#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 2.02 -4.92 1.61 2.88 -1.26 -4.94 113.62 109.01 2dir n SER 2 Ca 0.00 0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 57.50 2dir n SER 2 Cb 0.00 -0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 2dir n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dir s SER 3 N -6.97 6.39 -0.30 -3.46 0.01 -1.26 -5.09 113.70 103.02 2dir s SER 3 Ca -0.26 0.36 -0.08 0.00 1.31 0.00 0.00 55.95 57.28 2dir s SER 3 Cb 0.07 -1.99 0.18 0.00 0.21 0.00 0.00 66.02 64.49 2dir s SER 3 CO 0.68 0.09 0.81 -0.83 0.41 0.00 0.00 173.24 174.41 2dir s GLY 4 N -2.69 -0.65 0.39 3.44 0.00 -1.26 -5.15 107.32 101.39 2dir s GLY 4 Ca 0.37 2.35 -0.25 0.00 0.00 0.00 0.00 44.72 47.19 2dir s GLY 4 CO 0.27 3.52 1.10 -0.56 0.00 0.00 0.00 173.10 177.43 2dir s SER 5 N 2.86 6.70 0.12 1.64 0.01 -1.26 -5.04 113.70 118.74 2dir s SER 5 Ca 0.09 2.17 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 2dir s SER 5 Cb -0.12 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.45 2dir s SER 5 CO -0.17 -0.54 0.42 -0.55 0.41 0.00 0.00 173.24 172.81 2dir s SER 6 N -1.35 6.60 -0.26 2.44 0.15 -1.26 -4.73 113.70 115.30 2dir s SER 6 Ca 0.56 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.93 2dir s SER 6 Cb -0.26 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dir s SER 6 CO 0.33 0.10 0.14 0.61 1.20 0.00 0.00 173.24 175.62 2dir n GLY 7 N 0.52 -3.07 3.38 9.45 0.00 -1.26 -4.97 105.19 109.23 2dir n GLY 7 Ca -0.05 0.48 -0.45 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.52 2.99 0.25 1.61 -0.14 -1.26 -4.96 119.74 116.71 2dir s LYS 8 Ca 0.06 -1.40 -0.12 0.00 -1.36 0.00 0.00 55.97 53.14 2dir s LYS 8 Cb -0.02 -4.16 0.34 0.00 -1.68 0.00 0.00 37.83 32.30 2dir s LYS 8 CO 0.58 -1.10 1.57 0.00 -0.76 0.00 0.00 175.35 175.65 2dir h ALA 9 N 8.79 0.43 -0.80 5.17 0.00 -1.98 0.19 119.26 131.06 2dir h ALA 9 Ca -0.29 0.32 0.21 0.00 0.00 0.00 0.00 54.91 55.15 2dir h ALA 9 Cb 1.11 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 19.51 2dir h ALA 9 CO 0.91 -0.47 -0.03 0.34 0.00 0.00 0.00 179.25 180.00 2dir n PHE 10 N -5.54 0.46 -0.01 0.00 -0.00 -1.26 -0.16 117.46 110.95 2dir n PHE 10 Ca 0.12 0.97 -0.04 0.00 -0.00 0.00 0.00 57.45 58.49 2dir n PHE 10 Cb 0.43 -1.07 -0.03 0.00 -0.00 0.00 0.00 39.48 38.81 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 -0.07 -0.99 -2.13 3.38 -1.08 -3.25 115.31 111.17 2dir h LEU 11 Ca 0.46 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2dir h LEU 11 Cb 0.91 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 2dir h LEU 11 CO -0.77 0.50 -0.43 -0.62 0.09 0.00 0.00 178.44 177.22 2dir n GLU 12 N -4.81 -0.27 -0.14 1.13 1.02 -0.22 0.20 120.64 117.54 2dir n GLU 12 Ca -0.03 1.51 0.19 0.00 -0.02 0.00 0.00 57.16 58.81 2dir n GLU 12 Cb 0.13 -2.24 0.58 0.00 -0.02 0.00 0.00 31.44 29.88 2dir n GLU 12 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dir h ASP 13 N 0.00 0.25 0.07 1.62 3.32 -0.71 0.30 116.42 121.28 2dir h ASP 13 Ca 0.30 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2dir h ASP 13 Cb 0.55 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2dir h ASP 13 CO -0.97 0.12 -0.03 -0.03 -1.72 0.00 0.00 179.24 176.61 2dir