#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 7.54 0.28 1.61 0.15 -1.26 -4.94 113.70 117.08 2dir s SER 2 Ca 0.00 1.83 -0.02 0.00 0.70 0.00 0.00 55.95 58.45 2dir s SER 2 Cb 0.00 -2.58 0.60 0.00 -1.71 0.00 0.00 66.02 62.32 2dir s SER 2 CO 0.00 0.06 1.49 -1.20 1.20 0.00 0.00 173.24 174.78 2dir n SER 3 N 2.14 -0.22 0.00 5.45 7.64 -1.26 -4.91 113.62 122.46 2dir n SER 3 Ca -0.00 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.50 2dir n SER 3 Cb 0.48 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2dir n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dir n GLY 4 N -1.53 0.15 3.80 0.23 0.00 -1.26 -5.05 105.19 101.52 2dir n GLY 4 Ca 0.19 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.00 6.47 0.45 1.61 1.04 -1.26 -5.07 113.70 112.94 2dir s SER 5 Ca 0.00 1.92 0.03 0.00 0.48 0.00 0.00 55.95 58.38 2dir s SER 5 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2dir s SER 5 CO 0.00 -0.69 0.03 -0.44 0.98 0.00 0.00 173.24 173.12 2dir s SER 6 N -1.94 3.69 -0.27 7.02 0.01 -1.26 -5.14 113.70 115.82 2dir s SER 6 Ca 0.65 -1.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2dir s SER 6 Cb -0.16 0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.37 2dir s SER 6 CO 0.20 -0.73 0.09 -0.83 0.41 0.00 0.00 173.24 172.38 2dir s GLY 7 N -3.75 0.79 -0.23 3.44 0.00 -1.26 -5.08 107.32 101.22 2dir s GLY 7 Ca 0.19 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 2dir s GLY 7 CO 0.10 1.71 0.10 0.54 0.00 0.00 0.00 173.10 175.55 2dir s LYS 8 N 1.84 0.28 0.11 2.90 1.02 -1.26 -5.04 119.74 119.58 2dir s LYS 8 Ca 0.07 -0.41 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 2dir s LYS 8 Cb -0.17 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 2dir s LYS 8 CO -0.24 -0.83 1.16 0.00 -0.92 0.00 0.00 175.35 174.52 2dir n ALA 9 N 5.18 -0.44 -0.25 5.17 0.00 -1.26 0.10 120.51 129.03 2dir n ALA 9 Ca -0.06 0.58 0.17 0.00 0.00 0.00 0.00 53.44 54.12 2dir n ALA 9 Cb 0.45 -0.04 0.32 0.00 0.00 0.00 0.00 19.45 20.18 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 -4.68 0.66 -0.05 0.00 -0.00 -1.26 0.20 117.46 112.32 2dir n PHE 10 Ca 0.01 0.88 -0.10 0.00 -0.00 0.00 0.00 57.45 58.24 2dir n PHE 10 Cb 0.18 -1.17 -0.09 0.00 -0.00 0.00 0.00 39.48 38.39 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 -0.02 -0.57 -2.13 3.38 0.26 -3.21 115.31 113.03 2dir h LEU 11 Ca 0.53 -0.69 0.11 0.00 0.09 0.00 0.00 57.88 57.92 2dir h LEU 11 Cb 1.27 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 2dir h LEU 11 CO -0.63 0.81 -0.27 -0.33 0.09 0.00 0.00 178.44 178.11 2dir h GLU 12 N -0.97 -0.12 -0.05 1.13 4.39 0.13 0.89 114.58 119.99 2dir h GLU 12 Ca -0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dir h GLU 12 Cb 0.71 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2dir h GLU 12 CO 0.00 -0.08 0.07 0.22 -1.16 0.00 0.00 179.01 178.07 2dir h ASP 13 N -0.12 0.00 0.00 1.42 1.82 -0.67 -0.55 116.42 118.31 2dir h ASP 13 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2dir h ASP 13 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2dir h ASP 13 CO -0.65 0.00 -0.12 -0.03 -1.61 0.00 0.00 179.24 176.83 2dir h MET 14 N 0.00 0.00 -0.75 0.28 4.05 0.59 -3.30 114.93 115.80 