#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n GLN 2 N 0.00 0.00 -1.67 2.12 1.13 -1.26 0.33 117.38 118.03 3df2 n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3df2 n GLN 2 Cb 0.00 -0.35 0.00 0.00 0.11 0.00 0.00 30.24 30.00 3df2 n GLN 2 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3df2 n VAL 3 N -2.24 -4.88 -3.64 5.09 0.24 -1.26 -3.88 118.33 107.76 3df2 n VAL 3 Ca 0.00 2.26 -0.36 0.00 -2.04 0.00 0.00 64.34 64.20 3df2 n VAL 3 Cb 0.00 -3.19 -0.08 0.00 -1.47 0.00 0.00 33.84 29.10 3df2 n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3df2 s ILE 4 N -3.86 5.36 0.90 1.34 1.09 0.50 -2.82 121.20 123.70 3df2 s ILE 4 Ca 0.00 0.33 -0.11 0.00 -1.10 0.00 0.00 60.65 59.77 3df2 s ILE 4 Cb 0.00 -3.54 0.12 0.00 -1.06 0.00 0.00 42.46 37.98 3df2 s ILE 4 CO 0.00 0.40 1.06 0.18 -0.10 0.00 0.00 174.94 176.48 3df2 n LEU 5 N 3.72 3.05 0.00 2.97 4.77 0.18 -2.14 117.00 129.55 3df2 n LEU 5 Ca -0.14 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3df2 n LEU 5 Cb 0.52 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3df2 n LEU 5 CO 0.38 -2.28 0.09 0.18 -1.33 0.00 0.00 177.39 174.43 3df2 n LEU 6 N -3.68 0.24 0.00 2.23 4.32 -1.02 -2.61 117.00 116.49 3df2 n LEU 6 Ca 0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3df2 n LEU 6 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3df2 n LEU 6 CO 0.49 0.06 0.00 -0.67 -1.22 0.00 0.00 177.39 176.05 3df2 n ASP 7 N -0.02 0.66 0.00 -1.43 4.64 -1.26 -4.68 116.55 114.46 3df2 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3df2 n ASP 7 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.32 3df2 n ASP 7 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3df2 n LYS 8 N 0.00 0.00 -1.67 -0.67 5.02 -1.26 -2.86 118.16 116.72 3df2 n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3df2 n LYS 8 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 3df2 n LYS 8 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3df2 n VAL 9 N 0.00-10.17 0.00 -0.18 0.31 -1.26 -3.81 118.33 103.21 3df2 n VAL 9 Ca 0.00 2.39 0.00 0.00 -0.01 0.00 0.00 64.34 66.72 3df2 n VAL 9 Cb 0.00 -4.65 0.00 0.00 -0.91 0.00 0.00 33.84 28.28 3df2 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df2 n ALA 10 N 1.33 0.00 0.27 3.52 0.00 -1.26 -3.14 120.51 121.22 3df2 n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df2 n ASN 11 N 0.00 0.98 -2.68 0.00 4.13 -1.26 -3.73 115.26 112.70 3df2 n ASN 11 Ca 0.00 -0.68 -0.04 0.00 1.68 0.00 0.00 54.58 55.54 3df2 n ASN 11 Cb 0.00 -0.17 0.06 0.00 -1.54 0.00 0.00 39.78 38.13 3df2 n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3df2 n LEU 12 N 0.93 -1.56 -4.13 3.41 -0.00 -1.24 -5.17 117.00 109.25 3df2 n LEU 12 Ca 0.00 -1.65 -0.19 0.00 -0.00 0.00 0.00 56.01 54.17 3df2 n LEU 12 Cb 0.15 0.58 -0.13 0.00 -0.00 0.00 0.00 43.42 44.03 3df2 n LEU 12 CO 0.00 1.48 -0.45 -0.83 -0.00 0.00 0.00 177.39 177.59 3df2 s GLY 13 N 0.10 0.74 0.00 1.47 0.00 -1.19 -4.70 107.32 103.74 3df2 s GLY 13 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3df2 s GLY 13 CO -0.10 -0.80 0.10 1.44 0.00 0.00 0.00 173.10 173.73 3df2 n SER 14 N 1.81 0.00 -0.14 1.64 7.64 -1.24 -4.97 113.62 118.36 3df2 n SER 14 Ca -0.19 -0.75 -0.01 0.00 1.01 0.00 0.00 58.87 58.93 3df2 n SER 14 Cb 0.55 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 3df2 n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3df2 n LEU 15 N 0.00 0.48 0.00 -3.43 -0.00 -1.14 -4.43 117.00 108.48 3df2 n LEU 15 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 3df2 n LEU 15 Cb 0.37 -1.80 0.00 0.00 -0.00 0.00 0.00 43.42 41.99 3df2 n LEU 15 CO 0.00 -0.64 0.00 0.61 -0.00 0.00 0.00 177.39 177.36 3df2 n GLY 16 N 0.55 -1.32 3.58 -3.96 0.00 -1.07 -4.50 105.19 98.46 3df2 n GLY 16 Ca -0.01 0.71 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 3df2 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3df2 s ASP 17 N 0.00 -0.66 -0.28 1.61 2.15 -1.24 -4.89 116.67 113.37 3df2 s ASP 17 Ca 0.00 0.99 -0.18 0.00 0.43 0.00 0.00 52.55 53.79 3df2 s ASP 17 Cb 0.00 0.91 -0.02 0.00 -0.30 0.00 0.00 42.92 43.51 3df2 s ASP 17 CO 0.00 -0.42 0.51 -1.58 -0.17 0.00 0.00 175.17 173.51 3df2 s GLN 18 N -0.47 3.95 -0.02 4.34 0.74 -1.26 0.51 119.66 127.45 3df2 s GLN 18 Ca -0.05 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.56 3df2 s GLN 18 Cb -0.02 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 30.41 3df2 s GLN 18 CO 0.05 -0.42 -0.03 0.08 -0.55 0.00 0.00 175.29 174.42 3df2 s VAL 19 N 2.33 0.32 0.14 1.34 1.01 -1.13 -5.01 120.40 119.41 3df2 s VAL 19 Ca 0.20 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 3df2 s VAL 19 Cb -0.16 -0.35 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 3df2 s VAL 19 CO 0.10 0.15 1.77 0.21 0.00 0.00 0.00 175.10 177.33 3df2 s ASN 20 N 0.63 6.44 0.30 3.32 3.84 -1.26 -4.40 114.94 123.81 3df2 s ASN 20 Ca -0.07 2.75 0.03 0.00 0.21 0.00 0.00 52.86 55.78 3df2 s ASN 20 Cb -0.10 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 37.99 3df2 s ASN 20 CO -0.01 -0.97 0.17 0.54 -2.79 0.00 0.00 177.10 174.04 3df2 s VAL 21 N 2.27 0.24 0.01 -5.21 0.11 0.15 -4.97 120.40 113.00 3df2 s VAL 21 Ca 0.78 -2.00 -0.13 0.00 -2.93 0.00 0.00 61.98 57.70 3df2 s VAL 21 Cb -0.46 -2.51 -0.06 0.00 -1.53 0.00 0.00 36.38 31.83 3df2 s VAL 21 CO 0.35 0.00 0.38 -0.54 -3.33 0.00 0.00 175.10 171.96 3df2 s LYS 22 N -3.81 3.84 0.49 1.54 -0.14 -1.26 -4.11 119.74 116.29 3df2 s LYS 22 Ca 0.37 0.31 0.31 0.00 -1.36 0.00 0.00 55.97 55.60 3df2 s LYS 22 Cb 0.05 -3.16 1.70 0.00 -1.68 0.00 0.00 37.83 34.73 3df2 s LYS 22 CO 0.18 0.67 1.95 0.00 -0.76 0.00 0.00 175.35 177.39 3df2 h ALA 23 N 4.49 1.04 0.00 5.17 0.00 -1.92 0.50 119.26 128.54 3df2 h ALA 23 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3df2 h ALA 23 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3df2 h ALA 23 CO 0.62 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3df2 n GLY 24 N -1.20 -1.29 0.12 0.00 0.00 -1.26 -2.88 105.19 98.68 3df2 n GLY 24 Ca -0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 3df2 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3df2 n TYR 25 N -1.40 0.00 -2.45 1.61 4.19 0.17 -4.67 117.16 114.61 3df2 n TYR 25 Ca 0.09 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 61.04 3df2 n TYR 25 Cb 0.26 -0.98 0.03 0.00 0.49 0.00 0.00 39.34 39.13 3df2 n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3df2 s ALA 26 N -2.50 3.34 0.00 2.98 0.00 -1.05 0.17 121.76 124.70 3df2 s ALA 26 Ca -0.25 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3df2 s ALA 26 Cb 0.08 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3df2 s ALA 26 CO 0.68 -0.74 0.00 0.54 0.00 0.00 0.00 175.76 176.23 3df2 n ARG 27 N -2.53 -1.64 0.00 0.00 5.12 -1.26 -4.33 116.66 112.02 3df2 n ARG 27 Ca 0.04 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 3df2 n ARG 27 Cb 0.57 -3.97 0.00 0.00 -1.16 0.00 0.00 32.46 27.90 3df2 n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3df2 n ASN 28 N 0.33 0.84 0.07 0.55 5.03 -1.24 -4.83 115.26 116.00 3df2 n ASN 28 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3df2 n ASN 28 Cb 0.27 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 3df2 n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3df2 n PHE 29 N -0.59 -3.04 -0.42 3.10 7.35 0.22 -4.90 117.46 119.18 3df2 n PHE 29 Ca 0.00 0.47 0.40 0.00 -0.76 0.00 0.00 57.45 57.56 3df2 n PHE 29 Cb 0.06 1.51 0.74 0.00 0.35 0.00 0.00 39.48 42.13 3df2 n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3df2 h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -0.61 -3.35 115.31 112.60 3df2 h LEU 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3df2 h LEU 30 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3df2 h LEU 30 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.05 3df2 n VAL 31 N -3.92 0.00 -0.19 1.22 0.31 -1.26 -1.51 118.33 112.98 3df2 n VAL 31 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3df2 n VAL 31 Cb 1.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 3df2 n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3df2 n PRO 32 N 0.00 0.00 0.00 5.55 -0.02 -1.26 -0.39 135.00 138.88 3df2 n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3df2 n PRO 32 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 3df2 n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3df2 n GLN 33 N 0.75 0.00 -1.60 -0.52 7.27 -1.26 -4.66 117.38 117.36 3df2 n GLN 33 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 3df2 n GLN 33 Cb 0.07 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.72 3df2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3df2 n GLY 34 N 0.00 -0.37 0.00 1.69 0.00 0.48 -5.03 105.19 101.96 3df2 n GLY 34 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3df2 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 35 N -1.04 0.00 -3.70 1.61 4.76 -1.11 -4.94 118.16 113.75 3df2 n LYS 35 Ca 0.00 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 3df2 n LYS 35 Cb 0.49 -0.35 -0.00 0.00 -1.84 0.00 0.00 35.03 33.33 3df2 n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3df2 s ALA 36 N 0.00 -2.06 -0.15 7.82 0.00 -0.57 -2.42 121.76 124.38 3df2 s ALA 36 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 3df2 s ALA 36 Cb 0.00 0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.69 3df2 s ALA 36 CO 0.00 -1.06 0.33 0.54 0.00 0.00 0.00 175.76 175.57 3df2 s VAL 37 N -2.60 -0.35 0.60 0.00 0.11 -0.91 -4.76 120.40 112.49 3df2 s VAL 37 Ca 0.15 0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 59.22 3df2 s VAL 37 Cb 0.02 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 34.26 3df2 s VAL 37 CO -0.01 0.08 0.44 -2.65 -3.33 0.00 0.00 175.10 169.63 3df2 n PRO 38 N 4.97 0.42 -0.85 1.54 -0.02 -1.26 -0.37 135.00 139.42 3df2 n PRO 38 Ca -0.13 0.17 -0.26 0.00 -2.02 0.00 0.00 63.50 61.26 3df2 n PRO 38 Cb 0.51 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 3df2 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df2 n ALA 39 N -1.82 4.97 0.96 3.55 0.00 -1.26 -4.58 120.51 122.32 3df2 n ALA 39 Ca 0.11 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.25 3df2 n ALA 39 Cb 0.48 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.83 