#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir n SER 2 N 0.00 -0.35 -0.06 1.61 7.64 -1.26 0.79 113.62 122.00 2dir n SER 2 Ca 0.00 1.47 -0.07 0.00 1.01 0.00 0.00 58.87 61.28 2dir n SER 2 Cb 0.00 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 2dir n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dir h SER 3 N 0.00 -0.45 0.00 6.43 0.02 -2.13 -3.46 113.55 113.96 2dir h SER 3 Ca 0.39 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2dir h SER 3 Cb 0.61 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2dir h SER 3 CO -0.87 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 175.25 2dir n GLY 4 N -1.30 3.22 3.77 -3.77 0.00 0.24 -5.13 105.19 102.21 2dir n GLY 4 Ca -0.00 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 6.36 -0.54 1.61 0.15 -1.25 -3.73 113.70 116.30 2dir s SER 5 Ca 0.00 3.00 -0.27 0.00 0.70 0.00 0.00 55.95 59.39 2dir s SER 5 Cb 0.00 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 2dir s SER 5 CO 0.00 -0.89 1.87 -0.44 1.20 0.00 0.00 173.24 174.98 2dir s SER 6 N 0.14 5.38 0.38 5.45 0.01 -1.26 -4.93 113.70 118.87 2dir s SER 6 Ca 0.57 0.60 -0.23 0.00 1.31 0.00 0.00 55.95 58.20 2dir s SER 6 Cb -0.47 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.10 2dir s SER 6 CO 0.56 -2.25 0.53 0.61 0.41 0.00 0.00 173.24 173.11 2dir n GLY 7 N 5.64 -1.56 3.30 3.44 0.00 -1.26 -4.99 105.19 109.77 2dir n GLY 7 Ca 0.22 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.44 0.45 0.18 1.61 1.02 -1.26 -5.04 119.74 115.26 2dir s LYS 8 Ca 0.62 0.93 -0.12 0.00 0.02 0.00 0.00 55.97 57.42 2dir s LYS 8 Cb -0.66 0.54 0.20 0.00 -0.52 0.00 0.00 37.83 37.40 2dir s LYS 8 CO 0.59 -0.36 1.17 0.00 -0.92 0.00 0.00 175.35 175.83 2dir n ALA 9 N 5.37 -0.06 -0.36 5.17 0.00 -1.26 0.81 120.51 130.18 2dir n ALA 9 Ca -0.06 0.76 0.04 0.00 0.00 0.00 0.00 53.44 54.18 2dir n ALA 9 Cb 0.51 -0.36 0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.66 0.06 0.00 3.04 -2.01 -0.49 116.94 116.88 2dir h PHE 10 Ca 0.27 0.09 -0.10 0.00 3.98 0.00 0.00 57.97 62.22 2dir h PHE 10 Cb 0.46 0.44 0.01 0.00 2.56 0.00 0.00 35.95 39.43 2dir h PHE 10 CO -0.65 -0.42 -0.41 -0.07 -2.02 0.00 0.00 178.31 174.74 2dir h LEU 11 N -0.00 0.26 -0.89 0.59 3.38 -0.02 -3.25 115.31 115.39 2dir h LEU 11 Ca 0.45 -0.93 0.11 0.00 0.09 0.00 0.00 57.88 57.60 2dir h LEU 11 Cb 0.69 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 2dir h LEU 11 CO -1.01 1.16 -0.43 -0.62 0.09 0.00 0.00 178.44 177.63 2dir n GLU 12 N -4.37 -0.29 0.42 1.13 -0.58 0.65 -0.80 120.64 116.79 2dir n GLU 12 Ca -0.12 1.36 -0.19 0.00 -0.42 0.00 0.00 57.16 57.80 2dir n GLU 12 Cb 0.63 -2.01 -0.09 0.00 -0.57 0.00 0.00 31.44 29.40 2dir n GLU 12 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2dir h ASP 13 N 0.00 -1.17 -0.99 1.62 3.58 -1.35 -3.07 116.42 115.04 2dir h ASP 13 Ca 0.23 0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.87 2dir h ASP 13 Cb 0.46 0.34 -0.14 0.00 1.72 0.00 0.00 39.33 41.70 2dir h ASP 13 CO -0.86 -0.72 -0.49 0.80 -2.88 0.00 0.00 179.24 175.09 2dir n MET 14 N -5.40 -0.34 -0.35 0.28 1.56 -0.25 -0.30 117.12 112.32 2dir n MET 14 Ca -0.14 1.51 -0.02 0.00 -0.27 0.00 