2dir h MET 14 Ca 0.02 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.61 2dir h MET 14 Cb 0.17 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.85 2dir h MET 14 CO -0.00 0.00 0.20 1.57 0.23 0.00 0.00 176.91 178.91 2dir h LYS 15 N -0.68 0.27 -0.82 0.39 2.10 -0.34 0.45 116.57 117.95 2dir h LYS 15 Ca 0.00 -0.02 0.17 0.00 -2.00 0.00 0.00 60.65 58.80 2dir h LYS 15 Cb 0.12 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.34 2dir h LYS 15 CO 0.00 0.18 0.54 0.87 -2.00 0.00 0.00 179.45 179.04 2dir h LYS 16 N 0.28 0.40 0.00 0.07 1.57 -1.27 -0.97 116.57 116.65 2dir h LYS 16 Ca 0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2dir h LYS 16 Cb 0.74 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2dir h LYS 16 CO -0.52 0.26 -0.26 -0.92 -0.57 0.00 0.00 179.45 177.45 2dir h TYR 17 N 0.41 0.00 -1.52 -1.35 3.20 -0.43 -3.28 116.97 114.01 2dir h TYR 17 Ca 0.41 0.00 0.49 0.00 3.14 0.00 0.00 58.73 62.77 2dir h TYR 17 Cb 0.98 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.14 2dir h TYR 17 CO -0.00 0.00 1.03 0.00 -1.64 0.00 0.00 178.16 177.55 2dir n ALA 18 N -3.00 1.48 0.04 1.82 0.00 0.12 0.55 120.51 121.51 2dir n ALA 18 Ca -0.04 0.75 -0.02 0.00 0.00 0.00 0.00 53.44 54.14 2dir n ALA 18 Cb 0.13 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 2dir n ALA 18 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dir h GLU 19 N 0.00 -0.10 0.00 0.00 4.57 -1.34 0.42 114.58 118.12 2dir h GLU 19 Ca 0.86 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 59.05 2dir h GLU 19 Cb 3.03 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 31.64 2dir h GLU 19 CO -0.29 -0.07 0.01 -2.37 -1.18 0.00 0.00 179.01 175.11 2dir n THR 20 N -2.52 1.20 -0.04 0.32 5.66 -0.22 0.57 114.28 119.24 2dir n THR 20 Ca -0.01 0.70 -0.17 0.00 -3.05 0.00 0.00 64.05 61.51 2dir n THR 20 Cb 0.04 -1.70 -0.14 0.00 -1.55 0.00 0.00 70.33 66.99 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 -2.11 0.77 1.26 1.09 7.35 0.19 -4.19 117.46 121.83 2dir n PHE 21 Ca -0.01 0.19 0.13 0.00 -0.76 0.00 0.00 57.45 57.00 2dir n PHE 21 Cb 0.04 -1.11 0.33 0.00 0.35 0.00 0.00 39.48 39.09 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 -3.27 1.55 -0.21 -2.13 4.77 0.15 -4.42 117.00 113.44 2dir n LEU 22 Ca -0.33 -0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 55.05 2dir n LEU 22 Cb 1.05 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 2dir n LEU 22 CO 0.39 0.27 0.54 -0.33 -1.33 0.00 0.00 177.39 176.93 2dir h GLU 23 N 2.16 -0.25 0.00 3.23 5.08 -0.04 1.52 114.58 126.28 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 0.60 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dir h GLU 23 CO 0.00 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.50 2dir n PRO 24 N -5.38 0.16 -0.01 2.33 -0.04 -1.26 0.34 135.00 131.14 2dir n PRO 24 Ca 0.00 0.17 0.08 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 32.18 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 -1.33 0.00 0.00 0.54 8.01 0.24 -4.60 117.44 120.30 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 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 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 -2.04 0.00 -2.55 -5.99 3.72 0.45 -4.44 117.46 106.62 2dir n PHE 26 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2dir n PHE 26 Cb 0.41 0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.57 4.58 0.91 -1.08 2.20 1.02 -3.95 119.74 121.85 2dir s LYS 27 Ca 0.00 1.66 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 2dir s LYS 27 Cb 0.00 -3.32 -0.13 0.00 -1.51 0.00 0.00 37.83 32.87 2dir s LYS 27 CO 0.00 0.02 -0.53 0.00 -0.36 0.00 0.00 175.35 174.48 2dir n ALA 28 N 2.86 -4.69 0.87 3.13 0.00 -1.26 -2.32 120.51 119.09 2dir n ALA 28 Ca 0.04 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 52.99 2dir n ALA 28 Cb 0.47 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 19.07 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 1.79 0.38 -2.93 0.00 -0.04 -1.26 -4.82 135.00 128.11 2dir n PRO 29 Ca 0.01 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 2dir n PRO 29 Cb 0.54 -1.50 -0.07 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 -2.22 6.93 0.05 3.54 0.01 -0.98 -5.06 114.94 117.21 2dir s ASN 30 Ca 0.20 1.56 -0.28 0.00 -0.71 0.00 0.00 52.86 53.62 2dir s ASN 30 Cb 0.10 -2.48 0.10 0.00 0.41 0.00 0.00 41.25 39.38 2dir s ASN 30 CO 0.20 -0.26 1.17 -1.59 -1.51 0.00 0.00 177.10 175.11 2dir s LYS 31 N -2.95 0.69 0.00 -0.60 -2.85 -1.25 -3.72 119.74 109.06 2dir s LYS 31 Ca 0.57 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 2dir s LYS 31 Cb -0.11 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2dir s LYS 31 CO 0.16 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.70 2dir n GLY 32 N -0.49 0.53 3.88 0.59 0.00 -1.26 -4.98 105.19 103.45 2dir n GLY 32 Ca -0.07 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.42 2.56 0.14 2.61 -4.23 -1.26 -1.40 115.64 110.65 2dir s THR 33 Ca 0.00 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 2dir s THR 33 Cb 0.00 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 71.00 2dir s THR 33 CO 0.00 0.00 1.01 0.72 -0.54 0.00 0.00 174.62 175.81 2dir s PHE 34 N -2.51 -0.09 -0.14 3.99 -0.71 -1.23 -2.19 117.98 115.10 2dir s PHE 34 Ca 0.47 -0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 56.13 2dir s PHE 34 Cb -0.03 0.64 0.05 0.00 -1.21 0.00 0.00 43.02 42.47 2dir s PHE 34 CO 0.27 -0.78 0.04 1.14 -1.34 0.00 0.00 175.22 174.55 2dir s GLN 35 N -3.04 0.47 0.13 1.99 -2.07 0.34 0.11 119.66 117.61 2dir s GLN 35 Ca 0.14 -0.15 -0.25 0.00 -1.82 0.00 0.00 55.36 53.27 2dir s GLN 35 Cb -0.01 -1.63 -0.07 0.00 -1.09 0.00 0.00 33.01 30.21 2dir s GLN 35 CO 0.02 -0.53 0.78 0.42 -1.32 0.00 0.00 175.29 174.66 2dir s ILE 36 N 1.97 4.46 -0.06 3.63 1.01 -1.26 -2.18 121.20 128.78 2dir s ILE 36 Ca 0.02 1.69 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 2dir s ILE 36 Cb -0.15 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.22 2dir s ILE 36 CO -0.07 0.48 0.11 -0.69 0.00 0.00 0.00 174.94 174.76 2dir s VAL 37 N -0.84 -0.12 -0.49 2.92 1.01 -0.86 -4.98 120.40 117.04 2dir s VAL 37 Ca 0.37 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 2dir s VAL 37 Cb -0.22 -0.20 0.08 0.00 0.00 0.00 0.00 36.38 36.03 2dir s VAL 37 CO 0.25 0.12 0.47 -0.47 0.00 0.00 0.00 175.10 175.48 2dir s TYR 38 N 1.68 3.19 -0.39 5.22 5.04 -1.26 -0.98 117.35 129.84 