#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ARG 2 N 0.00 0.00 0.00 -1.46 1.74 -1.26 -1.39 116.66 114.29 3df2 n ARG 2 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3df2 n ARG 2 Cb 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 31.66 3df2 n ARG 2 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3df2 n VAL 3 N 0.00 1.21 0.00 1.55 0.24 -1.26 -1.66 118.33 118.41 3df2 n VAL 3 Ca 0.00 0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.47 3df2 n VAL 3 Cb 0.00 -1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 31.22 3df2 n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df2 h ALA 4 N 2.37 0.48 -0.96 2.33 0.00 -1.49 -2.98 119.26 119.01 3df2 h ALA 4 Ca 0.00 -0.58 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 3df2 h ALA 4 Cb 0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.61 3df2 h ALA 4 CO 0.00 0.71 0.71 0.36 0.00 0.00 0.00 179.25 181.03 3df2 n LYS 5 N -3.91 2.36 -0.81 0.00 0.00 -0.66 -4.43 118.16 110.70 3df2 n LYS 5 Ca -0.05 -2.99 -0.29 0.00 -0.00 0.00 0.00 58.31 54.98 3df2 n LYS 5 Cb 0.70 -2.17 0.21 0.00 -0.00 0.00 0.00 35.03 33.77 3df2 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df2 s ALA 6 N -3.35 0.27 0.22 0.58 0.00 -1.13 -4.95 121.76 113.41 3df2 s ALA 6 Ca 0.58 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 3df2 s ALA 6 Cb 0.47 -3.21 0.25 0.00 0.00 0.00 0.00 23.12 20.62 3df2 s ALA 6 CO 0.06 -3.33 1.85 -1.35 0.00 0.00 0.00 175.76 172.99 3df2 h PRO 7 N -2.26 0.89 0.00 0.00 0.11 -1.94 -3.47 132.00 125.34 3df2 h PRO 7 Ca -0.57 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3df2 h PRO 7 Cb 1.32 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3df2 h PRO 7 CO 0.52 0.59 0.00 0.28 -0.21 0.00 0.00 178.00 179.18 3df2 n VAL 8 N -4.64 0.00 -1.38 3.15 0.31 -1.26 -4.68 118.33 109.83 3df2 n VAL 8 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3df2 n VAL 8 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3df2 n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df2 n VAL 9 N 0.00 -3.09 -3.20 2.52 0.31 -1.26 -4.83 118.33 108.79 3df2 n VAL 9 Ca 0.00 1.48 -0.16 0.00 -0.01 0.00 0.00 64.34 65.64 3df2 n VAL 9 Cb 0.00 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 30.56 3df2 n VAL 9 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3df2 s VAL 10 N -4.77 -0.30 0.00 2.52 1.01 -1.26 -4.36 120.40 113.23 3df2 s VAL 10 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.41 3df2 s VAL 10 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3df2 s VAL 10 CO 0.00 -0.64 0.00 -2.65 0.00 0.00 0.00 175.10 171.81 3df2 n PRO 11 N 3.36 -0.21 -3.53 2.72 -0.02 -1.26 -4.64 135.00 131.42 3df2 n PRO 11 Ca 0.20 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 3df2 n PRO 11 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 3df2 n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df2 s ALA 12 N -2.08 3.59 0.00 3.55 0.00 -1.26 -4.06 121.76 121.50 3df2 s ALA 12 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3df2 s ALA 12 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3df2 s ALA 12 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.27 3df2 n GLY 13 N 3.33 0.40 3.65 0.00 0.00 -1.26 -5.02 105.19 106.29 3df2 n GLY 13 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3df2 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df2 s VAL 14 N -2.14 4.87 0.03 1.61 -7.23 -1.26 -4.25 120.40 112.04 3df2 s VAL 14 Ca 0.00 1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 61.64 3df2 s VAL 14 Cb 0.00 -4.10 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 3df2 s VAL 14 CO 0.00 -0.02 1.12 -0.78 -0.31 0.00 0.00 175.10 175.12 3df2 h ASP 15 N 7.54 -0.44 -4.57 4.85 3.58 -1.31 -3.47 116.42 122.61 3df2 h ASP 15 Ca -0.26 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3df2 h ASP 15 Cb 1.11 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3df2 h ASP 