0.00 57.70 58.78 2dir n MET 14 Cb 0.48 -2.23 0.04 0.00 2.15 0.00 0.00 33.22 33.66 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 -0.03 0.33 2.12 1.57 -0.88 0.41 116.57 120.10 2dir h LYS 15 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2dir h LYS 15 Cb 0.49 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2dir h LYS 15 CO -0.95 -0.02 -0.21 -0.22 -0.57 0.00 0.00 179.45 177.48 2dir h LYS 16 N -0.03 -0.49 -0.20 3.15 3.64 -0.57 -1.48 116.57 120.59 2dir h LYS 16 Ca 0.33 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2dir h LYS 16 Cb 0.59 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2dir h LYS 16 CO -0.94 -0.33 -0.30 -0.92 -2.27 0.00 0.00 179.45 174.70 2dir h TYR 17 N -0.51 -0.91 -0.96 1.91 3.20 -0.55 0.84 116.97 119.99 2dir h TYR 17 Ca -0.04 0.04 0.28 0.00 3.14 0.00 0.00 58.73 62.15 2dir h TYR 17 Cb 0.41 0.42 -0.17 0.00 1.54 0.00 0.00 36.73 38.93 2dir h TYR 17 CO 0.01 -0.26 0.13 0.00 -1.64 0.00 0.00 178.16 176.40 2dir h ALA 18 N -0.65 1.30 -0.40 1.82 0.00 -0.27 0.47 119.26 121.53 2dir h ALA 18 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dir h ALA 18 Cb 0.32 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2dir h ALA 18 CO -0.31 -0.60 0.00 -1.91 0.00 0.00 0.00 179.25 176.43 2dir n GLU 19 N -5.41 0.00 0.32 0.00 2.13 -0.20 0.11 120.64 117.59 2dir n GLU 19 Ca 0.24 0.43 0.09 0.00 0.66 0.00 0.00 57.16 58.59 2dir n GLU 19 Cb 0.80 -1.32 0.49 0.00 0.27 0.00 0.00 31.44 31.68 2dir n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dir h THR 20 N 0.00 0.00 0.04 6.31 1.03 -0.35 0.89 112.91 120.83 2dir h THR 20 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.05 2dir h THR 20 Cb 0.00 0.39 -0.04 0.00 -1.07 0.00 0.00 68.15 67.43 2dir h THR 20 CO 0.00 0.00 -2.04 0.33 -0.01 0.00 0.00 175.52 173.80 2dir n PHE 21 N -2.69 0.78 0.82 0.00 7.35 0.16 -4.11 117.46 119.77 2dir n PHE 21 Ca -0.01 0.21 0.11 0.00 -0.76 0.00 0.00 57.45 57.00 2dir n PHE 21 Cb 0.61 -1.12 0.29 0.00 0.35 0.00 0.00 39.48 39.61 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 -3.19 2.41 0.16 -2.13 4.77 0.31 -4.42 117.00 114.91 2dir n LEU 22 Ca -0.29 -1.04 -0.15 0.00 -0.03 0.00 0.00 56.01 54.49 2dir n LEU 22 Cb 1.06 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 2dir n LEU 22 CO 0.41 0.52 0.57 -0.33 -1.33 0.00 0.00 177.39 177.23 2dir h GLU 23 N 3.11 -0.71 0.00 3.23 5.08 0.27 1.05 114.58 126.61 2dir h GLU 23 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dir h GLU 23 Cb 0.69 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dir h GLU 23 CO 0.00 -0.47 0.00 -0.35 -1.00 0.00 0.00 179.01 177.19 2dir n PRO 24 N -5.48 0.15 -0.06 2.33 -0.04 -1.26 0.33 135.00 130.97 2dir n PRO 24 Ca -0.08 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2dir n PRO 24 Cb 0.40 -1.50 -0.14 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 -1.35 0.00 0.00 0.54 8.01 -0.31 -4.58 117.44 119.76 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 -0.69 0.00 0.00 -2.01 0.00 0.00 31.31 28.74 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 -2.45 0.00 -2.54 -5.99 3.72 0.35 -4.36 117.46 106.18 2dir n PHE 26 Ca -0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 