2dir s TYR 38 Ca -0.03 -0.87 -0.11 0.00 -2.44 0.00 0.00 57.07 53.62 2dir s TYR 38 Cb -0.12 -3.36 0.04 0.00 0.35 0.00 0.00 41.96 38.87 2dir s TYR 38 CO -0.05 -0.90 0.23 0.15 -1.34 0.00 0.00 175.55 173.64 2dir s LYS 39 N 1.92 2.80 0.11 4.97 1.02 -1.07 -4.97 119.74 124.53 2dir s LYS 39 Ca 0.07 -1.15 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 2dir s LYS 39 Cb -0.24 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2dir s LYS 39 CO 0.08 -0.76 0.07 -1.54 -0.92 0.00 0.00 175.35 172.28 2dir s SER 40 N 1.68 0.30 -0.11 2.83 1.04 -1.26 -3.14 113.70 115.05 2dir s SER 40 Ca 0.02 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.19 2dir s SER 40 Cb -0.20 0.29 -0.27 0.00 0.10 0.00 0.00 66.02 65.95 2dir s SER 40 CO 0.06 -0.72 0.56 0.03 0.98 0.00 0.00 173.24 174.16 2dir h ARG 41 N 2.88 0.20 -1.87 4.02 3.08 -1.97 -3.48 114.38 117.24 2dir h ARG 41 Ca -0.34 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.41 2dir h ARG 41 Cb 1.19 0.13 -0.23 0.00 0.08 0.00 0.00 29.97 31.14 2dir h ARG 41 CO 0.59 1.17 0.11 1.21 -1.07 0.00 0.00 179.97 181.97 2dir s ASN 42 N -6.94 -0.84 -0.53 7.04 3.84 -1.26 -5.12 114.94 111.12 2dir s ASN 42 Ca -0.20 1.34 -0.27 0.00 0.21 0.00 0.00 52.86 53.93 2dir s ASN 42 Cb 0.04 1.38 0.03 0.00 -0.55 0.00 0.00 41.25 42.15 2dir s ASN 42 CO 0.75 -0.21 1.09 0.54 -2.79 0.00 0.00 177.10 176.48 2dir s ASN 43 N 1.62 6.49 -0.22 -4.21 4.22 -1.26 -4.87 114.94 116.70 2dir s ASN 43 Ca -0.10 0.12 -0.19 0.00 -2.14 0.00 0.00 52.86 50.56 2dir s ASN 43 Cb -0.05 -2.52 -0.17 0.00 1.28 0.00 0.00 41.25 39.80 2dir s ASN 43 CO -0.19 -1.31 0.06 -1.20 -2.04 0.00 0.00 177.10 172.43 2dir n SER 44 N 7.91 1.88 0.00 3.54 7.64 -1.26 -4.86 113.62 128.47 2dir n SER 44 Ca 0.08 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2dir n SER 44 Cb 0.49 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2dir n SER 44 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2dir n HIS 45 N -4.40 0.00 -2.77 1.43 -0.00 -1.26 -5.05 115.22 103.17 2dir n HIS 45 Ca -0.35 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 56.96 2dir n HIS 45 Cb 0.70 0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.67 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2dir s VAL 46 N -1.96 4.23 0.66 3.57 0.11 -1.26 -5.06 120.40 120.69 2dir s VAL 46 Ca 0.00 2.04 -0.03 0.00 -2.93 0.00 0.00 61.98 61.06 2dir s VAL 46 Cb 0.00 -4.31 0.06 0.00 -1.53 0.00 0.00 36.38 30.60 2dir s VAL 46 CO 0.00 0.45 0.93 0.20 -3.33 0.00 0.00 175.10 173.35 2dir s ASN 47 N -0.83 4.89 -0.06 3.54 -0.87 -1.26 -4.69 114.94 115.67 2dir s ASN 47 Ca 0.42 0.20 -0.12 0.00 -1.57 0.00 0.00 52.86 51.79 2dir s ASN 47 Cb -0.25 -0.89 -0.30 0.00 -0.02 0.00 0.00 41.25 39.78 2dir s ASN 47 CO 0.31 -1.49 0.65 -0.09 -2.57 0.00 0.00 177.10 173.91 2dir h ARG 48 N -0.38 0.37 0.30 -0.60 2.43 -1.99 -3.35 114.38 111.17 2dir h ARG 48 Ca -0.43 -0.64 -0.01 0.00 -0.81 0.00 0.00 59.98 58.09 2dir h ARG 48 Cb 1.30 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2dir h ARG 48 CO 0.55 1.31 -0.15 0.93 -1.51 0.00 0.00 179.97 181.10 2dir h GLU 49 N 0.04 -0.39 -0.79 0.20 5.08 -1.97 -2.48 114.58 114.26 2dir h GLU 49 Ca -0.34 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.24 