15 CO 0.85 -0.09 -0.17 0.52 -2.88 0.00 0.00 179.24 177.47 3df2 n VAL 16 N -3.35 -7.70 -3.98 2.25 0.31 -1.17 -4.91 118.33 99.77 3df2 n VAL 16 Ca -0.01 0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 64.26 3df2 n VAL 16 Cb 0.07 -6.04 -0.05 0.00 -0.91 0.00 0.00 33.84 26.92 3df2 n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3df2 s LYS 17 N -2.54 3.21 -0.15 5.55 2.20 0.27 -4.94 119.74 123.33 3df2 s LYS 17 Ca 0.09 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 55.00 3df2 s LYS 17 Cb -0.02 -2.88 0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3df2 s LYS 17 CO 0.51 0.56 0.37 -1.50 -0.36 0.00 0.00 175.35 174.94 3df2 s ILE 18 N -1.56 -0.02 -0.40 5.43 1.10 -1.25 -2.55 121.20 121.94 3df2 s ILE 18 Ca 0.33 0.08 0.08 0.00 -0.51 0.00 0.00 60.65 60.62 3df2 s ILE 18 Cb -0.12 -0.55 0.24 0.00 0.15 0.00 0.00 42.46 42.18 3df2 s ILE 18 CO 0.26 0.03 0.51 0.59 -2.11 0.00 0.00 174.94 174.22 3df2 n ASN 19 N 3.90 0.22 0.00 4.50 4.13 0.15 -4.94 115.26 123.21 3df2 n ASN 19 Ca -0.21 -2.68 0.00 0.00 1.68 0.00 0.00 54.58 53.37 3df2 n ASN 19 Cb 0.55 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 3df2 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df2 n GLY 20 N 1.53 2.01 0.00 7.41 0.00 -1.26 -2.25 105.19 112.63 3df2 n GLY 20 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3df2 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df2 n GLN 21 N 0.00 0.20 -3.93 1.61 1.13 -1.26 -4.96 117.38 110.17 3df2 n GLN 21 Ca 0.00 -0.42 -0.34 0.00 -1.94 0.00 0.00 57.00 54.30 3df2 n GLN 21 Cb 0.00 -0.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.65 3df2 n GLN 21 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3df2 s VAL 22 N -0.12 5.35 -0.02 5.09 1.01 -0.95 -2.76 120.40 127.99 3df2 s VAL 22 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3df2 s VAL 22 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.93 3df2 s VAL 22 CO 0.00 0.39 0.06 -0.63 0.00 0.00 0.00 175.10 174.92 3df2 s ILE 23 N -1.25 -0.00 -0.02 2.22 1.09 -1.14 0.31 121.20 122.41 3df2 s ILE 23 Ca 0.24 0.00 0.02 0.00 -1.10 0.00 0.00 60.65 59.82 3df2 s ILE 23 Cb -0.12 -0.10 0.00 0.00 -1.06 0.00 0.00 42.46 41.18 3df2 s ILE 23 CO 0.15 0.00 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.03 3df2 s THR 24 N 0.06 0.63 -0.12 2.92 2.01 -1.06 -3.38 115.64 116.70 3df2 s THR 24 Ca -0.00 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 3df2 s THR 24 Cb -0.01 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.97 3df2 s THR 24 CO -0.00 0.20 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.44 3df2 s ILE 25 N 0.17 0.93 0.35 1.82 1.09 -1.23 0.94 121.20 125.26 3df2 s ILE 25 Ca -0.02 -0.30 0.09 0.00 -1.10 0.00 0.00 60.65 59.32 3df2 s ILE 25 Cb -0.07 -1.01 -0.06 0.00 -1.06 0.00 0.00 42.46 40.25 3df2 s ILE 25 CO 0.00 0.29 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.32 3df2 s LYS 26 N 1.74 1.89 0.00 2.79 2.20 -1.26 -0.12 119.74 126.98 3df2 s LYS 26 Ca 0.04 -1.91 0.00 0.00 -0.36 0.00 0.00 55.97 53.74 3df2 s LYS 26 Cb -0.13 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3df2 s LYS 26 CO -0.08 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 3df2 n GLY 27 N -0.85 -0.50 3.77 5.54 0.00 0.34 -0.85 105.19 112.64 3df2 n GLY 27 Ca -0.05 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 3df2 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df2 s LYS 28 N -1.89 3.96 0.00 1.61 -2.85 -1.20 -3.96 119.74 115.41 3df2 s LYS 28 Ca 0.00 1.