2dir n PHE 26 Cb 0.84 0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.72 4.60 0.89 -1.08 2.20 1.01 -3.98 119.74 121.65 2dir s LYS 27 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 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 0.07 -0.49 0.00 -0.36 0.00 0.00 175.35 174.56 2dir n ALA 28 N 2.58 -4.57 0.76 3.13 0.00 -1.26 -2.34 120.51 118.81 2dir n ALA 28 Ca 0.03 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 53.01 2dir n ALA 28 Cb 0.47 -1.29 0.39 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 1.74 0.27 -2.71 0.00 -0.04 -1.26 -4.81 135.00 128.18 2dir n PRO 29 Ca 0.01 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 2dir n PRO 29 Cb 0.54 -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 -2.46 6.72 -0.15 3.54 0.01 -0.99 -5.05 114.94 116.56 2dir s ASN 30 Ca 0.16 1.78 -0.34 0.00 -0.71 0.00 0.00 52.86 53.75 2dir s ASN 30 Cb 0.10 -2.55 0.13 0.00 0.41 0.00 0.00 41.25 39.35 2dir s ASN 30 CO 0.22 -0.51 1.19 -1.59 -1.51 0.00 0.00 177.10 174.90 2dir s LYS 31 N -3.18 0.36 0.00 -0.60 -2.85 -1.26 -3.84 119.74 108.38 2dir s LYS 31 Ca 0.64 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 2dir s LYS 31 Cb -0.12 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 2dir s LYS 31 CO 0.16 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2dir n GLY 32 N -0.15 0.01 3.89 0.59 0.00 -1.26 -4.99 105.19 103.26 2dir n GLY 32 Ca -0.01 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.40 2.87 0.04 2.61 -4.23 -1.26 -1.39 115.64 110.88 2dir s THR 33 Ca 0.00 -1.30 -0.27 0.00 -1.18 0.00 0.00 61.69 58.93 2dir s THR 33 Cb 0.00 -3.04 0.09 0.00 1.34 0.00 0.00 72.50 70.89 2dir s THR 33 CO 0.00 -0.03 0.86 0.72 -0.54 0.00 0.00 174.62 175.62 2dir s PHE 34 N -2.43 -0.34 -0.20 3.99 -0.71 -1.24 -2.27 117.98 114.79 2dir s PHE 34 Ca 0.48 0.17 0.00 0.00 -1.04 0.00 0.00 56.93 56.53 2dir s PHE 34 Cb -0.05 0.56 0.05 0.00 -1.21 0.00 0.00 43.02 42.37 2dir s PHE 34 CO 0.28 -0.64 -0.06 1.14 -1.34 0.00 0.00 175.22 174.61 2dir s GLN 35 N -3.24 1.58 0.02 1.99 -2.07 -0.49 0.19 119.66 117.64 2dir s GLN 35 Ca 0.06 -0.76 -0.26 0.00 -1.82 0.00 0.00 55.36 52.58 2dir s GLN 35 Cb -0.01 -2.33 -0.05 0.00 -1.09 0.00 0.00 33.01 29.53 2dir s GLN 35 CO -0.08 -0.51 0.80 0.42 -1.32 0.00 0.00 175.29 174.60 2dir s ILE 36 N 1.51 4.80 -0.05 3.63 1.01 -1.26 -2.24 121.20 128.60 2dir s ILE 36 Ca -0.02 1.68 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 2dir s ILE 36 Cb -0.17 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.19 2dir s ILE 36 CO -0.07 0.31 0.02 -0.69 0.00 0.00 0.00 174.94 174.50 2dir s VAL 37 N 0.29 0.17 -0.33 2.92 1.01 -1.00 -4.99 120.40 118.47 2dir s VAL 37 Ca 0.41 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 2dir s VAL 37 Cb -0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2dir s VAL 37 CO 0.23 0.20 0.56 -0.47 0.00 0.00 0.00 175.10 175.63 2dir s TYR 38 N 1.74 3.19 -0.33 5.22 5.04 -1.26 -1.25 117.35 129.69 2dir s TYR 38 Ca 0.00 0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.96 2dir s TYR 38 Cb -0.13 -2.96 0.06 0.00 0.35 0.00 0.00 41.96 39.28 2dir s TYR 38 CO -0.03 -0.52 0.07 