2dir h GLU 49 Cb 2.04 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 31.23 2dir h GLU 49 CO 0.16 -0.09 -0.06 0.39 -1.00 0.00 0.00 179.01 178.41 2dir n GLU 50 N -5.06 -0.07 0.07 2.33 4.71 -1.26 0.61 120.64 121.98 2dir n GLU 50 Ca -0.08 1.20 -0.12 0.00 -0.01 0.00 0.00 57.16 58.15 2dir n GLU 50 Cb 0.25 -1.86 -0.08 0.00 -1.01 0.00 0.00 31.44 28.73 2dir n GLU 50 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dir h VAL 51 N 0.00 0.94 0.00 2.62 2.07 -1.69 -2.93 116.25 117.27 2dir h VAL 51 Ca 0.44 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2dir h VAL 51 Cb 0.84 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2dir h VAL 51 CO -0.77 0.20 0.00 -0.38 0.02 0.00 0.00 177.57 176.65 2dir n ILE 52 N -4.98 0.00 -0.30 4.57 5.41 0.12 -0.50 119.36 123.69 2dir n ILE 52 Ca -0.09 1.40 -0.06 0.00 1.00 0.00 0.00 62.75 65.01 2dir n ILE 52 Cb 0.26 -2.40 -0.04 0.00 -0.71 0.00 0.00 39.64 36.75 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 -1.77 -0.27 0.40 0.38 5.12 0.20 -0.55 116.66 120.17 2dir n ARG 53 Ca 0.00 1.11 -0.19 0.00 -1.93 0.00 0.00 57.85 56.84 2dir n ARG 53 Cb 0.00 -1.64 -0.10 0.00 -1.16 0.00 0.00 32.46 29.56 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 -1.12 -0.78 5.56 4.81 -1.54 -0.66 114.58 120.86 2dir h GLU 54 Ca 0.16 0.08 0.32 0.00 -0.13 0.00 0.00 59.36 59.79 2dir h GLU 54 Cb 0.35 0.25 -0.14 0.00 0.63 0.00 0.00 28.75 29.84 2dir h GLU 54 CO -0.70 -0.75 0.38 1.28 -0.73 0.00 0.00 179.01 178.49 2dir n LEU 55 N -5.56 0.24 -0.01 1.64 4.77 0.34 0.14 117.00 118.56 2dir n LEU 55 Ca -0.14 1.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.96 2dir n LEU 55 Cb 0.49 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 2dir n LEU 55 CO 0.33 -1.43 0.27 0.00 -1.33 0.00 0.00 177.39 175.22 2dir h ALA 56 N 1.55 -0.00 -0.39 -1.18 0.00 -0.82 -3.10 119.26 115.32 2dir h ALA 56 Ca 0.64 -0.56 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2dir h ALA 56 Cb 1.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2dir h ALA 56 CO -0.61 0.20 0.33 0.78 0.00 0.00 0.00 179.25 179.95 2dir h GLY 57 N -0.49 0.00 1.22 0.00 0.00 0.27 -1.02 103.07 103.05 2dir h GLY 57 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.96 2dir h GLY 57 CO 0.08 0.00 -1.30 -2.22 0.00 0.00 0.00 176.54 173.10 2dir h ILE 58 N 0.00 1.29 -0.12 2.60 2.04 -0.98 -3.22 117.51 119.12 2dir h ILE 58 Ca 0.18 -2.53 0.04 0.00 1.00 0.00 0.00 64.86 63.56 2dir h ILE 58 Cb 0.85 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 2dir h ILE 58 CO -0.00 0.76 -0.17 0.58 0.00 0.00 0.00 178.15 179.32 2dir h VAL 59 N 0.22 0.55 -0.68 1.67 2.07 -1.11 -1.28 116.25 117.68 2dir h VAL 59 Ca -0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2dir h VAL 59 Cb 1.98 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2dir h VAL 59 CO 0.25 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.29 2dir h THR 61 N 0.63 1.06 0.09 0.00 2.02 -1.24 -3.18 112.91 112.29 2dir h THR 61 Ca 0.30 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2dir h THR 61 Cb 0.36 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2dir h THR 61 CO -0.10 0.13 -0.04 -0.07 0.37 0.00 0.00 175.52 175.81 2dir h