h MET 14 N 0.26 -0.09 -0.82 3.56 4.05 0.22 -3.19 114.93 118.94 2dir h MET 14 Ca 0.37 0.01 0.18 0.00 -0.28 0.00 0.00 59.70 59.97 2dir h MET 14 Cb 1.05 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 31.76 2dir h MET 14 CO -0.09 -0.06 0.30 1.57 0.23 0.00 0.00 176.91 178.87 2dir h LYS 15 N -0.46 0.37 -0.64 0.39 2.10 -0.56 0.50 116.57 118.26 2dir h LYS 15 Ca -0.01 -0.02 0.14 0.00 -2.00 0.00 0.00 60.65 58.76 2dir h LYS 15 Cb 0.07 -0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.28 2dir h LYS 15 CO 0.02 0.24 0.44 0.87 -2.00 0.00 0.00 179.45 179.02 2dir h LYS 16 N 0.38 0.24 0.00 0.07 1.57 -0.54 -1.54 116.57 116.74 2dir h LYS 16 Ca 0.48 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2dir h LYS 16 Cb 0.83 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2dir h LYS 16 CO -0.49 0.16 -0.53 -0.92 -0.57 0.00 0.00 179.45 177.10 2dir h TYR 17 N 0.25 0.00 -1.68 -1.35 5.03 -0.21 -3.31 116.97 115.69 2dir h TYR 17 Ca 0.31 0.00 0.51 0.00 2.58 0.00 0.00 58.73 62.13 2dir h TYR 17 Cb 0.87 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 39.05 2dir h TYR 17 CO -0.00 0.14 1.17 0.00 -1.32 0.00 0.00 178.16 178.15 2dir h ALA 18 N -0.95 3.40 0.29 1.82 0.00 -0.31 0.43 119.26 123.94 2dir h ALA 18 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dir h ALA 18 Cb 0.54 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dir h ALA 18 CO -0.02 -1.99 -0.14 1.49 0.00 0.00 0.00 179.25 178.59 2dir h GLU 19 N 0.02 -0.37 0.00 0.00 4.81 -1.44 0.66 114.58 118.26 2dir h GLU 19 Ca 0.88 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.14 2dir h GLU 19 Cb 3.27 0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.73 2dir h GLU 19 CO -0.18 -0.25 0.00 0.00 -0.73 0.00 0.00 179.01 177.85 2dir h THR 20 N -0.66 0.00 0.06 0.32 1.03 -1.12 0.62 112.91 113.16 2dir h THR 20 Ca -0.04 -0.05 -0.36 0.00 -0.01 0.00 0.00 66.41 65.95 2dir h THR 20 Cb 0.30 0.68 -0.04 0.00 -1.07 0.00 0.00 68.15 68.02 2dir h THR 20 CO 0.06 0.00 -2.12 0.33 -0.01 0.00 0.00 175.52 173.78 2dir n PHE 21 N -2.45 0.75 1.28 0.00 7.35 0.13 -4.18 117.46 120.34 2dir n PHE 21 Ca -0.01 0.18 0.13 0.00 -0.76 0.00 0.00 57.45 56.99 2dir n PHE 21 Cb 0.08 -1.11 0.39 0.00 0.35 0.00 0.00 39.48 39.18 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 -3.28 1.22 -0.20 -2.13 4.77 0.23 -4.38 117.00 113.24 2dir n LEU 22 Ca -0.33 -0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 55.18 2dir n LEU 22 Cb 1.04 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 2dir n LEU 22 CO 0.39 0.22 0.53 -0.33 -1.33 0.00 0.00 177.39 176.87 2dir h GLU 23 N 1.60 -0.27 0.00 3.23 5.08 0.05 1.54 114.58 125.80 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 0.53 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2dir h GLU 23 CO 0.00 -0.18 0.00 -0.35 -1.00 0.00 0.00 179.01 177.48 2dir n PRO 24 N -5.38 0.17 -0.01 2.33 -0.04 -1.26 0.33 135.00 131.13 2dir n PRO 24 Ca -0.01 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2dir n PRO 24 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.33 0.00 0.00 0.54 8.01 0.22 -4.58 117.44 120.30 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 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 