3df2 n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df2 n THR 40 N 4.27 0.00 0.00 0.00 -2.24 -1.26 -4.82 114.28 110.23 3df2 n THR 40 Ca 0.49 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 3df2 n THR 40 Cb 0.17 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3df2 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3df2 n LYS 41 N -0.36 0.00 0.00 -0.78 4.01 -1.26 -4.42 118.16 115.35 3df2 n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3df2 n LYS 41 Cb 0.03 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 3df2 n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3df2 n LYS 42 N 0.00 0.00 0.00 1.97 5.02 -1.26 -0.01 118.16 123.88 3df2 n LYS 42 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3df2 n LYS 42 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3df2 n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3df2 n ASN 43 N -1.16 1.32 0.00 4.39 3.02 -1.26 -4.37 115.26 117.20 3df2 n ASN 43 Ca 0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 3df2 n ASN 43 Cb 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3df2 n ASN 43 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3df2 n ILE 44 N -0.30 0.00 0.87 2.41 5.41 0.98 -4.44 119.36 124.29 3df2 n ILE 44 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3df2 n ILE 44 Cb 0.28 -0.37 0.47 0.00 -0.71 0.00 0.00 39.64 39.31 3df2 n ILE 44 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3df2 n GLU 45 N -1.86 0.23 0.00 0.38 2.13 -0.69 0.56 120.64 121.38 3df2 n GLU 45 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3df2 n GLU 45 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3df2 n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3df2 n PHE 46 N -1.32 0.00 -0.60 4.31 3.72 -1.05 -4.60 117.46 117.92 3df2 n PHE 46 Ca 0.08 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3df2 n PHE 46 Cb 0.17 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3df2 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3df2 n PHE 47 N -0.15 0.00 -0.13 1.38 -0.00 -0.80 -4.84 117.46 112.92 3df2 n PHE 47 Ca 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.45 57.31 3df2 n PHE 47 Cb 0.12 -0.01 0.02 0.00 -0.00 0.00 0.00 39.48 39.61 3df2 n PHE 47 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3df2 h GLU 48 N 0.00 -0.04 -0.00 -4.13 9.09 -0.14 0.57 114.58 119.92 3df2 h GLU 48 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.43 3df2 h GLU 48 Cb 0.53 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 3df2 h GLU 48 CO 0.00 -0.03 -0.06 0.00 0.05 0.00 0.00 179.01 178.97 3df2 h ALA 49 N 1.35 -0.06 -0.48 1.06 0.00 -1.87 -2.06 119.26 117.19 3df2 h ALA 49 Ca 0.21 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3df2 h ALA 49 Cb 0.37 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3df2 h ALA 49 CO -0.47 -0.56 0.08 0.00 0.00 0.00 0.00 179.25 178.30 3df2 h ARG 50 N -0.11 0.20 -1.49 0.00 -0.00 -1.59 0.13 114.38 111.52 3df2 h ARG 50 Ca 0.03 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.98 59.36 3df2 h ARG 50 Cb 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 29.97 30.00 3df2 h ARG 50 CO -0.07 0.13 0.17 0.54 0.00 0.00 0.00 179.97 180.75 3df2 n ARG 51 N -5.13 1.33 -2.65 0.04 1.74 0.19 -3.61 116.66 108.57 3df2 n ARG 51 Ca 0.05 -0.69 -0.04 0.00 -0.77 0.00 0.00 57.85 56.40 3df2 n ARG 51 Cb 0.24 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 3df2 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df2 n ALA 52 N 0.66 -1.73 -1.51 7.54 0.00 0.41 -4.93 120.51 120.95 3df2 n ALA 52 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 3df2 n ALA 52 Cb 0.62 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 19.23 3df2 n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3df2 n GLU 53 N -0.53 2.07 0.00 0.00 4.71 -0.95 -3.93 120.64 122.02 3df2 n GLU 53 Ca -0.23 -3.31 0.00 0.00 -0.01 0.00 0.00 57.16 53.61 3df2 n GLU 53 Cb 0.68 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3df2 n GLU 53 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3df2 n LEU 54 N -1.07 0.03 0.03 -4.62 -0.00 -1.26 -4.40 117.00 105.70 3df2 n LEU 54 Ca 0.37 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 3df2 n LEU 54 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 3df2 n LEU 54 CO 0.26 0.01 0.00 -0.62 -0.00 0.00 0.00 177.39 177.04 3df2 n GLU 55 N -0.17 0.00 0.00 1.47 -0.58 -1.26 0.59 120.64 120.69 3df2 n GLU 55 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3df2 n GLU 55 Cb 0.03 -0.17 0.02 0.00 -0.57 0.00 0.00 31.44 30.75 3df2 n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df2 n ALA 56 N -2.90 1.15 0.00 0.62 0.00 -1.25 -3.42 120.51 114.71 3df2 n ALA 56 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 56 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3df2 n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df2 n LYS 57 N -1.38 0.00 0.00 0.00 2.85 -1.26 -5.02 118.16 113.35 3df2 n LYS 57 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3df2 n LYS 57 Cb 0.01 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 