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 3df2 s LYS 28 Cb 0.00 -2.57 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 3df2 s LYS 28 CO 0.00 -0.39 0.00 -1.71 0.10 0.00 0.00 175.35 173.35 3df2 n ASN 29 N -0.13 0.00 -4.68 0.03 5.15 -1.26 -1.29 115.26 113.08 3df2 n ASN 29 Ca 0.05 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.66 3df2 n ASN 29 Cb 0.47 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.64 3df2 n ASN 29 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3df2 s GLY 30 N 0.00 2.05 -0.29 8.20 0.00 0.14 -4.90 107.32 112.51 3df2 s GLY 30 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3df2 s GLY 30 CO 0.00 0.53 -0.03 -0.54 0.00 0.00 0.00 173.10 173.06 3df2 s GLU 31 N 1.03 2.20 0.53 2.90 8.01 -1.26 -0.51 118.70 131.61 3df2 s GLU 31 Ca 0.13 -1.42 0.00 0.00 0.01 0.00 0.00 54.97 53.69 3df2 s GLU 31 Cb -0.14 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 26.60 3df2 s GLU 31 CO 0.05 -0.67 0.00 1.28 0.01 0.00 0.00 175.26 175.93 3df2 n LEU 32 N 4.49 -2.24 -3.85 1.80 4.77 0.83 -4.87 117.00 117.94 3df2 n LEU 32 Ca -0.11 3.07 -0.12 0.00 -0.03 0.00 0.00 56.01 58.83 3df2 n LEU 32 Cb 0.42 -3.02 -0.13 0.00 -2.33 0.00 0.00 43.42 38.36 3df2 n LEU 32 CO 0.24 0.39 -0.26 0.42 -1.33 0.00 0.00 177.39 176.85 3df2 s THR 33 N -3.53 0.02 -0.17 -5.08 -4.23 -0.95 -4.76 115.64 96.94 3df2 s THR 33 Ca 0.00 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 3df2 s THR 33 Cb 0.00 -0.17 -0.03 0.00 1.34 0.00 0.00 72.50 73.65 3df2 s THR 33 CO 0.00 -0.07 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.85 3df2 s ARG 34 N -0.18 3.67 -0.24 3.99 1.81 -1.26 -3.52 118.95 123.20 3df2 s ARG 34 Ca -0.02 -0.52 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 3df2 s ARG 34 Cb -0.02 -2.96 0.07 0.00 -0.45 0.00 0.00 34.95 31.59 3df2 s ARG 34 CO 0.00 0.19 0.62 0.99 -0.68 0.00 0.00 175.30 176.43 3df2 s THR 35 N 0.50 -0.00 0.06 0.02 2.01 -1.22 -5.06 115.64 111.96 3df2 s THR 35 Ca -0.03 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.06 3df2 s THR 35 Cb -0.14 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3df2 s THR 35 CO 0.03 0.01 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.02 3df2 s LEU 36 N 0.94 2.65 0.00 4.42 2.01 -1.26 -2.89 118.68 124.55 3df2 s LEU 36 Ca -0.05 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.64 3df2 s LEU 36 Cb -0.05 -1.54 0.00 0.00 0.01 0.00 0.00 46.19 44.61 3df2 s LEU 36 CO -0.08 0.23 0.00 0.59 1.01 0.00 0.00 176.35 178.10 3df2 n ASN 37 N 1.33 0.35 0.03 2.29 4.13 -1.11 -5.07 115.26 117.21 3df2 n ASN 37 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3df2 n ASN 37 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3df2 n ASN 37 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3df2 n ASP 38 N 0.00 -0.47 -1.43 6.41 5.75 -1.26 -4.93 116.55 120.62 3df2 n ASP 38 Ca 0.00 0.17 0.08 0.00 -0.01 0.00 0.00 54.79 55.03 3df2 n ASP 38 Cb 0.00 0.67 0.33 0.00 -1.03 0.00 0.00 41.12 41.09 3df2 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3df2 n ALA 39 N -2.24 3.21 -3.22 2.12 0.00 -1.26 -4.85 120.51 114.27 3df2 n ALA 39 Ca 0.00 -1.82 -0.45 0.00 0.00 0.00 0.00 53.44 51.17 3df2 n ALA 39 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 3df2 n ALA 39 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3df2 s VAL 40 N -2.27 5.10 0.00 0.00 1.01 -1.26 0.39 120.40 123.38 3df2 s VAL 40 Ca 0.48 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3df2 s VAL 40 Cb 0.34 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 3df2 s VAL 40 CO 0.18 -0.78 2.41 1.21 0.00 0.00 0.00 175.10 178.12 3df2 n GLU 41 N 5.20 1.27 -1.47 2.72 2.13 0.35 -4.84 120.64 125.99 3df2 n GLU 41 Ca -0.13 -0.37 -0.55 0.00 0.66 0.00 0.00 57.16 56.76 3df2 n GLU 41 Cb 0.41 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.63 3df2 n GLU 41 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3df2 n VAL 42 N 1.97 0.63 -4.72 6.31 3.14 -1.26 -3.98 118.33 120.42 3df2 n VAL 42 Ca 0.16 -0.16 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 3df2 n VAL 42 Cb 0.60 -0.01 -0.07 0.00 -1.06 0.00 0.00 33.84 33.30 3df2 n VAL 42 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3df2 s LYS 43 N -0.31 2.16 0.16 1.45 -0.14 0.30 -4.90 119.74 118.46 3df2 s LYS 43 Ca 0.82 -2.