29.04 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 -2.09 0.00 -2.53 -5.99 3.72 0.47 -4.41 117.46 106.63 2dir n PHE 26 Ca -0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 2dir n PHE 26 Cb 0.46 0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.66 4.58 0.87 -1.08 2.20 0.98 -3.95 119.74 121.68 2dir s LYS 27 Ca 0.00 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 2dir s LYS 27 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 2dir s LYS 27 CO 0.00 0.04 -0.47 0.00 -0.36 0.00 0.00 175.35 174.56 2dir n ALA 28 N 2.67 -4.49 0.79 3.13 0.00 -1.26 -2.28 120.51 119.07 2dir n ALA 28 Ca 0.04 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.03 2dir n ALA 28 Cb 0.47 -1.30 0.40 0.00 0.00 0.00 0.00 19.45 19.02 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.71 0.30 -2.75 0.00 -0.04 -1.26 -4.83 135.00 128.12 2dir n PRO 29 Ca 0.02 0.10 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2dir n PRO 29 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.40 6.91 0.04 3.54 0.01 -0.97 -5.05 114.94 117.02 2dir s ASN 30 Ca 0.17 1.77 -0.28 0.00 -0.71 0.00 0.00 52.86 53.81 2dir s ASN 30 Cb 0.10 -2.55 0.10 0.00 0.41 0.00 0.00 41.25 39.31 2dir s ASN 30 CO 0.21 -0.38 1.18 -1.59 -1.51 0.00 0.00 177.10 175.01 2dir s LYS 31 N -2.95 0.66 0.00 -0.60 -2.85 -1.25 -3.77 119.74 108.98 2dir s LYS 31 Ca 0.61 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 2dir s LYS 31 Cb -0.13 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2dir s LYS 31 CO 0.17 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.73 2dir n GLY 32 N -0.50 0.61 3.90 0.59 0.00 -1.26 -4.98 105.19 103.55 2dir n GLY 32 Ca -0.07 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.43 2.80 0.17 2.61 -4.23 -1.26 -1.38 115.64 110.93 2dir s THR 33 Ca 0.00 -1.28 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 2dir s THR 33 Cb 0.00 -3.02 0.06 0.00 1.34 0.00 0.00 72.50 70.88 2dir s THR 33 CO 0.00 -0.02 0.94 0.72 -0.54 0.00 0.00 174.62 175.73 2dir s PHE 34 N -2.44 -0.12 -0.07 3.99 -0.71 -1.23 -2.21 117.98 115.21 2dir s PHE 34 Ca 0.49 -0.22 -0.03 0.00 -1.04 0.00 0.00 56.93 56.13 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 -0.89 0.10 1.14 -1.34 0.00 0.00 175.22 174.52 2dir s GLN 35 N -3.25 -0.03 0.18 1.99 -2.07 -0.17 0.12 119.66 116.43 2dir s GLN 35 Ca 0.13 0.39 -0.14 0.00 -1.82 0.00 0.00 55.36 53.91 2dir s GLN 35 Cb -0.02 -0.58 -0.07 0.00 -1.09 0.00 0.00 33.01 31.25 2dir s GLN 35 CO 0.03 -0.36 0.58 0.42 -1.32 0.00 0.00 175.29 174.64 2dir s ILE 36 N 2.21 4.82 -0.12 3.63 1.01 -1.26 -1.38 121.20 130.11 2dir s ILE 36 Ca 0.04 0.83 -0.04 0.00 0.00 0.00 0.00 60.65 61.48 2dir s ILE 36 Cb -0.12 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.69 2dir s ILE 36 CO -0.05 0.15 0.23 -0.69 0.00 0.00 0.00 174.94 174.59 2dir s VAL 37 N -1.57 -0.37 -0.48 2.92 1.01 -1.00 -4.97 120.40 115.94 2dir s VAL 37 Ca 0.41 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 2dir s VAL 37 Cb -0.14 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.86 2dir s VAL 37 CO 0.20 0.12 0.97 -0.47 0.00 0.00 0.00 175.10 175.92 2dir s TYR 38 N 2.38 2.88 -0.28 5.22 6.14 -1.26 -1.44 117.35 130.99 2dir s TYR 38 Ca 0.02 