3df2 n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3df2 n LEU 58 N -1.93 0.04 -4.46 -5.58 7.94 -1.22 -4.17 117.00 107.63 3df2 n LEU 58 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 3df2 n LEU 58 Cb 0.12 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.97 3df2 n LEU 58 CO 0.00 0.00 1.07 0.00 -1.11 0.00 0.00 177.39 177.35 3df2 n ALA 59 N -2.95 0.25 0.00 1.96 0.00 0.20 -0.07 120.51 119.89 3df2 n ALA 59 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.33 3df2 n ALA 59 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.41 3df2 n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3df2 n GLU 60 N 7.70 0.00 0.00 0.00 0.28 -1.25 -4.61 120.64 122.76 3df2 n GLU 60 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 3df2 n GLU 60 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 3df2 n GLU 60 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 3df2 n VAL 61 N 0.00 0.00 -1.39 3.84 3.14 -0.50 -5.06 118.33 118.36 3df2 n VAL 61 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 3df2 n VAL 61 Cb 0.00 0.60 -0.13 0.00 -1.06 0.00 0.00 33.84 33.25 3df2 n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3df2 n LEU 62 N 0.00 -0.65 -2.07 6.55 -0.00 0.89 -4.69 117.00 117.04 3df2 n LEU 62 Ca 0.00 -1.18 -0.25 0.00 -0.00 0.00 0.00 56.01 54.58 3df2 n LEU 62 Cb 0.41 -0.91 0.13 0.00 -0.00 0.00 0.00 43.42 43.05 3df2 n LEU 62 CO 0.00 -1.98 1.15 0.00 -0.00 0.00 0.00 177.39 176.56 3df2 n ALA 63 N 9.53 5.61 -0.38 1.47 0.00 -1.26 -4.65 120.51 130.83 3df2 n ALA 63 Ca 0.43 -3.23 0.31 0.00 0.00 0.00 0.00 53.44 50.95 3df2 n ALA 63 Cb 0.33 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 19.03 3df2 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 h ALA 64 N 1.46 2.57 0.00 0.00 0.00 -1.99 -3.39 119.26 117.90 3df2 h ALA 64 Ca 0.54 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3df2 h ALA 64 Cb 1.82 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3df2 h ALA 64 CO 1.13 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3df2 n ALA 65 N -2.53 0.00 0.05 0.00 0.00 -1.26 -5.01 120.51 111.75 3df2 n ALA 65 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3df2 n ALA 65 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.62 3df2 n ALA 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df2 n ASN 66 N 0.00 1.47 -0.35 0.00 2.04 -1.26 -3.48 115.26 113.68 3df2 n ASN 66 Ca 0.00 -1.14 0.13 0.00 -0.44 0.00 0.00 54.58 53.13 3df2 n ASN 66 Cb 0.00 -0.29 0.32 0.00 -2.53 0.00 0.00 39.78 37.28 3df2 n ASN 66 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3df2 n ALA 67 N 1.41 3.06 0.81 -2.53 0.00 -1.26 -4.07 120.51 117.93 3df2 n ALA 67 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 52.98 3df2 n ALA 67 Cb 0.17 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.61 3df2 n ALA 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df2 n ARG 68 N -0.33 0.41 0.00 0.00 5.12 -1.23 -3.65 116.66 116.98 3df2 n ARG 68 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3df2 n ARG 68 Cb 0.38 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 3df2 n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3df2 n ALA 69 N -0.57 0.00 0.12 7.54 0.00 -1.26 -3.74 120.51 122.60 3df2 n ALA 69 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3df2 n ALA 69 Cb 0.01 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.70 3df2 n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3df2 n GLU 70 N 0.00 0.06 -0.14 0.00 -0.58 -0.80 -3.17 120.64 116.01 3df2 n GLU 70 Ca 0.00 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.35 3df2 n GLU 70 Cb 0.00 -1.99 0.24 0.00 -0.57 0.00 0.00 31.44 29.11 3df2 n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3df2 n LYS 71 N -1.82 -0.03 -3.12 3.49 3.00 -1.24 -3.58 118.16 114.85 3df2 n LYS 71 Ca -0.01 0.61 -0.43 0.00 -0.00 0.00 0.00 58.31 58.48 3df2 n LYS 71 Cb 0.30 -1.08 -0.07 0.00 0.00 0.00 0.00 35.03 34.19 3df2 n LYS 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3df2 s ILE 72 N -4.76 4.84 0.00 3.15 2.07 -1.19 -4.56 121.20 120.75 3df2 s ILE 72 Ca -0.04 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 3df2 s ILE 72 Cb 0.15 -4.22 0.00 0.00 0.13 0.00 0.00 42.46 38.51 3df2 s ILE 72 CO 0.34 -0.64 0.00 -0.46 -1.91 0.00 0.00 174.94 172.27 3df2 n ASN 73 N 6.24 0.00 -3.94 4.50 2.04 -1.23 -4.26 115.26 118.61 3df2 n ASN 73 Ca -0.03 0.00 -0.30 0.00 -0.44 0.00 0.00 54.58 53.81 3df2 n ASN 73 Cb 0.47 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.60 3df2 n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3df2 s ALA 74 N -0.96 3.65 0.00 -2.53 0.00 -1.26 -5.02 121.76 115.63 3df2 s ALA 74 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 51.96 48.36 3df2 s ALA 74 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3df2 s ALA 74 CO 0.00 -2.07 0.00 1.28 0.00 0.00 0.00 175.76 174.97 3df2 n LEU 75 N 2.50 0.00 -1.41 0.00 4.32 -1.26 -5.01 117.00 116.15 3df2 n LEU 75 Ca 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.07 3df2 n LEU 75 Cb 0.34 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.17 