0.15 -1.34 0.00 0.00 175.55 173.88 2dir s LYS 39 N 2.50 2.33 0.03 4.97 1.02 -0.97 -4.96 119.74 124.66 2dir s LYS 39 Ca 0.22 -1.41 -0.00 0.00 0.02 0.00 0.00 55.97 54.79 2dir s LYS 39 Cb -0.15 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2dir s LYS 39 CO 0.13 -0.75 -0.02 0.45 -0.92 0.00 0.00 175.35 174.23 2dir s SER 40 N 1.42 0.29 -0.17 2.83 0.15 -1.26 -2.76 113.70 114.20 2dir s SER 40 Ca -0.01 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 2dir s SER 40 Cb -0.20 0.13 -0.23 0.00 -1.71 0.00 0.00 66.02 64.01 2dir s SER 40 CO -0.01 -0.38 0.17 -1.14 1.20 0.00 0.00 173.24 173.08 2dir n ARG 41 N 1.22 0.71 -3.55 5.44 0.63 -1.26 -4.93 116.66 114.93 2dir n ARG 41 Ca -0.21 0.25 -0.08 0.00 -0.92 0.00 0.00 57.85 56.89 2dir n ARG 41 Cb 0.57 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.74 2dir n ARG 41 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dir s ASN 42 N -6.90 -0.17 -0.00 6.15 2.47 -1.26 -5.12 114.94 110.10 2dir s ASN 42 Ca -0.27 0.77 -0.29 0.00 0.42 0.00 0.00 52.86 53.50 2dir s ASN 42 Cb 0.07 1.33 -0.14 0.00 -1.45 0.00 0.00 41.25 41.06 2dir s ASN 42 CO 0.70 -0.25 0.77 0.59 -3.72 0.00 0.00 177.10 175.19 2dir n ASN 43 N 5.39 0.00 -3.96 -4.21 3.02 -1.26 -4.85 115.26 109.39 2dir n ASN 43 Ca -0.07 0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 54.93 2dir n ASN 43 Cb 0.50 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 2dir n ASN 43 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dir n SER 44 N 1.09 4.99 -4.26 6.41 7.64 -1.26 -4.78 113.62 123.45 2dir n SER 44 Ca 0.14 -3.28 -0.35 0.00 1.01 0.00 0.00 58.87 56.39 2dir n SER 44 Cb 0.06 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 2dir n SER 44 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dir n HIS 45 N 1.72 -1.56 -3.62 1.43 8.25 -1.26 -4.91 115.22 115.27 2dir n HIS 45 Ca 0.25 0.75 -0.14 0.00 -0.26 0.00 0.00 57.72 58.32 2dir n HIS 45 Cb 0.37 -2.85 -0.07 0.00 1.12 0.00 0.00 29.99 28.56 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 -3.51 0.00 1.39 1.59 0.11 -1.26 -5.14 120.40 113.57 2dir s VAL 46 Ca 0.56 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.40 2dir s VAL 46 Cb -0.31 -1.00 0.35 0.00 -1.53 0.00 0.00 36.38 33.89 2dir s VAL 46 CO 0.95 0.00 0.89 0.59 -3.33 0.00 0.00 175.10 174.20 2dir n ASN 47 N 2.42 -3.46 -0.04 3.54 4.13 -1.26 -4.90 115.26 115.68 2dir n ASN 47 Ca -0.14 -0.66 -0.09 0.00 1.68 0.00 0.00 54.58 55.37 2dir n ASN 47 Cb 0.55 -1.07 -0.03 0.00 -1.54 0.00 0.00 39.78 37.69 2dir n ASN 47 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2dir n ARG 48 N -5.46 0.26 0.03 3.52 0.00 -1.26 -4.64 116.66 109.12 2dir n ARG 48 Ca 0.10 0.11 -0.11 0.00 -0.00 0.00 0.00 57.85 57.95 2dir n ARG 48 Cb 0.58 -0.95 -0.05 0.00 0.00 0.00 0.00 32.46 32.04 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dir h GLU 49 N -0.47 -0.10 -0.92 -0.14 5.08 -2.00 -2.65 114.58 113.38 2dir h GLU 49 Ca -0.15 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.42 2dir h GLU 49 Cb 0.85 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.95 2dir h GLU 49 CO -0.09 -0.07 -0.16 0.39 -1.00 0.00 0.00 179.01 178.08 2dir n GLU 50 N -5.19 -0.08 