0.41 -0.05 0.00 0.64 0.00 0.00 57.07 58.10 2dir s TYR 38 Cb -0.12 -4.09 0.02 0.00 0.42 0.00 0.00 41.96 38.19 2dir s TYR 38 CO -0.08 -1.17 0.02 0.15 0.64 0.00 0.00 175.55 175.12 2dir s LYS 39 N 3.94 2.96 -0.01 4.97 1.02 -0.21 -4.97 119.74 127.45 2dir s LYS 39 Ca 0.39 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2dir s LYS 39 Cb -0.10 -3.22 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2dir s LYS 39 CO 0.27 -0.43 -0.06 0.45 -0.92 0.00 0.00 175.35 174.65 2dir s SER 40 N 1.42 0.76 -0.15 2.83 0.15 -1.26 -1.11 113.70 116.35 2dir s SER 40 Ca 0.01 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 2dir s SER 40 Cb -0.17 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2dir s SER 40 CO -0.00 0.07 -0.31 -1.14 1.20 0.00 0.00 173.24 173.06 2dir n ARG 41 N 3.04 0.46 -0.48 5.44 0.00 -1.26 -4.99 116.66 118.87 2dir n ARG 41 Ca -0.14 0.18 -0.29 0.00 -0.00 0.00 0.00 57.85 57.60 2dir n ARG 41 Cb 0.57 -1.31 0.25 0.00 0.00 0.00 0.00 32.46 31.97 2dir n ARG 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2dir n ASN 42 N -4.33 -2.26 -4.47 6.15 6.94 -1.26 -4.86 115.26 111.18 2dir n ASN 42 Ca -0.13 -0.27 -0.43 0.00 -0.02 0.00 0.00 54.58 53.72 2dir n ASN 42 Cb 0.46 -1.15 -0.00 0.00 -2.36 0.00 0.00 39.78 36.73 2dir n ASN 42 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2dir n ASN 43 N -4.35 -0.54 -4.70 0.53 0.23 -1.26 -4.89 115.26 100.29 2dir n ASN 43 Ca 0.03 1.01 -0.42 0.00 -0.53 0.00 0.00 54.58 54.67 2dir n ASN 43 Cb 0.56 -1.11 -0.03 0.00 -2.08 0.00 0.00 39.78 37.11 2dir n ASN 43 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2dir s SER 44 N -0.87 7.17 0.13 0.53 0.15 -1.26 -4.91 113.70 114.64 2dir s SER 44 Ca 0.62 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.70 2dir s SER 44 Cb -0.69 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.11 2dir s SER 44 CO 0.58 -0.32 0.00 0.00 1.20 0.00 0.00 173.24 174.71 2dir n HIS 45 N 4.49 -0.47 -2.70 3.44 1.44 -1.26 -5.05 115.22 115.11 2dir n HIS 45 Ca 0.05 0.08 -0.41 0.00 -2.01 0.00 0.00 57.72 55.43 2dir n HIS 45 Cb 0.50 0.11 -0.04 0.00 0.12 0.00 0.00 29.99 30.67 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dir s VAL 46 N -1.98 4.40 -0.78 0.61 0.11 -1.26 -4.91 120.40 116.59 2dir s VAL 46 Ca 0.00 2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 60.82 2dir s VAL 46 Cb 0.00 -4.28 -0.17 0.00 -1.53 0.00 0.00 36.38 30.40 2dir s VAL 46 CO 0.00 0.31 2.39 0.59 -3.33 0.00 0.00 175.10 175.06 2dir n ASN 47 N 2.73 1.23 -0.26 3.54 4.13 -1.26 -4.76 115.26 120.61 2dir n ASN 47 Ca 0.02 -1.02 0.12 0.00 1.68 0.00 0.00 54.58 55.39 2dir n ASN 47 Cb 0.49 -1.40 0.24 0.00 -1.54 0.00 0.00 39.78 37.57 2dir n ASN 47 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2dir n ARG 48 N 8.24 -0.06 -0.19 3.52 1.85 -1.26 0.12 116.66 128.89 2dir n ARG 48 Ca 0.50 1.14 -0.02 0.00 -1.00 0.00 0.00 57.85 58.47 2dir n ARG 48 Cb 0.38 -1.83 0.04 0.00 -1.05 0.00 0.00 32.46 30.00 2dir n ARG 48 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2dir h GLU 49 N 0.00 -0.04 -0.68 2.89 4.11 -1.99 -1.68 114.58 117.18 2dir h GLU 49 Ca 0.47 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.99 2dir h GLU 49 Cb 1.00 