3df2 n LEU 75 CO 0.31 0.00 0.83 -0.62 -1.22 0.00 0.00 177.39 176.69 3df2 n GLU 76 N 0.00 1.26 -1.95 3.23 4.71 -1.26 -4.90 120.64 121.73 3df2 n GLU 76 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.58 3df2 n GLU 76 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3df2 n GLU 76 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3df2 n THR 77 N 0.57-12.41 -1.04 2.62 -1.04 -1.26 -4.63 114.28 97.09 3df2 n THR 77 Ca 0.11 3.05 -0.25 0.00 -2.04 0.00 0.00 64.05 64.92 3df2 n THR 77 Cb 0.63 -5.29 -0.07 0.00 -1.82 0.00 0.00 70.33 63.79 3df2 n THR 77 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3df2 n VAL 78 N 1.70 3.33 -2.74 12.58 0.31 -1.26 -4.86 118.33 127.39 3df2 n VAL 78 Ca 0.00 -1.89 -0.42 0.00 -0.01 0.00 0.00 64.34 62.02 3df2 n VAL 78 Cb 0.00 -2.27 -0.04 0.00 -0.91 0.00 0.00 33.84 30.63 3df2 n VAL 78 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3df2 s THR 79 N 2.03 4.12 -0.42 2.52 -4.23 -1.26 -2.63 115.64 115.77 3df2 s THR 79 Ca 0.60 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 3df2 s THR 79 Cb 0.20 -4.73 0.11 0.00 1.34 0.00 0.00 72.50 69.42 3df2 s THR 79 CO -0.03 -1.50 0.23 -0.63 -0.54 0.00 0.00 174.62 172.15 3df2 s ILE 80 N 4.63 3.60 1.20 2.99 1.01 -1.16 -4.65 121.20 128.82 3df2 s ILE 80 Ca 0.30 -1.88 -0.19 0.00 0.00 0.00 0.00 60.65 58.87 3df2 s ILE 80 Cb -0.12 -3.39 0.30 0.00 0.01 0.00 0.00 42.46 39.25 3df2 s ILE 80 CO 0.15 -0.66 0.68 0.00 0.00 0.00 0.00 174.94 175.11 3df2 n ALA 81 N 4.71 -4.15 -1.88 9.38 0.00 -1.09 -2.93 120.51 124.55 3df2 n ALA 81 Ca -0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 53.44 52.16 3df2 n ALA 81 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 3df2 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3df2 n SER 82 N -4.79 -0.31 -2.75 0.00 2.88 -1.26 -4.69 113.62 102.71 3df2 n SER 82 Ca 0.11 -1.17 -0.03 0.00 -1.33 0.00 0.00 58.87 56.45 3df2 n SER 82 Cb 0.47 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 3df2 n SER 82 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3df2 n LYS 83 N 0.00 -3.51 -3.10 -1.46 0.00 -1.26 -1.97 118.16 106.87 3df2 n LYS 83 Ca -0.09 2.77 -0.22 0.00 0.00 0.00 0.00 58.31 60.77 3df2 n LYS 83 Cb 0.50 -4.32 0.01 0.00 0.00 0.00 0.00 35.03 31.22 3df2 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df2 s ALA 84 N -0.93 3.92 0.00 3.14 0.00 -1.26 0.25 121.76 126.88 3df2 s ALA 84 Ca -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3df2 s ALA 84 Cb 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3df2 s ALA 84 CO 0.63 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3df2 n GLY 85 N -1.97 -0.33 2.45 0.00 0.00 0.14 -4.76 105.19 100.72 3df2 n GLY 85 Ca 0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 3df2 n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df2 n ASP 86 N 0.00 -6.35 -1.87 1.61 8.00 -1.26 0.26 116.55 116.95 3df2 n ASP 86 Ca 0.00 1.13 -0.11 0.00 0.71 0.00 0.00 54.79 56.52 3df2 n ASP 86 Cb 0.00 -4.42 -0.03 0.00 -0.02 0.00 0.00 41.12 36.66 3df2 n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3df2 n GLU 87 N 0.61 -1.77 -1.20 -1.24 4.71 -1.26 -1.72 120.64 118.77 3df2 n GLU 87 Ca -0.02 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.71 3df2 n GLU 87 Cb 0.03 -4.97 0.00 0.00 -1.01 0.00 0.00 31.44 25.50 3df2 n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3df2 n GLY 88 N -0.47 0.98 0.00 0.62 0.00 -1.25 -5.10 105.19 99.96 3df2 n GLY 88 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3df2 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df2 n LYS 89 N -0.25 3.91 -3.48 1.61 0.00 0.14 -4.87 118.16 115.23 3df2 n LYS 89 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 3df2 n LYS 89 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.22 3df2 n LYS 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3df2 n LEU 90 N 0.00 0.00 0.00 3.14 4.32 -1.17 0.23 117.00 123.52 3df2 n LEU 90 Ca 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 56.01 53.97 3df2 n LEU 90 Cb 0.00 0.88 0.00 0.00 -1.62 0.00 0.00 43.42 42.68 3df2 n LEU 90 CO 0.00 -0.32 0.00 0.49 -1.22 0.00 0.00 177.39 176.34 3df2 n PHE 91 N -0.49 -0.01 -2.03 -1.77 3.01 0.69 -4.49 117.46 112.36 3df2 n PHE 91 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3df2 n PHE 91 Cb 0.39 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 3df2 n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3df2 n GLY 92 N 3.33 1.18 3.31 1.37 0.00 -0.83 -5.05 105.19 108.49 3df2 n GLY 92 Ca 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 3df2 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df2 s SER 93 N -1.00 2.01 -0.03 1.61 0.01 -1.26 -4.86 113.70 110.17 3df2 s SER 93 Ca 0.00 -1.10 0.03 0.00 1.31 0.00 0.00 55.95 56.19 3df2 s SER 93 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3df2 s SER 93 CO 0.00 -0.37 -0.12 -0.63 0.41 0.00 0.00 173.24 172.53 3df2 s ILE 94 N -3.28 1.00 0.00 1.44 -1.09 -1.26 -4.96 121.20 113.05 3df2 s ILE 94 Ca 0.23 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 3df2 s ILE 94 Cb 0.03 -0.88 0.00 0.00 -1.58 