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.05 3df2 s LYS 43 Cb -1.16 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 3df2 s LYS 43 CO 0.57 -0.41 0.00 1.58 -0.76 0.00 0.00 175.35 176.32 3df2 n HIS 44 N -1.22 -0.98 0.00 3.18 -0.00 -1.26 0.15 115.22 115.10 3df2 n HIS 44 Ca -0.17 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3df2 n HIS 44 Cb 0.67 0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.78 3df2 n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df2 n ALA 45 N -3.39 0.00 -1.73 1.57 0.00 -1.26 -4.39 120.51 111.31 3df2 n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df2 n ASP 46 N 4.07 0.00 -0.10 0.00 3.85 -1.26 -5.02 116.55 118.09 3df2 n ASP 46 Ca 0.00 0.00 -0.23 0.00 -0.71 0.00 0.00 54.79 53.85 3df2 n ASP 46 Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 3df2 n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3df2 n ASN 47 N 0.00 1.98 -4.77 -1.12 0.23 -1.26 -4.94 115.26 105.38 3df2 n ASN 47 Ca 0.00 0.20 -0.37 0.00 -0.53 0.00 0.00 54.58 53.88 3df2 n ASN 47 Cb 0.00 -0.75 -0.00 0.00 -2.08 0.00 0.00 39.78 36.95 3df2 n ASN 47 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3df2 s THR 48 N -2.49 2.96 0.86 5.53 -4.23 -1.26 -4.55 115.64 112.46 3df2 s THR 48 Ca -0.33 0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 3df2 s THR 48 Cb 0.10 -3.35 0.14 0.00 1.34 0.00 0.00 72.50 70.72 3df2 s THR 48 CO 0.60 -0.02 1.21 -0.22 -0.54 0.00 0.00 174.62 175.65 3df2 s LEU 49 N -3.15 2.68 0.03 4.79 2.96 -1.26 -4.54 118.68 120.19 3df2 s LEU 49 Ca 0.65 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 3df2 s LEU 49 Cb -0.30 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3df2 s LEU 49 CO 0.36 -2.25 0.04 -0.89 -1.32 0.00 0.00 176.35 172.29 3df2 s THR 50 N -3.65 0.13 -0.07 3.68 2.01 0.40 -4.58 115.64 113.56 3df2 s THR 50 Ca 0.68 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3df2 s THR 50 Cb -0.07 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.75 3df2 s THR 50 CO 0.50 -0.60 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.46 3df2 s PHE 51 N -2.26 0.72 0.07 4.92 0.08 -1.26 0.11 117.98 120.36 3df2 s PHE 51 Ca -0.08 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3df2 s PHE 51 Cb -0.04 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3df2 s PHE 51 CO -0.03 -0.32 -0.03 0.20 -0.10 0.00 0.00 175.22 174.94 3df2 s GLY 52 N 1.80 0.57 0.01 4.36 0.00 -1.26 -4.48 107.32 108.31 3df2 s GLY 52 Ca 0.03 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 3df2 s GLY 52 CO -0.05 -1.35 1.71 -4.14 0.00 0.00 0.00 173.10 169.28 3df2 s PRO 53 N -3.92 4.18 0.08 2.90 0.02 -1.26 0.13 135.00 137.13 3df2 s PRO 53 Ca 0.09 2.31 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 3df2 s PRO 53 Cb 0.08 -3.88 -0.07 0.00 0.02 0.00 0.00 34.50 30.64 3df2 s PRO 53 CO -0.08 -0.83 1.37 0.50 -0.33 0.00 0.00 177.00 177.64 3df2 s ARG 54 N 3.63 4.32 0.31 5.54 3.00 0.16 -4.64 118.95 131.27 3df2 s ARG 54 Ca 0.76 2.02 -0.29 0.00 -1.00 0.00 0.00 55.73 57.22 3df2 s ARG 54 Cb -0.37 -3.33 -0.13 0.00 0.00 0.00 0.00 34.95 31.12 3df2 s ARG 54 CO 0.33 -0.45 1.30 -0.25 0.00 0.00 0.00 175.30 176.23 3df2 n ASP 55 N 4.27 2.64 -0.22 -2.12 8.00 -1.26 -2.66 116.55 125.21 3df2 n ASP 55 Ca 0.12 1.19 -0.02 0.00 0.71 0.00 0.00 54.79 56.78 3df2 n ASP 55 Cb 0.43 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.07 3df2 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df2 n GLY 56 N 1.21 0.46 2.95 0.44 0.00 -1.26 -5.04 105.19 103.96 3df2 n GLY 56 Ca 0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 3df2 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3df2 s TYR 57 N -2.10 2.06 0.03 1.61 1.51 -1.09 -5.02 117.35 114.35 3df2 s TYR 57 Ca 0.00 -1.30 -0.26 0.00 -1.01 0.00 0.00 57.07 54.50 3df2 s TYR 57 Cb 0.00 -1.49 -0.17 0.00 -0.11 0.00 0.00 41.96 40.19 3df2 s TYR 57 CO 0.00 -0.67 1.39 0.00 -1.11 0.00 0.00 175.55 175.16 3df2 h ALA 58 N 8.05 -0.38 0.00 3.71 0.00 -1.96 -2.26 119.26 126.42 3df2 h ALA 58 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3df2 h ALA 58 Cb 1.