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.15 2dir h GLU 49 CO -0.71 -0.03 -0.50 0.93 0.07 0.00 0.00 179.01 178.76 2dir h GLU 50 N -0.05 -0.19 -0.26 1.06 5.08 0.60 0.34 114.58 121.17 2dir h GLU 50 Ca 0.27 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2dir h GLU 50 Cb 0.46 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 2dir h GLU 50 CO -0.60 -0.13 -0.11 0.28 -1.00 0.00 0.00 179.01 177.45 2dir h VAL 51 N -0.20 0.65 0.00 3.13 2.07 -1.36 0.28 116.25 120.82 2dir h VAL 51 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2dir h VAL 51 Cb 0.54 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2dir h VAL 51 CO -0.76 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 176.45 2dir n ILE 52 N -5.28 0.00 -0.25 4.57 5.41 -0.19 -0.19 119.36 123.43 2dir n ILE 52 Ca -0.01 1.32 -0.05 0.00 1.00 0.00 0.00 62.75 65.01 2dir n ILE 52 Cb 0.19 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 36.83 2dir n ILE 52 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dir h ARG 53 N 0.00 -0.13 0.02 0.38 3.08 -0.43 -0.89 114.38 116.41 2dir h ARG 53 Ca 0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2dir h ARG 53 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2dir h ARG 53 CO 0.00 -0.09 -0.39 1.49 -1.07 0.00 0.00 179.97 179.91 2dir h GLU 54 N -0.13 -0.54 -1.12 0.04 4.57 -0.47 -0.05 114.58 116.88 2dir h GLU 54 Ca 0.24 0.04 0.32 0.00 -1.18 0.00 0.00 59.36 58.78 2dir h GLU 54 Cb 0.56 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 2dir h GLU 54 CO -0.76 -0.36 0.72 -0.07 -1.18 0.00 0.00 179.01 177.36 2dir h LEU 55 N -0.56 0.38 -0.13 1.64 3.38 0.74 0.31 115.31 121.08 2dir h LEU 55 Ca 0.05 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 2dir h LEU 55 Cb 0.63 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2dir h LEU 55 CO -0.29 0.00 -0.62 0.00 0.09 0.00 0.00 178.44 177.62 2dir h ALA 56 N 1.62 0.25 0.00 1.53 0.00 -0.07 -2.93 119.26 119.67 2dir h ALA 56 Ca 0.66 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dir h ALA 56 Cb 1.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2dir h ALA 56 CO -0.34 0.51 -0.04 0.78 0.00 0.00 0.00 179.25 180.17 2dir h GLY 57 N 0.31 0.00 1.29 0.00 0.00 0.13 -2.35 103.07 102.45 2dir h GLY 57 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.96 2dir h GLY 57 CO 0.13 0.00 -1.48 -2.22 0.00 0.00 0.00 176.54 172.97 2dir h ILE 58 N 0.00 1.27 0.11 2.60 2.04 -1.24 -3.25 117.51 119.04 2dir h ILE 58 Ca -0.00 -2.75 0.01 0.00 1.00 0.00 0.00 64.86 63.12 2dir h ILE 58 Cb 0.13 2.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 2dir h ILE 58 CO 0.01 0.83 -0.17 0.58 0.00 0.00 0.00 178.15 179.39 2dir h VAL 59 N 0.13 0.60 -0.53 1.67 2.07 -1.24 -1.79 116.25 117.17 2dir h VAL 59 Ca -0.25 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.37 2dir h VAL 59 Cb 2.12 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2dir h VAL 59 CO 0.25 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.20 2dir h THR 61 N 0.28 1.16 0.13 0.00 2.02 -1.36 -3.24 112.91 111.91 2dir h THR 61 Ca 0.24 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2dir h THR 61 Cb 0.59 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2dir h THR 61 CO -0.05 0.18 -0.06 -0.07 0.37 0.00 0.00 175.52 175.89 2dir h LEU 62 N 0.64 -0.15 -7.77 2.58 3.38 -0.85 -3.44 115.31 109.69 2dir h LEU 62 Ca 0.16 0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.59 2dir h LEU 62 Cb 0.07 0.04 -0.36 0.00 0.09 0.00 0.00 40.66 40.50 2dir h LEU 62 CO -0.02 -0.07 -0.81 0.21 0.09 0.00 0.00 178.44 177.84 2dir s ASN 63 N -2.87 2.33 0.47 -0.43 3.84 -1.17 -4.69 114.94 112.42 2dir s ASN 63 Ca -0.03 -0.36 0.23 0.00 0.21 0.00 0.00 52.86 52.91 2dir s ASN 63 Cb 0.00 -0.95 1.25 0.00 -0.55 0.00 0.00 41.25 41.00 2dir s ASN 63 CO 0.08 -0.09 1.90 -1.28 -2.79 0.00 0.00 177.10 174.92 2dir h SER 64 N 8.09 0.21 0.14 -4.21 0.87 -1.87 0.40 113.55 117.18 2dir h SER 64 Ca -0.32 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2dir h SER 64 Cb 1.13 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2dir h SER 64 CO 0.45 0.09 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.47 2dir h GLU 65 N 0.22 0.00 -6.61 2.24 4.39 -1.94 -3.42 114.58 109.46 2dir h GLU 65 Ca 0.40 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.57 2dir h GLU 65 Cb 1.23 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.92 2dir h GLU 65 CO -0.09 0.04 0.80 -0.80 -1.16 0.00 0.00 179.01 177.80 2dir s ASN 66 N -6.09 6.70 -0.22 1.42 0.01 0.14 -4.34 114.94 112.56 2dir s ASN 66 Ca -0.04 2.51 -0.03 0.00 -0.71 0.00 0.00 52.86 54.58 2dir s ASN 66 Cb 0.14 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.31 2dir s ASN 66 CO 0.55 -0.73 0.26 -0.54 -1.51 0.00 0.00 177.10 175.13 2dir s LYS 67 N 0.87 0.24 0.03 -0.60 1.02 -0.48 -4.66 119.74 116.16 2dir s LYS 67 Ca 0.66 0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 2dir s LYS 67 Cb -0.41 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.84 2dir s LYS 67 CO 0.33 -0.71 1.80 0.54 -0.92 0.00 0.00 175.35 176.39 2dir s VAL 68 N 2.38 3.13 0.13 3.17 0.11 -1.26 -3.48 120.40 124.57 2dir s VAL 68 Ca 0.08 0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.54 2dir s VAL 68 Cb -0.15 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 2dir s VAL 68 CO -0.16 -0.02 -0.21 -0.62 -3.33 0.00 0.00 175.10 170.76 2dir s ASP 69 N 3.53 2.77 0.00 3.54 -1.08 0.33 -4.81 116.67 120.95 2dir s ASP 69 Ca 0.80 -0.77 0.08 0.00 -0.52 0.00 0.00 52.55 52.14 2dir s ASP 69 Cb -0.40 -0.17 0.13 0.00 -1.46 0.00 0.00 42.92 41.02 2dir s ASP 69 CO 0.36 0.05 0.93 0.18 0.52 0.00 0.00 175.17 177.21 2dir n LEU 70 N 0.74 2.07 -0.03 -1.34 4.77 -1.26 -3.72 117.00 118.23 2dir n LEU 70 Ca -0.17 -1.43 -0.07 0.00 -0.03 0.00 0.00 56.01 54.31 2dir n LEU 70 Cb 0.55 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2dir n LEU 70 CO 0.25 0.47 -0.52 0.41 -1.33 0.00 0.00 177.39 176.67 2dir n THR 71 N 0.33 1.07 -2.49 -5.08 -1.04 -1.26 -4.81 114.28 101.00 2dir n THR 71 Ca 0.06 0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.90 2dir n THR 71 Cb 0.27 -1.81 -0.00 0.00 -1.82 0.00 0.00 70.33 66.97 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 -3.75 5.04 -4.73 8.00 3.02 -1.26 -5.06 115.26 116.52 2dir n ASN 72 Ca -0.12 -3.73 -0.41 0.00 -0.03 0.00 0.00 54.58 50.28 2dir n ASN 72 Cb 0.39 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -3.61 4.38 -0.11 3.52 0.04 -1.26 -4.84 135.00 