0.00 0.00 42.46 40.03 3df2 s ILE 94 CO 0.05 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3df2 n GLY 95 N 3.30 -0.80 0.84 6.18 0.00 -1.26 -5.00 105.19 108.45 3df2 n GLY 95 Ca -0.19 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3df2 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df2 n THR 96 N -0.63 0.00 -0.01 2.61 -2.24 -1.26 -4.54 114.28 108.21 3df2 n THR 96 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3df2 n THR 96 Cb 0.00 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3df2 n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3df2 n ARG 97 N -2.78 0.44 0.00 -0.78 0.63 -1.26 -2.47 116.66 110.43 3df2 n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3df2 n ARG 97 Cb 0.43 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.06 3df2 n ARG 97 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3df2 n ASP 98 N 1.46 0.00 -0.08 6.15 5.75 -1.26 -4.84 116.55 123.72 3df2 n ASP 98 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 3df2 n ASP 98 Cb 0.22 0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.28 3df2 n ASP 98 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3df2 h ILE 99 N 0.00 1.28 0.05 2.12 1.08 -1.72 -2.39 117.51 117.94 3df2 h ILE 99 Ca 0.00 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3df2 h ILE 99 Cb 0.00 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3df2 h ILE 99 CO 0.00 0.33 -0.02 0.00 -0.69 0.00 0.00 178.15 177.77 3df2 h ALA 100 N 0.76 -0.06 0.00 1.87 0.00 -1.79 -2.84 119.26 117.20 3df2 h ALA 100 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3df2 h ALA 100 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3df2 h ALA 100 CO 0.02 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 3df2 n ASP 101 N -5.01 0.00 -0.25 0.00 9.92 -1.24 -3.22 116.55 116.75 3df2 n ASP 101 Ca -0.08 0.48 0.16 0.00 -0.53 0.00 0.00 54.79 54.82 3df2 n ASP 101 Cb 0.15 -0.49 0.45 0.00 -0.64 0.00 0.00 41.12 40.59 3df2 n ASP 101 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3df2 h ALA 102 N 2.56 2.02 -0.33 2.24 0.00 -1.16 -0.11 119.26 124.48 3df2 h ALA 102 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3df2 h ALA 102 Cb 0.27 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3df2 h ALA 102 CO 0.00 -0.29 0.27 1.33 0.00 0.00 0.00 179.25 180.56 3df2 n VAL 103 N -4.54 2.27 0.00 0.00 0.24 -1.20 -4.60 118.33 110.50 3df2 n VAL 103 Ca 0.18 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 3df2 n VAL 103 Cb 0.58 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3df2 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3df2 n THR 104 N 0.44 0.00 0.42 3.34 5.66 -0.06 -3.35 114.28 120.73 3df2 n THR 104 Ca 0.21 1.08 0.09 0.00 -3.05 0.00 0.00 64.05 62.37 3df2 n THR 104 Cb 0.67 -2.03 0.37 0.00 -1.55 0.00 0.00 70.33 67.79 3df2 n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3df2 n ALA 105 N -0.97 1.61 1.24 1.79 0.00 -1.26 -2.48 120.51 120.44 3df2 n ALA 105 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3df2 n ALA 105 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3df2 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 106 N -1.61 2.13 0.00 0.00 0.00 -1.21 -4.85 120.51 114.97 3df2 n ALA 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3df2 n ALA 106 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3df2 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 107 N 0.14 0.90 0.00 0.00 0.00 -1.03 -4.83 105.19 100.37 3df2 n GLY 107 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3df2 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df2 n VAL 108 N 0.00 0.00 0.00 1.61 0.31 -1.25 -4.97 118.33 114.03 3df2 n VAL 108 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df2 n VAL 108 Cb 0.00 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3df2 n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3df2 n GLU 109 N -0.66 0.00 -4.44 5.55 1.02 -1.26 -4.43 120.64 116.43 3df2 n GLU 109 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3df2 n GLU 109 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 3df2 n GLU 109 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3df2 s VAL 110 N -1.58 2.45 -0.27 2.62 -7.23 -1.22 -5.07 120.40 110.09 3df2 s VAL 110 Ca 0.00 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 57.79 3df2 s VAL 110 Cb 0.00 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 3df2 s VAL 110 CO 0.00 -0.25 0.48 0.00 -0.31 0.00 0.00 175.10 175.02 3df2 s ALA 111 N -2.08 3.58 -1.20 1.32 0.00 -1.26 -4.51 121.76 117.61 3df2 s ALA 111 Ca 0.25 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3df2 s ALA 111 Cb -0.07 -2.86 0.14 0.00 0.00 0.00 0.00 23.12 20.34 3df2 s ALA 111 CO 0.13 -0.74 1.01 0.36 0.00 0.00 0.00 175.76 176.51 3df2 n LYS 112 N 5.51 0.02 0.00 0.00 -0.00 -1.26 -0.32 118.16 122.10 3df2 n LYS 112 Ca -0.05 0.36 0.13 0.00 -0.00 0.00 0.00 58.31 58.75 3df2 n LYS 112 Cb 0.50 -1.50 0.46 0.00 -0.00 0.00 0.00 35.03 34.49 3df2 n LYS 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3df2 n SER 113 N -1.40 0.22 -4.06 -5.58 7.64 -1.26 -4.46 113.62 