0.30 2.33 -0.58 -1.26 -0.21 120.64 115.95 2dir n GLU 50 Ca -0.05 1.42 -0.13 0.00 -0.42 0.00 0.00 57.16 57.97 2dir n GLU 50 Cb 0.12 -2.15 -0.06 0.00 -0.57 0.00 0.00 31.44 28.78 2dir n GLU 50 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dir h VAL 51 N 0.00 0.00 0.07 2.62 2.07 -1.73 -0.99 116.25 118.29 2dir h VAL 51 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2dir h VAL 51 Cb 0.80 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2dir h VAL 51 CO -0.92 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 176.87 2dir h ILE 52 N -0.82 0.00 -1.00 4.57 2.04 -0.97 0.22 117.51 121.56 2dir h ILE 52 Ca -0.08 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.94 2dir h ILE 52 Cb 0.64 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 2dir h ILE 52 CO 0.09 0.00 -0.40 0.03 0.00 0.00 0.00 178.15 177.88 2dir h ARG 53 N -0.30 -0.00 0.56 2.37 2.47 -0.68 -1.30 114.38 117.50 2dir h ARG 53 Ca -0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2dir h ARG 53 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2dir h ARG 53 CO -0.09 -0.00 -0.34 1.49 0.56 0.00 0.00 179.97 181.59 2dir h GLU 54 N -0.00 -0.81 -0.77 0.04 4.57 -0.85 -0.97 114.58 115.79 2dir h GLU 54 Ca 0.34 0.06 0.31 0.00 -1.18 0.00 0.00 59.36 58.88 2dir h GLU 54 Cb 0.59 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.24 2dir h GLU 54 CO -0.99 -0.54 0.43 1.28 -1.18 0.00 0.00 179.01 178.02 2dir n LEU 55 N -4.50 0.23 -0.03 1.64 4.77 0.75 0.11 117.00 119.96 2dir n LEU 55 Ca -0.10 1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.90 2dir n LEU 55 Cb 0.35 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2dir n LEU 55 CO 0.24 -1.26 0.38 0.00 -1.33 0.00 0.00 177.39 175.42 2dir h ALA 56 N 1.35 -0.05 -1.21 -1.18 0.00 -0.94 -3.09 119.26 114.15 2dir h ALA 56 Ca 0.61 -0.34 0.35 0.00 0.00 0.00 0.00 54.91 55.53 2dir h ALA 56 Cb 1.68 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 2dir h ALA 56 CO -0.50 -0.11 0.86 0.78 0.00 0.00 0.00 179.25 180.29 2dir h GLY 57 N -0.89 0.13 0.85 0.00 0.00 0.21 0.16 103.07 103.53 2dir h GLY 57 Ca -0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2dir h GLY 57 CO 0.01 -0.02 -0.74 -2.22 0.00 0.00 0.00 176.54 173.57 2dir h ILE 58 N 0.03 1.41 -0.50 2.60 2.04 -1.27 -3.20 117.51 118.62 2dir h ILE 58 Ca 0.59 -2.21 0.10 0.00 1.00 0.00 0.00 64.86 64.34 2dir h ILE 58 Cb 2.27 2.69 -0.10 0.00 -0.74 0.00 0.00 36.82 40.94 2dir h ILE 58 CO -0.04 0.65 -0.20 0.58 0.00 0.00 0.00 178.15 179.13 2dir h VAL 59 N -0.07 0.36 -0.87 1.67 2.07 -0.59 0.73 116.25 119.55 2dir h VAL 59 Ca -0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2dir h VAL 59 Cb 1.47 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2dir h VAL 59 CO 0.14 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.31 2dir h THR 61 N 1.07 0.90 0.11 0.00 2.02 -0.86 -3.07 112.91 113.09 2dir h THR 61 Ca 0.35 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2dir h THR 61 Cb 0.04 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2dir h THR 61 CO -0.11 0.16 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 2dir h LEU 62 N 0.89 -0.12 -7.76 2.58 3.38 -0.95 -3.44 115.31 