LEU 62 N 0.73 -0.10 -7.82 2.58 3.38 -0.91 -3.44 115.31 109.72 2dir h LEU 62 Ca 0.27 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.67 2dir h LEU 62 Cb 0.15 0.03 -0.36 0.00 0.09 0.00 0.00 40.66 40.57 2dir h LEU 62 CO -0.08 -0.05 -0.82 0.21 0.09 0.00 0.00 178.44 177.79 2dir s ASN 63 N -2.65 2.53 0.64 -0.43 3.84 -1.17 -4.71 114.94 112.99 2dir s ASN 63 Ca -0.02 -0.43 0.33 0.00 0.21 0.00 0.00 52.86 52.95 2dir s ASN 63 Cb 0.00 -1.06 1.80 0.00 -0.55 0.00 0.00 41.25 41.44 2dir s ASN 63 CO 0.05 -0.08 2.07 0.28 -2.79 0.00 0.00 177.10 176.63 2dir h SER 64 N 8.10 0.00 1.04 -4.21 0.02 -1.86 0.33 113.55 116.96 2dir h SER 64 Ca -0.35 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2dir h SER 64 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dir h SER 64 CO 0.48 0.00 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.75 2dir h GLU 65 N 0.00 0.00 -6.75 3.45 5.08 -1.94 -3.44 114.58 110.99 2dir h GLU 65 Ca 0.05 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.89 2dir h GLU 65 Cb 0.52 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.81 2dir h GLU 65 CO -0.00 0.09 0.63 -0.80 -1.00 0.00 0.00 179.01 177.93 2dir s ASN 66 N -5.93 6.90 -0.23 1.42 0.01 0.12 -4.34 114.94 112.88 2dir s ASN 66 Ca 0.01 2.47 -0.03 0.00 -0.71 0.00 0.00 52.86 54.60 2dir s ASN 66 Cb 0.09 -2.62 0.12 0.00 0.41 0.00 0.00 41.25 39.25 2dir s ASN 66 CO 0.59 -0.49 0.33 -0.54 -1.51 0.00 0.00 177.10 175.48 2dir s LYS 67 N -0.70 0.30 0.01 -0.60 -0.14 -0.49 -4.72 119.74 113.41 2dir s LYS 67 Ca 0.53 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.24 2dir s LYS 67 Cb -0.37 -0.70 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 2dir s LYS 67 CO 0.42 -0.67 1.82 0.54 -0.76 0.00 0.00 175.35 176.70 2dir s VAL 68 N 2.47 3.18 0.10 3.17 0.11 -1.26 -3.52 120.40 124.65 2dir s VAL 68 Ca 0.11 0.30 0.09 0.00 -2.93 0.00 0.00 61.98 59.56 2dir s VAL 68 Cb -0.15 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 2dir s VAL 68 CO -0.16 -0.02 -0.24 -0.62 -3.33 0.00 0.00 175.10 170.73 2dir s ASP 69 N 3.75 2.97 0.00 3.54 -1.08 0.31 -4.82 116.67 121.34 2dir s ASP 69 Ca 0.81 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 52.24 2dir s ASP 69 Cb -0.39 -0.21 0.11 0.00 -1.46 0.00 0.00 42.92 40.97 2dir s ASP 69 CO 0.36 0.16 0.88 0.18 0.52 0.00 0.00 175.17 177.27 2dir n LEU 70 N 1.23 1.96 -0.09 -1.34 4.77 -1.26 -3.61 117.00 118.65 2dir n LEU 70 Ca -0.18 -1.33 -0.20 0.00 -0.03 0.00 0.00 56.01 54.27 2dir n LEU 70 Cb 0.53 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2dir n LEU 70 CO 0.23 0.44 -1.15 0.41 -1.33 0.00 0.00 177.39 175.99 2dir n THR 71 N 0.35 1.04 -2.90 -5.08 -1.04 -1.26 -4.81 114.28 100.57 2dir n THR 71 Ca 0.06 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.60 2dir n THR 71 Cb 0.25 -1.74 -0.01 0.00 -1.82 0.00 0.00 70.33 67.00 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 -3.83 2.50 -4.74 8.00 3.02 -1.26 -5.10 115.26 113.85 2dir n ASN 72 Ca -0.37 -3.22 -0.41 0.00 -0.03 0.00 0.00 54.58 50.54 2dir n ASN 72 Cb 0.77 -0.56 -0.03 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 -3.02 4.40 -0.02 3.52 0.04 -1.26 -4.84 135.00 133.81 2dir s PRO 73 Ca 0.41 