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3df2 h ALA 58 CO 0.45 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.71 3df2 n ASP 59 N -5.15 0.03 -3.93 0.00 5.75 -1.26 -4.76 116.55 107.22 3df2 n ASP 59 Ca -0.10 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 3df2 n ASP 59 Cb 0.24 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3df2 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df2 n GLY 60 N 0.04 -3.48 5.22 6.12 0.00 -0.85 -2.67 105.19 109.57 3df2 n GLY 60 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3df2 n GLY 60 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3df2 n TRP 61 N -1.12 0.00 -0.24 1.61 7.02 -1.26 -2.67 117.44 120.77 3df2 n TRP 61 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 3df2 n TRP 61 Cb 0.00 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.05 3df2 n TRP 61 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3df2 h ALA 62 N -0.78 0.99 -0.13 6.99 0.00 -1.94 0.58 119.26 124.96 3df2 h ALA 62 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3df2 h ALA 62 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3df2 h ALA 62 CO 0.00 -0.16 0.13 0.37 0.00 0.00 0.00 179.25 179.59 3df2 h GLN 63 N 0.48 0.00 0.04 0.00 5.75 -1.28 0.15 115.11 120.25 3df2 h GLN 63 Ca 0.38 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.58 3df2 h GLN 63 Cb 0.51 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 3df2 h GLN 63 CO -0.35 0.00 -1.64 0.00 -2.65 0.00 0.00 178.83 174.19 3df2 h ALA 64 N 1.87 0.59 -0.01 3.38 0.00 -0.38 -3.28 119.26 121.42 3df2 h ALA 64 Ca 0.06 -1.33 -0.00 0.00 0.00 0.00 0.00 54.91 53.64 3df2 h ALA 64 Cb 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3df2 h ALA 64 CO -0.00 1.43 0.00 0.78 0.00 0.00 0.00 179.25 181.47 3df2 h GLY 65 N 2.78 0.02 0.85 0.00 0.00 0.25 -0.34 103.07 106.62 3df2 h GLY 65 Ca -0.27 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.15 3df2 h GLY 65 CO 0.10 0.01 0.51 0.00 0.00 0.00 0.00 176.54 177.16 3df2 h THR 66 N -0.16 0.95 -0.10 4.70 1.03 -1.11 0.46 112.91 118.67 3df2 h THR 66 Ca 0.00 -0.25 -0.13 0.00 -0.01 0.00 0.00 66.41 66.03 3df2 h THR 66 Cb 0.18 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 67.41 3df2 h THR 66 CO -0.00 0.13 -0.50 0.00 -0.01 0.00 0.00 175.52 175.14 3df2 h ALA 67 N 1.60 0.96 0.23 0.00 0.00 -1.53 -1.20 119.26 119.32 3df2 h ALA 67 Ca 0.36 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3df2 h ALA 67 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3df2 h ALA 67 CO -0.14 0.66 -0.39 -0.09 0.00 0.00 0.00 179.25 179.29 3df2 h ARG 68 N 0.22 -0.63 -0.58 0.00 1.12 0.87 0.91 114.38 116.29 3df2 h ARG 68 Ca 0.01 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.85 3df2 h ARG 68 Cb 0.96 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 31.04 3df2 h ARG 68 CO 0.08 -0.42 0.08 0.00 -3.11 0.00 0.00 179.97 176.60 3df2 h ALA 69 N -0.96 1.06 -0.56 2.80 0.00 -1.57 -2.32 119.26 117.71 3df2 h ALA 69 Ca -0.03 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3df2 h ALA 69 Cb 0.61 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 3df2 h ALA 69 CO -0.13 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 180.94 3df2 h LEU 70 N 0.88 -0.30 -0.66 0.00 7.12 -0.71 0.58 115.31 122.22 3df2 h LEU 70 Ca 0.18 0.14 -0.10 0.00 0.13 0.00 0.00 57.88 58.23 3df2 h LEU 70 Cb 0.40 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 3df2 h LEU 70 CO 0.01 -0.11 -0.05 -0.07 -0.13 0.00 0.00 178.44 178.09 3df2 h LEU 71 N 0.09 0.98 -1.59 2.25 -0.00 -0.59 -2.31 115.31 114.14 3df2 h LEU 71 Ca 0.29 -0.29 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3df2 h LEU 71 Cb 0.45 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 3df2 h LEU 71 CO -0.50 1.06 0.29 -1.13 -0.00 0.00 0.00 