.26 -5.10 115.26 113.62 2dir n ASN 72 Ca -0.39 -3.23 -0.38 0.00 -0.03 0.00 0.00 54.58 50.55 2dir n ASN 72 Cb 0.75 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.07 4.03 -0.17 3.52 0.04 -1.26 -4.88 135.00 133.22 2dir s PRO 73 Ca 0.40 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 2dir s PRO 73 Cb 0.37 -2.68 -0.23 0.00 0.04 0.00 0.00 34.50 32.00 2dir s PRO 73 CO -0.08 -0.35 0.17 1.04 0.04 0.00 0.00 177.00 177.81 2dir n GLN 74 N 0.07 0.72 -4.51 4.56 6.02 -1.10 -4.84 117.38 118.29 2dir n GLN 74 Ca 0.04 0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.96 2dir n GLN 74 Cb 0.46 -1.65 -0.17 0.00 1.02 0.00 0.00 30.24 29.91 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2dir s TYR 75 N -2.54 2.28 -0.43 1.08 1.51 -0.89 -2.83 117.35 115.53 2dir s TYR 75 Ca -0.27 -1.13 -0.18 0.00 -1.01 0.00 0.00 57.07 54.49 2dir s TYR 75 Cb 0.07 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2dir s TYR 75 CO 0.71 -0.55 0.48 0.99 -1.11 0.00 0.00 175.55 176.06 2dir s THR 76 N 0.95 5.04 -0.53 -0.71 2.01 -0.21 -1.88 115.64 120.32 2dir s THR 76 Ca -0.06 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 2dir s THR 76 Cb -0.15 -4.09 0.12 0.00 0.01 0.00 0.00 72.50 68.40 2dir s THR 76 CO -0.02 -0.49 0.48 0.68 -0.69 0.00 0.00 174.62 174.58 2dir s VAL 77 N 2.24 5.17 -0.05 3.82 -7.23 -1.02 -1.16 120.40 122.17 2dir s VAL 77 Ca 0.13 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.75 2dir s VAL 77 Cb -0.17 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.43 2dir s VAL 77 CO 0.14 -0.83 0.27 0.68 -0.31 0.00 0.00 175.10 175.05 2dir s VAL 78 N 1.60 5.29 -0.37 1.32 -7.23 -0.45 -2.66 120.40 117.89 2dir s VAL 78 Ca 0.03 0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 60.65 2dir s VAL 78 Cb -0.29 -3.55 0.10 0.00 0.56 0.00 0.00 36.38 33.20 2dir s VAL 78 CO 0.03 0.57 0.13 0.68 -0.31 0.00 0.00 175.10 176.20 2dir s VAL 79 N -1.09 3.00 0.13 1.32 -7.23 -0.55 -0.32 120.40 115.66 2dir s VAL 79 Ca 0.20 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 2dir s VAL 79 Cb -0.14 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 2dir s VAL 79 CO 0.09 -0.55 0.36 -0.70 -0.31 0.00 0.00 175.10 174.00 2dir s GLU 80 N 1.11 3.61 -0.48 4.82 2.12 0.50 -2.52 118.70 127.86 2dir s GLU 80 Ca 0.06 -0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.17 2dir s GLU 80 Cb -0.21 -2.88 0.11 0.00 0.26 0.00 0.00 34.13 31.41 2dir s GLU 80 CO -0.04 0.49 0.38 0.42 -0.54 0.00 0.00 175.26 175.96 2dir s ILE 81 N -1.62 4.59 -0.11 -3.70 -1.09 -1.21 -0.56 121.20 117.50 2dir s ILE 81 Ca 0.40 -1.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.27 2dir s ILE 81 Cb -0.12 -3.94 0.01 0.00 -1.58 0.00 0.00 42.46 36.82 2dir s ILE 81 CO 0.24 -0.74 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.38 2dir s ILE 82 N 1.47 1.86 -1.53 2.92 1.09 -0.94 -4.61 121.20 121.46 2dir s ILE 82 Ca 0.04 -0.88 -0.05 0.00 -1.10 0.00 0.00 60.65 58.66 2dir s ILE 82 Cb -0.27 -1.64 0.01 0.00 -1.06 0.00 0.00 42.46 39.51 2dir s ILE 82 CO 0.01 0.51 0.60 0.29 -0.10 0.00 0.00 174.94 176.26 2dir n LYS 83 N 3.87 -4.75 -2.09 2.79 5.02 -1.26 -1.05 118.16 120.68 2dir n LYS 83 Ca -0.20 0.86 -0.19 0.00 -2.02 0.00 0.00 58.31 56.76 2dir n LYS 83 Cb 0.52 -5.71 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.57 -0.47 -2.51 7.82 0.00 -1.26 -4.98 