133.14 2dir s PRO 73 Ca 0.48 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.70 2dir s PRO 73 Cb 0.38 -3.21 -0.24 0.00 0.04 0.00 0.00 34.50 31.48 2dir s PRO 73 CO -0.21 -0.27 0.42 1.04 0.04 0.00 0.00 177.00 178.02 2dir n GLN 74 N 2.85 0.66 -3.94 4.56 6.02 -1.14 -4.67 117.38 121.72 2dir n GLN 74 Ca 0.07 0.19 -0.26 0.00 -0.01 0.00 0.00 57.00 56.99 2dir n GLN 74 Cb 0.43 -1.69 -0.17 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.56 1.31 -0.43 1.08 2.02 -0.94 -2.25 117.35 115.59 2dir s TYR 75 Ca -0.08 -0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 55.85 2dir s TYR 75 Cb 0.07 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 2dir s TYR 75 CO 0.82 -0.45 0.42 0.99 -1.57 0.00 0.00 175.55 175.75 2dir s THR 76 N 1.66 5.12 -0.53 -0.71 2.01 -0.30 -1.00 115.64 121.89 2dir s THR 76 Ca 0.03 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2dir s THR 76 Cb -0.13 -4.04 0.12 0.00 0.01 0.00 0.00 72.50 68.46 2dir s THR 76 CO -0.07 -0.44 0.48 0.68 -0.69 0.00 0.00 174.62 174.58 2dir s VAL 77 N 2.04 5.16 -0.03 3.82 -7.23 -0.48 -1.44 120.40 122.23 2dir s VAL 77 Ca 0.10 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2dir s VAL 77 Cb -0.18 -4.29 -0.04 0.00 0.56 0.00 0.00 36.38 32.43 2dir s VAL 77 CO 0.12 -0.83 0.17 0.68 -0.31 0.00 0.00 175.10 174.93 2dir s VAL 78 N 1.59 5.41 -0.33 1.32 -7.23 -0.76 -2.38 120.40 118.03 2dir s VAL 78 Ca 0.03 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2dir s VAL 78 Cb -0.29 -3.50 0.09 0.00 0.56 0.00 0.00 36.38 33.24 2dir s VAL 78 CO 0.03 0.38 0.02 0.68 -0.31 0.00 0.00 175.10 175.91 2dir s VAL 79 N -1.26 2.39 0.04 1.32 -7.23 -0.52 -1.05 120.40 114.08 2dir s VAL 79 Ca 0.25 -2.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 2dir s VAL 79 Cb -0.12 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 2dir s VAL 79 CO 0.16 -0.45 0.52 -0.70 -0.31 0.00 0.00 175.10 174.32 2dir s GLU 80 N 0.99 4.13 -0.37 4.82 2.12 -0.22 -1.04 118.70 129.13 2dir s GLU 80 Ca 0.05 0.64 -0.10 0.00 0.36 0.00 0.00 54.97 55.92 2dir s GLU 80 Cb -0.20 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 30.98 2dir s GLU 80 CO -0.07 0.63 0.19 0.42 -0.54 0.00 0.00 175.26 175.89 2dir s ILE 81 N -1.01 4.37 -0.26 -3.70 -1.09 -0.27 -1.30 121.20 117.94 2dir s ILE 81 Ca 0.28 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2dir s ILE 81 Cb -0.19 -3.47 0.08 0.00 -1.58 0.00 0.00 42.46 37.30 2dir s ILE 81 CO 0.17 -0.25 0.03 -0.63 -1.23 0.00 0.00 174.94 173.04 2dir s ILE 82 N 1.51 1.05 -1.12 2.92 1.01 -1.12 -4.19 121.20 121.26 2dir s ILE 82 Ca 0.01 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 2dir s ILE 82 Cb -0.20 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.69 2dir s ILE 82 CO 0.05 -0.37 0.65 0.29 0.00 0.00 0.00 174.94 175.56 2dir n LYS 83 N 4.82 -4.70 -2.91 2.79 4.76 -1.26 -2.89 118.16 118.77 2dir n LYS 83 Ca -0.06 0.67 -0.11 0.00 -2.87 0.00 0.00 58.31 55.94 2dir n LYS 83 Cb 0.44 -5.08 0.04 0.00 -1.84 0.00 0.00 35.03 28.59 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 -3.66 -0.79 -3.34 7.82 0.00 -1.26 -5.04 120.51 114.23 2dir n ALA 84 Ca -0.05 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 2dir n ALA 84 Cb 0.57 -2.39 -0.16 