104.72 3df2 n SER 113 Ca 0.01 0.17 -0.34 0.00 1.01 0.00 0.00 58.87 59.71 3df2 n SER 113 Cb 0.03 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 3df2 n SER 113 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3df2 s GLU 114 N -2.99 2.74 0.29 1.43 0.41 0.56 -5.05 118.70 116.09 3df2 s GLU 114 Ca 0.13 -2.93 -0.15 0.00 -0.41 0.00 0.00 54.97 51.61 3df2 s GLU 114 Cb 0.18 -3.72 0.01 0.00 -1.78 0.00 0.00 34.13 28.82 3df2 s GLU 114 CO 0.60 -1.22 0.61 0.14 -0.49 0.00 0.00 175.26 174.91 3df2 s VAL 115 N -0.75 0.00 -0.06 2.63 -7.23 -1.26 -2.92 120.40 110.82 3df2 s VAL 115 Ca 0.22 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3df2 s VAL 115 Cb -0.14 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3df2 s VAL 115 CO -0.08 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.55 3df2 s ARG 116 N -3.63 0.79 -0.30 4.82 3.00 -0.53 -4.83 118.95 118.27 3df2 s ARG 116 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 55.73 55.81 3df2 s ARG 116 Cb -0.03 -0.91 0.17 0.00 0.00 0.00 0.00 34.95 34.18 3df2 s ARG 116 CO 0.10 -0.16 0.70 -0.51 0.00 0.00 0.00 175.30 175.43 3df2 s LEU 117 N 1.27 -1.16 0.00 2.53 1.43 -1.26 -3.83 118.68 117.66 3df2 s LEU 117 Ca -0.05 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3df2 s LEU 117 Cb -0.14 2.06 0.00 0.00 0.03 0.00 0.00 46.19 48.14 3df2 s LEU 117 CO -0.02 -0.22 0.69 -2.65 0.23 0.00 0.00 176.35 174.38 3df2 n PRO 118 N 5.41 0.00 0.00 1.29 -0.02 -1.26 -4.87 135.00 135.54 3df2 n PRO 118 Ca -0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3df2 n PRO 118 Cb 0.51 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 3df2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3df2 n ASN 119 N -1.42 0.49 -3.79 2.55 4.13 -1.26 -5.12 115.26 110.83 3df2 n ASN 119 Ca 0.00 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.97 3df2 n ASN 119 Cb 0.00 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.08 3df2 n ASN 119 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3df2 s GLY 120 N -0.26 1.01 0.09 7.41 0.00 -1.26 -5.10 107.32 109.21 3df2 s GLY 120 Ca 0.00 -1.25 -0.35 0.00 0.00 0.00 0.00 44.72 43.12 3df2 s GLY 120 CO 0.00 1.35 1.55 3.33 0.00 0.00 0.00 173.10 179.33 3df2 n VAL 121 N 4.86 0.08 0.00 1.40 0.24 -1.26 -4.97 118.33 118.68 3df2 n VAL 121 Ca -0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3df2 n VAL 121 Cb 0.44 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 3df2 n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3df2 n LEU 122 N 3.63 0.00 -4.58 1.34 4.32 -1.26 -4.84 117.00 115.60 3df2 n LEU 122 Ca 0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.75 3df2 n LEU 122 Cb 0.25 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.03 3df2 n LEU 122 CO 0.65 -0.07 1.17 -0.13 -1.22 0.00 0.00 177.39 177.79 3df2 s ARG 123 N 0.00 3.42 0.00 3.23 1.81 -1.26 -4.85 118.95 121.30 3df2 s ARG 123 Ca 0.00 0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.38 3df2 s ARG 123 Cb 0.00 -4.07 0.00 0.00 -0.45 0.00 0.00 34.95 30.43 3df2 s ARG 123 CO 0.00 -1.80 0.00 2.41 -0.68 0.00 0.00 175.30 175.23 3df2 n THR 124 N 6.77 0.00 0.00 0.02 -1.04 -1.26 -4.93 114.28 113.84 3df2 n THR 124 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3df2 n THR 124 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 3df2 n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3df2 n THR 125 N 0.00 0.00 -2.41 12.58 5.66 -1.26 -4.85 114.28 124.00 3df2 n THR 125 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 3df2 n THR 125 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3df2 n THR 125 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3df2 s GLY 126 N 0.00 2.64 -0.06 1.09 0.00 -1.26 -3.79 107.32 105.94 3df2 s GLY 126 Ca 0.00 0.75 -0.41 0.00 0.00 0.00 0.00 44.72 45.06 3df2 s GLY 126 CO 0.00 1.13 1.16 -2.21 0.00 0.00 0.00 173.10 173.18 3df2 n GLU 127 N -0.79 0.09 -2.47 2.90 2.13 -1.16 -4.79 120.64 116.56 3df2 n GLU 127 Ca 0.09 0.03 -0.26 0.00 0.66 0.00 0.00 57.16 57.68 3df2 n GLU 127 Cb 0.51 -1.55 0.03 0.00 0.27 0.00 0.00 31.44 30.70 3df2 n GLU 127 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3df2 s HIS 128 N 0.44 3.26 -0.62 4.31 5.65 -1.16 -4.73 115.29 122.44 3df2 s HIS 128 Ca 0.92 0.60 0.02 0.00 0.25 0.00 0.00 55.06 56.85 3df2 s HIS 128 Cb -1.27 -2.68 0.40 0.00 -1.18 0.00 0.00 32.58 27.84 3df2 s HIS 128 CO 0.59 -0.76 1.58 0.39 -0.65 0.00 0.00 174.74 175.90 3df2 n GLU 129 N -2.52 3.10 -0.15 2.88 4.71 -1.24 -3.67 120.64 123.75 3df2 n GLU 129 Ca 0.04 -3.96 0.00 0.00 -0.01 0.00 0.00 57.16 53.23 3df2 n GLU 129 Cb 0.58 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 3df2 n GLU 129 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3df2 n VAL 130 N -0.57 0.94 -1.27 2.62 0.24 -0.14 -4.50 118.33 115.65 3df2 n VAL 130 Ca 0.48 -0.15 -0.50 0.00 -2.04 0.00 0.00 64.34 62.12 3df2 n VAL 130 Cb 0.51 -1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 31.75 3df2 n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3df2 n SER 131 N 1.16 0.87 -4.43 -1.34 3.41 -1.23 -4.14 113.62 107.92 3df2 n SER 131 