178.44 178.16 3df2 h ASN 72 N 0.90 0.47 -0.73 -0.43 -0.73 -0.18 -0.02 115.58 114.87 3df2 h ASN 72 Ca 0.15 -0.01 0.12 0.00 1.87 0.00 0.00 56.30 58.44 3df2 h ASN 72 Cb 0.59 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 3df2 h ASN 72 CO 0.04 0.34 0.48 0.28 -0.37 0.00 0.00 177.43 178.19 3df2 h SER 73 N 0.55 0.46 0.31 1.15 0.02 0.61 -0.55 113.55 116.10 3df2 h SER 73 Ca 0.17 0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.81 3df2 h SER 73 Cb 0.00 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 62.50 3df2 h SER 73 CO -0.04 0.25 -1.46 0.24 -1.14 0.00 0.00 176.83 174.68 3df2 h MET 74 N 0.50 0.50 -0.87 3.45 2.86 -1.05 -3.02 114.93 117.30 3df2 h MET 74 Ca 0.35 -0.86 0.12 0.00 -2.06 0.00 0.00 59.70 57.25 3df2 h MET 74 Cb 0.67 0.32 -0.07 0.00 0.06 0.00 0.00 31.60 32.59 3df2 h MET 74 CO -0.12 1.41 0.56 0.28 1.06 0.00 0.00 176.91 180.11 3df2 h VAL 75 N 0.14 0.90 -0.02 -2.22 2.07 -0.29 0.14 116.25 116.96 3df2 h VAL 75 Ca -0.24 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3df2 h VAL 75 Cb 2.15 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3df2 h VAL 75 CO 0.27 0.14 -0.12 0.40 0.02 0.00 0.00 177.57 178.27 3df2 h ILE 76 N 0.76 1.50 -1.00 4.57 1.08 -1.34 -3.25 117.51 119.83 3df2 h ILE 76 Ca 0.42 -1.66 0.09 0.00 -0.39 0.00 0.00 64.86 63.32 3df2 h ILE 76 Cb 0.56 2.54 -0.07 0.00 -3.07 0.00 0.00 36.82 36.78 3df2 h ILE 76 CO -0.18 0.45 0.64 1.23 -0.69 0.00 0.00 178.15 179.60 3df2 h GLY 77 N -0.49 1.58 -2.56 5.37 0.00 -1.23 -0.25 103.07 105.49 3df2 h GLY 77 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3df2 h GLY 77 CO 0.03 0.26 0.06 3.33 0.00 0.00 0.00 176.54 180.21 3df2 n VAL 78 N -4.55 1.59 0.00 4.60 0.24 0.40 -0.69 118.33 119.92 3df2 n VAL 78 Ca 0.17 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3df2 n VAL 78 Cb 0.25 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 3df2 n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3df2 n THR 79 N 0.80 0.00 1.16 3.34 -1.04 -0.16 -3.25 114.28 115.13 3df2 n THR 79 Ca 0.04 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.12 3df2 n THR 79 Cb 0.55 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.27 3df2 n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3df2 n GLU 80 N 0.00 1.64 0.00 -2.82 -0.58 -0.85 -4.29 120.64 113.74 3df2 n GLU 80 Ca 0.00 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 3df2 n GLU 80 Cb 0.00 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3df2 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df2 n GLY 81 N 0.98 1.70 3.24 0.62 0.00 -1.08 -4.89 105.19 105.77 3df2 n GLY 81 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 3df2 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df2 s PHE 82 N 0.00 0.02 0.00 1.61 0.08 0.12 -4.07 117.98 115.74 3df2 s PHE 82 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3df2 s PHE 82 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 3df2 s PHE 82 CO 0.00 -0.58 0.00 0.25 -0.10 0.00 0.00 175.22 174.79 3df2 n THR 83 N -0.02 0.00 0.01 0.64 -2.24 -1.26 -3.37 114.28 108.03 3df2 n THR 83 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3df2 n THR 83 Cb 0.62 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3df2 n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3df2 n LYS 84 N 0.00 0.00 -2.64 -0.78 0.00 -1.26 -4.36 118.16 109.12 3df2 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df2 n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3df2 n LYS 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3df2 n LYS 85 N -2.25 -1.02 -3.48 -1.58 0.00 -1.26 -4.78 118.16 103.79 3df2 n LYS 85 Ca 0.00 1.02 -0.23 0.00 -0.00 0.00 0.00 58.31 59.10 3df2 n LYS 85 Cb 0.00 -0.71 -0.13 0.00 -0.00 0.00 0.00 35.03 34.19 3df2 n LYS 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3df2 s LEU 86 N -0.08 0.13 0.04 -5.58 1.43 -0.35 -2.05 118.68 112.21 3df2 s LEU 86 Ca 0.00 