120.51 115.54 2dir n ALA 84 Ca -0.10 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2dir n ALA 84 Cb 0.61 -2.01 -0.15 0.00 0.00 0.00 0.00 19.45 17.90 2dir n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dir s VAL 85 N -2.87 1.41 -0.22 0.00 1.01 -0.22 -5.10 120.40 114.41 2dir s VAL 85 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2dir s VAL 85 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2dir s VAL 85 CO 0.00 0.29 1.44 0.00 0.00 0.00 0.00 175.10 176.83 2dir s LEU 88 N 1.27 4.17 -0.15 0.00 1.02 -1.26 -0.37 118.68 123.36 2dir s LEU 88 Ca 0.00 0.73 0.01 0.00 0.02 0.00 0.00 54.13 54.90 2dir s LEU 88 Cb -0.21 -2.74 0.02 0.00 0.02 0.00 0.00 46.19 43.28 2dir s LEU 88 CO -0.01 -0.16 -0.19 -0.44 0.02 0.00 0.00 176.35 175.57 2dir s SER 89 N 1.05 2.98 -0.08 2.29 0.01 0.57 -4.98 113.70 115.54 2dir s SER 89 Ca 0.25 -0.59 -0.14 0.00 1.31 0.00 0.00 55.95 56.78 2dir s SER 89 Cb -0.15 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.65 2dir s SER 89 CO 0.10 0.02 0.36 -0.69 0.41 0.00 0.00 173.24 173.44 2dir s VAL 90 N 1.14 5.19 -0.17 3.43 1.01 -1.26 -1.34 120.40 128.40 2dir s VAL 90 Ca -0.00 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2dir s VAL 90 Cb -0.14 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.62 2dir s VAL 90 CO -0.08 0.48 0.03 -0.69 0.00 0.00 0.00 175.10 174.85 2dir s VAL 91 N -0.33 0.43 -0.39 2.92 1.01 -0.31 -4.98 120.40 118.74 2dir s VAL 91 Ca 0.21 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2dir s VAL 91 Cb -0.15 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2dir s VAL 91 CO 0.09 -0.12 0.99 -0.75 0.00 0.00 0.00 175.10 175.31 2dir s LYS 92 N 1.91 3.82 -0.06 2.72 2.20 -1.26 -1.04 119.74 128.03 2dir s LYS 92 Ca 0.01 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.23 2dir s LYS 92 Cb -0.16 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 2dir s LYS 92 CO -0.07 -1.06 -0.08 0.45 -0.36 0.00 0.00 175.35 174.23 2dir s SER 93 N 2.00 1.34 0.00 1.43 0.15 -1.13 -5.02 113.70 112.47 2dir s SER 93 Ca 0.41 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dir s SER 93 Cb -0.11 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2dir s SER 93 CO 0.22 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dir n GLY 94 N 4.02 -1.55 3.60 9.45 0.00 -1.26 -4.58 105.19 114.87 2dir n GLY 94 Ca -0.23 0.97 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2dir n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dir s PRO 95 N 0.00 3.46 0.12 1.61 0.04 -1.26 -4.91 135.00 134.06 2dir s PRO 95 Ca 0.00 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 2dir s PRO 95 Cb 0.00 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2dir s PRO 95 CO 0.00 -1.70 1.31 0.45 0.04 0.00 0.00 177.00 177.10 2dir n SER 96 N 9.67 -0.77 -3.52 6.66 2.88 -1.26 -4.79 113.62 122.49 2dir n SER 96 Ca 0.21 1.49 -0.09 0.00 -1.33 0.00 0.00 58.87 59.14 2dir n SER 96 Cb 0.47 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 2dir n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dir s SER 97 N -4.93 -0.42 0.00 -3.46 1.04 -1.26 -5.35 113.70 99.31 2dir s SER 97 Ca -0.09 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.32 2dir s SER 97 Cb 0.08 0.50 0.35 0.00 0.10 0.00 0.00 66.02 67.06 2dir s SER 97 CO 0.45 -0.84 0.82 0.61 0.98 0.00 0.00 173.24 175.26