Ca 0.00 0.85 -0.44 0.00 -0.26 0.00 0.00 58.87 59.02 3df2 n SER 131 Cb 0.32 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3df2 n SER 131 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3df2 s PHE 132 N 2.42 3.20 -0.29 7.33 5.36 -1.26 -1.46 117.98 133.28 3df2 s PHE 132 Ca 0.79 -1.44 -0.23 0.00 -0.96 0.00 0.00 56.93 55.09 3df2 s PHE 132 Cb -1.12 -4.20 -0.00 0.00 -0.34 0.00 0.00 43.02 37.36 3df2 s PHE 132 CO 0.60 -1.41 0.76 -1.14 -1.46 0.00 0.00 175.22 172.57 3df2 s GLN 133 N 2.35 4.00 0.37 10.12 0.74 -1.15 -3.98 119.66 132.12 3df2 s GLN 133 Ca 0.29 0.61 0.09 0.00 0.05 0.00 0.00 55.36 56.40 3df2 s GLN 133 Cb -0.07 -3.71 0.73 0.00 1.10 0.00 0.00 33.01 31.06 3df2 s GLN 133 CO -0.08 -0.62 1.88 -0.24 -0.55 0.00 0.00 175.29 175.68 3df2 h VAL 134 N 5.55 1.20 -2.63 1.34 3.04 -1.63 -3.39 116.25 119.73 3df2 h VAL 134 Ca -0.25 -0.89 -0.09 0.00 -1.01 0.00 0.00 66.70 64.46 3df2 h VAL 134 Cb 1.10 1.27 -0.20 0.00 -2.01 0.00 0.00 31.29 31.45 3df2 h VAL 134 CO 0.86 0.28 -0.09 -1.00 -1.01 0.00 0.00 177.57 176.61 3df2 s HIS 135 N -4.65 -0.37 0.16 3.17 0.09 -1.10 -4.97 115.29 107.61 3df2 s HIS 135 Ca -0.05 0.61 -0.20 0.00 -0.00 0.00 0.00 55.06 55.41 3df2 s HIS 135 Cb 0.15 0.22 0.06 0.00 -0.00 0.00 0.00 32.58 33.01 3df2 s HIS 135 CO 0.74 -0.48 1.26 0.43 -0.00 0.00 0.00 174.74 176.69 3df2 n SER 136 N 1.14 -0.71 0.00 1.40 7.64 -1.26 -2.46 113.62 119.37 3df2 n SER 136 Ca -0.21 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3df2 n SER 136 Cb 0.56 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3df2 n SER 136 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3df2 n GLU 137 N -5.10 0.00 -2.58 1.43 4.07 -1.26 -4.34 120.64 112.86 3df2 n GLU 137 Ca 0.05 0.31 -0.41 0.00 -0.06 0.00 0.00 57.16 57.04 3df2 n GLU 137 Cb 0.26 -1.27 -0.03 0.00 -0.06 0.00 0.00 31.44 30.35 3df2 n GLU 137 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3df2 s VAL 138 N -2.07 3.81 0.00 6.31 -7.23 -1.03 -4.99 120.40 115.21 3df2 s VAL 138 Ca 0.00 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 3df2 s VAL 138 Cb 0.00 -4.87 0.00 0.00 0.56 0.00 0.00 36.38 32.07 3df2 s VAL 138 CO 0.00 -1.75 0.00 2.22 -0.31 0.00 0.00 175.10 175.26 3df2 n PHE 139 N 9.12 0.00 -1.22 2.82 1.16 -1.24 -2.73 117.46 125.36 3df2 n PHE 139 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 3df2 n PHE 139 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 3df2 n PHE 139 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3df2 n ALA 140 N -3.00 0.00 -3.31 1.98 0.00 -1.26 -1.90 120.51 113.03 3df2 n ALA 140 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3df2 n ALA 140 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3df2 n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3df2 s LYS 141 N 2.01 0.60 -0.08 0.00 3.01 -1.26 -4.50 119.74 119.52 3df2 s LYS 141 Ca 0.00 0.29 -0.10 0.00 -1.01 0.00 0.00 55.97 55.16 3df2 s LYS 141 Cb 0.00 0.28 0.02 0.00 -1.01 0.00 0.00 37.83 37.13 3df2 s LYS 141 CO 0.00 -0.13 0.26 0.08 0.51 0.00 0.00 175.35 176.07 3df2 s VAL 142 N -0.43 0.02 0.23 3.17 1.01 -1.26 -4.24 120.40 118.90 3df2 s VAL 142 Ca -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3df2 s VAL 142 Cb -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.95 3df2 s VAL 142 CO 0.03 -0.07 0.14 2.30 0.00 0.00 0.00 175.10 177.49 3df2 n ILE 143 N 2.57 0.00 -3.64 2.22 -5.35 -1.24 -0.97 119.36 112.95 3df2 n ILE 143 Ca -0.15 -0.92 -0.13 0.00 -0.27 0.00 0.00 62.75 61.28 3df2 n ILE 143 Cb 0.58 -0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 38.19 3df2 n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3df2 s VAL 144 N -1.24 -0.00 -0.36 7.28 1.01 -1.08 -4.60 120.40 121.42 3df2 s VAL 144 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3df2 s VAL 144 Cb -0.01 -0.96 0.12 0.00 0.00 0.00 0.00 36.38 35.53 3df2 s VAL 144 CO 0.07 0.00 0.18 0.20 0.00 0.00 0.00 175.10 175.54 3df2 s ASN 145 N 0.52 3.53 -0.78 3.32 -0.87 -1.22 -2.96 114.94 116.48 3df2 s ASN 145 Ca -0.01 -2.04 -0.26 0.00 -1.57 0.00 0.00 52.86 48.98 3df2 s ASN 145 Cb -0.05 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.25 40.34 3df2 s ASN 145 CO -0.02 -0.34 2.41 0.52 -2.57 0.00 0.00 177.10 177.10 3df2 n VAL 146 N 4.29 -0.00 -0.96 1.60 0.31 -1.15 -2.66 118.33 119.76 3df2 n VAL 146 Ca 0.05 -0.51 -0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3df2 n VAL 146 Cb 0.38 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3df2 n VAL 146 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df2 n VAL 147 N 8.70 0.00 -5.01 2.52 0.31 -1.26 -4.69 118.33 118.91 3df2 n VAL 147 Ca 0.47 -0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.52 3df2 n VAL 147 Cb 0.43 -1.91 -0.16 0.00 -0.91 0.00 0.00 33.84 31.28 3df2 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df2 s ALA 148 N -3.91 1.78 -1.48 3.52 0.00 -1.26 -3.97 121.76 116.43 3df2 s ALA 148 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3df2 s ALA 148 Cb -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3df2 s ALA 148 CO 0.00 0.34 0.37 -0.85 0.00 0.00 0.00 175.76 175.62