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.17 0.89 -0.71 0.00 0.11 -1.14 -5.10 120.40 111.28 2dir s VAL 85 Ca 0.18 -0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 2dir s VAL 85 Cb -0.08 -0.82 0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2dir s VAL 85 CO 0.36 0.29 0.97 0.00 -3.33 0.00 0.00 175.10 173.39 2dir s LEU 88 N 2.52 4.21 -0.19 0.00 1.02 -1.26 -1.05 118.68 123.93 2dir s LEU 88 Ca 0.16 0.17 -0.01 0.00 0.02 0.00 0.00 54.13 54.47 2dir s LEU 88 Cb -0.17 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.49 2dir s LEU 88 CO 0.15 -0.35 -0.12 -0.55 0.02 0.00 0.00 176.35 175.49 2dir s SER 89 N 1.68 3.74 -0.27 2.29 0.15 -0.22 -4.96 113.70 116.11 2dir s SER 89 Ca 0.18 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 56.21 2dir s SER 89 Cb -0.16 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 2dir s SER 89 CO 0.11 0.01 0.23 -0.69 1.20 0.00 0.00 173.24 174.10 2dir s VAL 90 N 1.25 5.29 -0.23 4.45 1.01 -1.26 -1.83 120.40 129.07 2dir s VAL 90 Ca 0.03 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2dir s VAL 90 Cb -0.14 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2dir s VAL 90 CO -0.06 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.48 2dir s VAL 91 N 1.70 1.97 -0.46 2.92 1.01 -0.52 -4.93 120.40 122.09 2dir s VAL 91 Ca 0.09 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.42 2dir s VAL 91 Cb -0.16 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2dir s VAL 91 CO 0.10 0.08 1.10 -0.75 0.00 0.00 0.00 175.10 175.63 2dir s LYS 92 N 1.22 3.71 -0.24 2.72 2.20 -1.26 -1.15 119.74 126.95 2dir s LYS 92 Ca -0.05 0.53 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 2dir s LYS 92 Cb -0.18 -3.90 0.05 0.00 -1.51 0.00 0.00 37.83 32.29 2dir s LYS 92 CO -0.07 -1.32 -0.13 0.45 -0.36 0.00 0.00 175.35 173.91 2dir s SER 93 N 2.37 4.08 0.00 1.43 0.15 -0.95 -5.00 113.70 115.78 2dir s SER 93 Ca 0.46 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2dir s SER 93 Cb -0.08 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2dir s SER 93 CO 0.30 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2dir n GLY 94 N 4.48 -1.90 3.57 9.45 0.00 -1.26 -4.46 105.19 115.06 2dir n GLY 94 Ca -0.16 1.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.46 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 2.88 0.44 1.61 0.04 -1.26 -4.97 135.00 133.74 2dir s PRO 95 Ca 0.00 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 61.62 2dir s PRO 95 Cb 0.00 -4.31 -0.08 0.00 0.04 0.00 0.00 34.50 30.15 2dir s PRO 95 CO 0.00 -2.42 1.36 0.45 0.04 0.00 0.00 177.00 176.43 2dir s SER 96 N 7.25 6.03 -0.23 6.66 0.15 -1.26 -5.02 113.70 127.28 2dir s SER 96 Ca 0.70 2.78 -0.04 0.00 0.70 0.00 0.00 55.95 60.09 2dir s SER 96 Cb -0.15 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.63 2dir s SER 96 CO 0.25 -1.06 0.37 -0.55 1.20 0.00 0.00 173.24 173.45 2dir s SER 97 N -0.65 0.25 0.00 5.45 0.15 -1.26 -5.35 113.70 112.29 2dir s SER 97 Ca 0.60 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2dir s SER 97 Cb -0.41 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2dir s SER 97 CO 0.52 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.28