109.90 2dir h LEU 62 Ca 0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.87 2dir h LEU 62 Cb 0.54 0.03 -0.37 0.00 0.09 0.00 0.00 40.66 40.96 2dir h LEU 62 CO -0.23 -0.07 -0.81 0.21 0.09 0.00 0.00 178.44 177.62 2dir s ASN 63 N -2.52 2.78 0.54 -0.43 3.84 -1.16 -4.69 114.94 113.30 2dir s ASN 63 Ca -0.02 -0.59 0.28 0.00 0.21 0.00 0.00 52.86 52.74 2dir s ASN 63 Cb 0.00 -1.05 1.43 0.00 -0.55 0.00 0.00 41.25 41.08 2dir s ASN 63 CO 0.06 -0.12 1.96 -1.28 -2.79 0.00 0.00 177.10 174.93 2dir h SER 64 N 8.08 0.00 0.27 -4.21 0.87 -1.84 0.37 113.55 117.08 2dir h SER 64 Ca -0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2dir h SER 64 Cb 1.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dir h SER 64 CO 0.46 0.00 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.35 2dir h GLU 65 N 0.00 0.00 -6.85 2.24 4.39 -1.94 -3.43 114.58 108.99 2dir h GLU 65 Ca 0.30 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.47 2dir h GLU 65 Cb 1.23 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.95 2dir h GLU 65 CO -0.00 0.08 0.71 -0.80 -1.16 0.00 0.00 179.01 177.84 2dir s ASN 66 N -6.13 6.64 -0.25 1.42 0.01 0.13 -4.45 114.94 112.31 2dir s ASN 66 Ca -0.03 2.76 -0.02 0.00 -0.71 0.00 0.00 52.86 54.86 2dir s ASN 66 Cb 0.14 -2.64 0.14 0.00 0.41 0.00 0.00 41.25 39.29 2dir s ASN 66 CO 0.57 -0.67 0.36 -0.54 -1.51 0.00 0.00 177.10 175.32 2dir s LYS 67 N -1.36 0.34 -0.01 -0.60 1.02 -0.49 -4.75 119.74 113.90 2dir s LYS 67 Ca 0.53 0.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 2dir s LYS 67 Cb -0.42 -0.53 -0.08 0.00 -0.52 0.00 0.00 37.83 36.29 2dir s LYS 67 CO 0.52 -0.75 1.92 0.54 -0.92 0.00 0.00 175.35 176.66 2dir s VAL 68 N 2.51 3.14 0.10 3.17 0.11 -1.26 -3.61 120.40 124.57 2dir s VAL 68 Ca 0.11 0.17 0.10 0.00 -2.93 0.00 0.00 61.98 59.44 2dir s VAL 68 Cb -0.15 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 2dir s VAL 68 CO -0.20 -0.02 -0.26 -0.62 -3.33 0.00 0.00 175.10 170.67 2dir s ASP 69 N 4.57 3.20 0.00 3.54 2.15 0.13 -4.81 116.67 125.45 2dir s ASP 69 Ca 0.86 -0.69 0.11 0.00 0.43 0.00 0.00 52.55 53.26 2dir s ASP 69 Cb -0.39 -0.23 0.13 0.00 -0.30 0.00 0.00 42.92 42.12 2dir s ASP 69 CO 0.38 0.19 0.93 0.18 -0.17 0.00 0.00 175.17 176.69 2dir n LEU 70 N 1.20 2.12 -0.06 -1.34 4.77 -1.26 -3.51 117.00 118.91 2dir n LEU 70 Ca -0.18 -1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 54.52 2dir n LEU 70 Cb 0.53 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2dir n LEU 70 CO 0.23 0.43 -0.68 0.41 -1.33 0.00 0.00 177.39 176.46 2dir n THR 71 N 0.61 1.31 -2.74 -5.08 -1.04 -1.26 -4.79 114.28 101.29 2dir n THR 71 Ca 0.07 0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 61.89 2dir n THR 71 Cb 0.31 -2.01 -0.02 0.00 -1.82 0.00 0.00 70.33 66.79 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 -4.07 4.68 -4.68 8.00 3.02 -1.26 -5.06 115.26 115.89 2dir n ASN 72 Ca -0.18 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.24 2dir n ASN 72 Cb 0.48 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -3.53 4.25 0.04 3.52 0.04 -1.26 -4.82 135.00 133.25 2dir s PRO 73 Ca 0.48 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 