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.62 2dir s PRO 73 Cb 0.36 -3.19 -0.22 0.00 0.04 0.00 0.00 34.50 31.49 2dir s PRO 73 CO -0.09 -0.24 0.71 1.96 0.04 0.00 0.00 177.00 179.39 2dir h GLN 74 N 5.30 0.00 -4.99 4.56 1.08 -1.76 -3.44 115.11 115.86 2dir h GLN 74 Ca -0.45 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.24 2dir h GLN 74 Cb 1.21 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.33 2dir h GLN 74 CO 0.77 0.48 -0.82 0.71 -0.95 0.00 0.00 178.83 179.02 2dir s TYR 75 N -2.64 1.42 -0.33 2.96 2.02 -0.93 -2.56 117.35 117.29 2dir s TYR 75 Ca -0.04 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2dir s TYR 75 Cb 0.08 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.68 2dir s TYR 75 CO 0.82 -0.15 0.13 0.99 -1.57 0.00 0.00 175.55 175.77 2dir s THR 76 N 0.14 4.18 -0.44 -0.71 2.01 -0.24 -0.50 115.64 120.09 2dir s THR 76 Ca -0.04 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2dir s THR 76 Cb -0.11 -3.25 0.11 0.00 0.01 0.00 0.00 72.50 69.26 2dir s THR 76 CO 0.02 -0.07 0.27 0.68 -0.69 0.00 0.00 174.62 174.82 2dir s VAL 77 N 1.51 3.73 0.03 3.82 -7.23 -0.92 -1.80 120.40 119.53 2dir s VAL 77 Ca 0.02 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2dir s VAL 77 Cb -0.18 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2dir s VAL 77 CO 0.04 -0.71 0.08 0.68 -0.31 0.00 0.00 175.10 174.88 2dir s VAL 78 N 1.25 4.65 -0.33 1.32 -7.23 -0.92 -2.02 120.40 117.13 2dir s VAL 78 Ca 0.07 -0.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2dir s VAL 78 Cb -0.24 -3.18 0.09 0.00 0.56 0.00 0.00 36.38 33.61 2dir s VAL 78 CO -0.02 0.25 0.03 0.54 -0.31 0.00 0.00 175.10 175.59 2dir s VAL 79 N -1.29 2.34 0.20 1.32 0.11 -0.15 -1.26 120.40 121.68 2dir s VAL 79 Ca 0.26 -2.20 -0.10 0.00 -2.93 0.00 0.00 61.98 57.01 2dir s VAL 79 Cb -0.12 -2.66 -0.07 0.00 -1.53 0.00 0.00 36.38 32.00 2dir s VAL 79 CO 0.18 -0.50 0.53 -0.70 -3.33 0.00 0.00 175.10 171.27 2dir s GLU 80 N 0.95 3.81 -0.27 1.54 2.12 -0.45 -2.59 118.70 123.81 2dir s GLU 80 Ca 0.07 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 2dir s GLU 80 Cb -0.19 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.51 2dir s GLU 80 CO -0.07 0.36 -0.04 0.42 -0.54 0.00 0.00 175.26 175.39 2dir s ILE 81 N -1.74 2.90 -0.36 -3.70 -1.09 -1.19 -1.11 121.20 114.91 2dir s ILE 81 Ca 0.45 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 2dir s ILE 81 Cb -0.12 -2.54 0.11 0.00 -1.58 0.00 0.00 42.46 38.33 2dir s ILE 81 CO 0.21 0.09 0.13 -0.63 -1.23 0.00 0.00 174.94 173.52 2dir s ILE 82 N 1.30 1.43 -0.76 2.92 1.01 -1.10 -4.73 121.20 121.27 2dir s ILE 82 Ca -0.02 -2.03 -0.04 0.00 0.00 0.00 0.00 60.65 58.55 2dir s ILE 82 Cb -0.18 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2dir s ILE 82 CO -0.03 -0.72 0.58 0.29 0.00 0.00 0.00 174.94 175.05 2dir n LYS 83 N 4.26 -4.00 -2.94 2.79 4.76 -1.26 -3.26 118.16 118.51 2dir n LYS 83 Ca 0.03 0.46 -0.10 0.00 -2.87 0.00 0.00 58.31 55.82 2dir n LYS 83 Cb 0.39 -4.36 0.04 0.00 -1.84 0.00 0.00 35.03 29.26 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 -3.64 -0.63 -3.31 7.82 0.00 -1.26 -5.04 120.51 114.44 2dir n ALA 84 Ca -0.01 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 2dir n ALA 84 Cb 0.54 -2.57 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 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 -3.15 0.99 -0.40 0.00 0.11 -1.20 -5.11 120.40 111.64 2dir s VAL 85 Ca 0.23 -0.43 -0.26 0.00 -2.93 0.00 0.00 61.98 58.60 2dir s VAL 85 Cb -0.10 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2dir s VAL 85 CO 0.33 0.32 0.92 0.00 -3.33 0.00 0.00 175.10 173.33 2dir s LEU 88 N 1.08 4.09 -0.20 0.00 1.02 -1.26 -1.34 118.68 122.07 2dir s LEU 88 Ca 0.08 0.73 -0.03 0.00 0.02 0.00 0.00 54.13 54.94 2dir s LEU 88 Cb -0.24 -3.02 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 2dir s LEU 88 CO -0.03 -0.52 -0.07 -0.55 0.02 0.00 0.00 176.35 175.20 2dir s SER 89 N 1.52 4.15 -0.24 2.29 0.15 -0.39 -4.96 113.70 116.22 2dir s SER 89 Ca 0.31 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 2dir s SER 89 Cb -0.15 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2dir s SER 89 CO 0.10 0.01 0.07 -0.69 1.20 0.00 0.00 173.24 173.93 2dir s VAL 90 N 1.28 4.31 -0.10 4.45 1.01 -1.25 -2.16 120.40 127.94 2dir s VAL 90 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2dir s VAL 90 Cb -0.14 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2dir s VAL 90 CO -0.03 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.57 2dir s VAL 91 N 1.55 1.46 -0.38 2.92 1.01 -0.75 -4.94 120.40 121.27 2dir s VAL 91 Ca 0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2dir s VAL 91 Cb -0.15 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2dir s VAL 91 CO 0.03 0.43 0.71 -0.75 0.00 0.00 0.00 175.10 175.53 2dir s LYS 92 N 0.89 3.63 0.06 2.72 2.20 -1.26 -1.08 119.74 126.90 2dir s LYS 92 Ca -0.09 0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 2dir s LYS 92 Cb -0.15 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 2dir s LYS 92 CO 0.00 -0.86 -0.24 0.45 -0.36 0.00 0.00 175.35 174.35 2dir s SER 93 N 1.88 3.41 0.00 1.43 0.15 -1.06 -5.02 113.70 114.49 2dir s SER 93 Ca 0.28 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2dir s SER 93 Cb -0.14 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2dir s SER 93 CO 0.17 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2dir n GLY 94 N 1.52 -1.31 3.77 9.45 0.00 -1.26 -4.55 105.19 112.81 2dir n GLY 94 Ca -0.17 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 3.95 0.28 1.61 0.04 -1.26 -5.04 135.00 134.58 2dir s PRO 95 Ca 0.00 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2dir s PRO 95 Cb 0.00 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.98 2dir s PRO 95 CO 0.00 -0.41 0.81 -1.54 0.04 0.00 0.00 177.00 175.90 2dir s SER 96 N -1.16 -0.15 -0.06 6.66 1.04 -1.26 -5.17 113.70 113.61 2dir s SER 96 Ca 0.59 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 2dir s SER 96 Cb -0.31 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2dir s SER 96 CO 0.38 -1.34 0.12 -0.55 0.98 0.00 0.00 173.24 172.84 2dir s SER 97 N -3.00 6.07 0.00 7.02 0.15 -1.26 -5.35 113.70 117.32 2dir s SER 97 Ca 0.13 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2dir s SER 97 Cb -0.05 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2dir s SER 97 CO 0.07 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.45