2dir s PRO 73 Cb 0.33 -3.66 -0.28 0.00 0.04 0.00 0.00 34.50 30.92 2dir s PRO 73 CO -0.16 -0.65 1.02 1.96 0.04 0.00 0.00 177.00 179.21 2dir h GLN 74 N 8.21 0.27 -4.65 4.56 1.08 -1.79 -3.43 115.11 119.36 2dir h GLN 74 Ca -0.38 -0.46 -0.56 0.00 -1.45 0.00 0.00 58.65 55.81 2dir h GLN 74 Cb 1.17 0.17 -0.34 0.00 -0.05 0.00 0.00 27.48 28.43 2dir h GLN 74 CO 0.92 1.18 -0.83 0.71 -0.95 0.00 0.00 178.83 179.86 2dir s TYR 75 N -2.64 1.78 -0.39 2.96 2.02 -0.96 -2.53 117.35 117.60 2dir s TYR 75 Ca -0.06 -0.79 -0.16 0.00 -0.37 0.00 0.00 57.07 55.69 2dir s TYR 75 Cb 0.07 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2dir s TYR 75 CO 0.87 -0.42 0.36 0.99 -1.57 0.00 0.00 175.55 175.79 2dir s THR 76 N 0.94 5.17 -0.46 -0.71 2.01 0.13 -1.39 115.64 121.33 2dir s THR 76 Ca -0.08 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 2dir s THR 76 Cb -0.15 -3.92 0.12 0.00 0.01 0.00 0.00 72.50 68.56 2dir s THR 76 CO -0.00 -0.26 0.33 0.68 -0.69 0.00 0.00 174.62 174.68 2dir s VAL 77 N 1.95 4.15 -0.02 3.82 -7.23 -0.95 -1.04 120.40 121.08 2dir s VAL 77 Ca 0.10 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2dir s VAL 77 Cb -0.17 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 2dir s VAL 77 CO 0.12 -0.75 0.18 0.68 -0.31 0.00 0.00 175.10 175.03 2dir s VAL 78 N 1.35 5.43 -0.34 1.32 -7.23 -0.81 -2.37 120.40 117.75 2dir s VAL 78 Ca 0.06 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 2dir s VAL 78 Cb -0.26 -3.53 0.09 0.00 0.56 0.00 0.00 36.38 33.25 2dir s VAL 78 CO -0.01 0.35 0.05 0.54 -0.31 0.00 0.00 175.10 175.72 2dir s VAL 79 N -1.30 2.43 0.13 1.32 0.11 -0.38 -1.20 120.40 121.51 2dir s VAL 79 Ca 0.26 -2.17 -0.15 0.00 -2.93 0.00 0.00 61.98 56.99 2dir s VAL 79 Cb -0.13 -2.71 -0.07 0.00 -1.53 0.00 0.00 36.38 31.95 2dir s VAL 79 CO 0.17 -0.51 0.55 -0.70 -3.33 0.00 0.00 175.10 171.29 2dir s GLU 80 N 0.98 4.03 -0.34 1.54 2.12 -0.43 -2.29 118.70 124.31 2dir s GLU 80 Ca 0.07 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 2dir s GLU 80 Cb -0.20 -3.00 0.06 0.00 0.26 0.00 0.00 34.13 31.26 2dir s GLU 80 CO -0.07 0.51 0.09 0.42 -0.54 0.00 0.00 175.26 175.67 2dir s ILE 81 N -1.39 3.41 -0.25 -3.70 -1.09 -1.11 -1.03 121.20 116.04 2dir s ILE 81 Ca 0.36 -1.40 -0.01 0.00 -2.23 0.00 0.00 60.65 57.37 2dir s ILE 81 Cb -0.16 -3.02 0.07 0.00 -1.58 0.00 0.00 42.46 37.78 2dir s ILE 81 CO 0.19 -0.26 0.02 -0.63 -1.23 0.00 0.00 174.94 173.04 2dir s ILE 82 N 1.30 1.10 -0.93 2.92 1.01 -1.16 -4.65 121.20 120.80 2dir s ILE 82 Ca -0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 2dir s ILE 82 Cb -0.20 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2dir s ILE 82 CO 0.00 -0.33 0.80 0.29 0.00 0.00 0.00 174.94 175.70 2dir n LYS 83 N 4.80 -5.36 -3.33 2.79 4.76 -1.26 -3.15 118.16 117.42 2dir n LYS 83 Ca -0.07 0.60 -0.17 0.00 -2.87 0.00 0.00 58.31 55.80 2dir n LYS 83 Cb 0.44 -4.92 0.08 0.00 -1.84 0.00 0.00 35.03 28.79 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 -3.90 -1.61 -2.77 7.82 0.00 -1.26 -5.02 120.51 113.77 2dir n ALA 84 Ca -0.07 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 2dir n ALA 84 Cb 0.57 -3.00 -0.13 0.00 0.00 0.00 0.00 19.45 16.89 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 -3.31 0.61 -0.56 0.00 0.11 -1.19 -5.11 120.40 110.96 2dir s VAL 85 Ca 0.15 -0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 58.35 2dir s VAL 85 Cb -0.07 -0.58 0.12 0.00 -1.53 0.00 0.00 36.38 34.32 2dir s VAL 85 CO 0.65 -0.07 0.57 0.00 -3.33 0.00 0.00 175.10 172.92 2dir s LEU 88 N 2.14 4.09 -0.20 0.00 1.02 -1.26 -1.31 118.68 123.16 2dir s LEU 88 Ca 0.11 0.62 -0.02 0.00 0.02 0.00 0.00 54.13 54.85 2dir s LEU 88 Cb -0.24 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 42.92 2dir s LEU 88 CO 0.03 -0.62 -0.11 -0.55 0.02 0.00 0.00 176.35 175.12 2dir s SER 89 N 1.64 3.80 -0.14 2.29 0.15 -0.34 -4.96 113.70 116.14 2dir s SER 89 Ca 0.32 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 2dir s SER 89 Cb -0.14 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2dir s SER 89 CO 0.13 -0.01 0.25 -0.69 1.20 0.00 0.00 173.24 174.12 2dir s VAL 90 N 1.38 5.32 -0.11 4.45 1.01 -1.26 -1.93 120.40 129.27 2dir s VAL 90 Ca 0.05 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2dir s VAL 90 Cb -0.14 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2dir s VAL 90 CO -0.07 0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 174.79 2dir s VAL 91 N 0.02 0.58 -0.38 2.92 1.01 -0.21 -4.95 120.40 119.39 2dir s VAL 91 Ca 0.16 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 2dir s VAL 91 Cb -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2dir s VAL 91 CO 0.04 0.17 0.93 -0.75 0.00 0.00 0.00 175.10 175.49 2dir s LYS 92 N 1.88 3.79 -0.37 2.72 2.20 -1.26 -0.69 119.74 128.01 2dir s LYS 92 Ca 0.03 0.51 0.04 0.00 -0.36 0.00 0.00 55.97 56.20 2dir s LYS 92 Cb -0.14 -3.82 0.10 0.00 -1.51 0.00 0.00 37.83 32.47 2dir s LYS 92 CO -0.07 -0.99 0.08 0.45 -0.36 0.00 0.00 175.35 174.47 2dir s SER 93 N 1.94 4.68 -0.01 1.43 0.15 -1.05 -5.02 113.70 115.82 2dir s SER 93 Ca 0.38 -2.28 -0.04 0.00 0.70 0.00 0.00 55.95 54.71 2dir s SER 93 Cb -0.12 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 2dir s SER 93 CO 0.20 -0.36 0.20 -0.83 1.20 0.00 0.00 173.24 173.65 2dir s GLY 94 N 0.73 2.19 0.26 9.45 0.00 -1.26 -4.62 107.32 114.07 2dir s GLY 94 Ca 0.12 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 2dir s GLY 94 CO -0.07 -0.59 1.26 2.56 0.00 0.00 0.00 173.10 176.25 2dir s PRO 95 N -1.88 4.43 -0.69 2.90 0.04 -1.26 -5.00 135.00 133.55 2dir s PRO 95 Ca 0.27 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.40 2dir s PRO 95 Cb -0.13 -3.15 0.17 0.00 0.04 0.00 0.00 34.50 31.43 2dir s PRO 95 CO 0.18 -0.13 0.48 -1.12 0.04 0.00 0.00 177.00 176.45 2dir s SER 96 N -0.21 4.89 0.74 6.66 0.01 -1.26 -5.09 113.70 119.44 2dir s SER 96 Ca 0.51 -3.61 -0.14 0.00 1.31 0.00 0.00 55.95 54.02 2dir s SER 96 Cb -0.36 -1.69 0.05 0.00 0.21 0.00 0.00 66.02 64.22 2dir s SER 96 CO 0.44 -0.14 1.18 -0.94 0.41 0.00 0.00 173.24 174.18 2dir s SER 97 N -0.93 4.22 0.00 2.44 1.04 -1.26 -5.37 113.70 113.84 2dir s SER 97 Ca 0.23 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.91 2dir s SER 97 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2dir s SER 97 CO -0.12 -2.24 0.00 0.61 0.98 0.00 0.00 173.24 172.47