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 3df2 s LEU 86 Cb 0.00 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 3df2 s LEU 86 CO 0.00 -0.40 0.12 0.00 0.23 0.00 0.00 176.35 176.30 3df2 s GLN 87 N 2.24 3.12 -0.05 1.70 -2.07 -1.07 -1.76 119.66 121.78 3df2 s GLN 87 Ca 0.09 -0.53 0.05 0.00 -1.82 0.00 0.00 55.36 53.15 3df2 s GLN 87 Cb -0.15 -2.88 -0.01 0.00 -1.09 0.00 0.00 33.01 28.88 3df2 s GLN 87 CO -0.31 0.62 -0.20 -0.48 -1.32 0.00 0.00 175.29 173.59 3df2 s LEU 88 N -2.14 1.98 0.00 2.60 0.05 -1.26 -1.73 118.68 118.18 3df2 s LEU 88 Ca 0.28 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.05 3df2 s LEU 88 Cb -0.12 -1.12 0.00 0.00 -2.05 0.00 0.00 46.19 42.89 3df2 s LEU 88 CO 0.20 0.19 0.00 0.52 -0.55 0.00 0.00 176.35 176.71 3df2 n VAL 89 N 3.05 0.00 -1.21 1.48 0.31 -0.86 -4.84 118.33 116.26 3df2 n VAL 89 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.21 3df2 n VAL 89 Cb 0.53 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 3df2 n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df2 n GLY 90 N 5.00 -3.60 0.00 2.92 0.00 -1.26 -4.36 105.19 103.89 3df2 n GLY 90 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3df2 n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df2 n VAL 91 N -2.95 0.00 -0.68 1.61 0.24 -1.26 -4.28 118.33 111.01 3df2 n VAL 91 Ca -0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 3df2 n VAL 91 Cb 0.45 -0.27 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3df2 n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df2 n GLY 92 N 1.02 0.48 0.00 7.63 0.00 -1.26 -4.36 105.19 108.70 3df2 n GLY 92 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3df2 n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df2 n TYR 93 N 10.43 0.00 -0.82 1.61 0.53 -1.25 -4.17 117.16 123.48 3df2 n TYR 93 Ca 0.46 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 57.41 3df2 n TYR 93 Cb 0.43 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.71 3df2 n TYR 93 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3df2 n ARG 94 N -0.98 -1.08 0.00 -0.72 -4.01 -1.26 -4.00 116.66 104.61 3df2 n ARG 94 Ca 0.00 0.80 0.00 0.00 -1.04 0.00 0.00 57.85 57.61 3df2 n ARG 94 Cb 0.00 -1.61 0.00 0.00 -3.04 0.00 0.00 32.46 27.81 3df2 n ARG 94 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3df2 n ALA 95 N -2.43 0.00 0.06 2.89 0.00 0.22 -4.13 120.51 117.11 3df2 n ALA 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3df2 n ALA 95 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3df2 n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 96 N -3.00 0.00 -1.47 0.00 0.00 -1.24 -4.92 120.51 109.88 3df2 n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df2 n VAL 97 N -2.72 -7.22 -3.38 0.00 0.31 -1.26 -4.58 118.33 99.47 3df2 n VAL 97 Ca 0.00 1.48 -0.26 0.00 -0.01 0.00 0.00 64.34 65.55 3df2 n VAL 97 Cb 0.00 -4.13 -0.09 0.00 -0.91 0.00 0.00 33.84 28.71 3df2 n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3df2 n LYS 98 N 0.84 0.60 0.00 5.55 5.02 -1.22 -4.93 118.16 124.02 3df2 n LYS 98 Ca 0.00 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 52.91 3df2 n LYS 98 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3df2 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df2 n GLY 99 N 2.25 2.11 0.19 0.72 0.00 -1.26 -3.59 105.19 105.61 3df2 n GLY 99 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3df2 n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3df2 n ASN 100 N 3.61 0.00 -3.83 1.61 6.94 -1.26 -4.95 115.26 117.38 3df2 n ASN 100 Ca 0.00 -0.61 -0.29 0.00 -0.02 0.00 0.00 54.58 53.65 3df2 n ASN 100 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 3df2 n ASN 100 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3df2 s VAL 101 N 0.00 2.10 -0.79 3.53 -7.23 -1.24 0.03 120.40 116.81 3df2 s VAL 101 Ca 0.00 -3.19 -0.25 0.00 -1.81 0.00 0.00 61.98 56.73 3df2 s VAL 101 Cb 0.00 -2.44 -0.15 0.00 0.56 0.00 0.00 36.38 34.35 3df2 s VAL 101 CO 0.00 -0.89 2.41 -0.38 -0.31 0.00 0.00 175.10 175.92 3df2 n ILE 102 N 3.05 -0.00 -2.10 -0.62 5.41 0.01 -3.45 119.36 121.65 3df2 n ILE 102 Ca 0.10 -0.51 -0.37 0.00 1.00 0.00 0.00 62.75 62.97 3df2 n ILE 102 Cb 0.34 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 3df2 n ILE 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3df2 s ASN 103 N 10.38 5.36 -0.11 4.38 3.04 -1.26 -2.16 114.94 134.57 3df2 s ASN 103 Ca 0.95 0.10 -0.05 0.00 0.04 0.00 0.00 52.86 53.91 3df2 s ASN 103 Cb -0.17 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 3df2 s ASN 103 CO 0.11 -2.36 0.06 -0.76 -3.04 0.00 0.00 177.10 171.12 3df2 s LEU 104 N 8.80 3.92 -0.28 3.21 1.43 -1.26 -3.69 118.68 130.81 3df2 s LEU 104 Ca 0.64 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 3df2 s LEU 104 Cb -0.11 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.27 3df2 s LEU 104 CO 0.17 0.36 0.10 -0.44 0.23 0.00 0.00 176.35 176.77 3df2 s SER 105 N -0.76 3.62 -0.08 2.29 0.01 -1.26 0.53 113.70 118.05 3df2 s SER 105 Ca 0.12 -1.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.00 3df2 s SER 105 Cb -0.12 -0.62 0.04 0.00 0.21 0.00 0.00 66.02 65.53 3df2 s SER 105 CO 0.03 -0.40 0.18 -1.48 0.41 0.00 0.00 173.24 171.98 3df2 s LEU 106 N 1.84 0.72 0.00 2.44 2.34 -1.26 -3.92 118.68 120.84 3df2 s LEU 106 Ca 0.07 0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.65 3df2 s LEU 106 Cb -0.17 0.53 0.00 0.00 -0.56 0.00 0.00 46.19 45.99 3df2 s LEU 106 CO -0.26 -0.14 0.00 0.61 -1.06 0.00 0.00 176.35 175.50 3df2 n GLY 107 N 4.01 -0.09 3.34 -3.48 0.00 -1.26 -4.80 105.19 102.90 3df2 n GLY 107 Ca -0.24 0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 3df2 n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df2 n PHE 108 N 0.00 -0.93 -0.40 1.61 3.01 -1.26 -4.72 117.46 114.78 3df2 n PHE 108 Ca 0.00 0.87 -0.02 0.00 1.01 0.00 0.00 57.45 59.31 3df2 n PHE 108 Cb 0.00 -1.89 -0.03 0.00 -0.01 0.00 0.00 39.48 37.55 3df2 n PHE 108 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3df2 n SER 109 N 2.07 3.43 0.00 4.37 3.41 -1.26 -4.73 113.62 120.91 3df2 n SER 109 Ca 0.16 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 3df2 n SER 109 Cb 0.29 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3df2 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df2 n HIS 110 N 1.92 0.00 0.00 7.33 -0.00 -1.26 -5.18 115.22 118.03 3df2 n HIS 110 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 3df2 n HIS 110 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 3df2 n HIS 110 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3df2 n PRO 111 N -0.45 -0.49 0.04 -1.40 -0.02 -1.26 -4.59 135.00 126.83 3df2 n PRO 111 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3df2 n PRO 111 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3df2 n PRO 111 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3df2 n VAL 112 N -2.06 0.06 -2.47 -1.45 0.31 0.19 -4.86 118.33 108.05 3df2 n VAL 112 Ca 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3df2 n VAL 112 Cb 0.00 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3df2 n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3df2 n ASP 113 N -2.77 -5.49 -4.64 4.52 8.00 -1.22 -4.86 116.55 110.10 3df2 n ASP 113 Ca 0.00 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 3df2 n ASP 113 Cb 0.00 -3.62 -0.05 0.00 -0.02 0.00 0.00 41.12 37.43 3df2 n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3df2 s HIS 114 N -3.03 3.31 0.01 1.24 5.65 -0.92 -4.80 115.29 116.75 3df2 s HIS 114 Ca 0.03 1.03 -0.23 0.00 0.25 0.00 0.00 55.06 56.14 3df2 s HIS 114 Cb -0.00 -2.96 -0.05 0.00 -1.18 0.00 0.00 32.58 28.38 3df2 s HIS 114 CO 0.46 -0.35 0.68 1.14 -0.65 0.00 0.00 174.74 176.02 3df2 s GLN 115 N 2.64 4.41 0.36 2.88 0.00 -1.26 -0.81 119.66 127.87 3df2 s GLN 115 Ca 0.32 0.90 -0.25 0.00 -0.00 0.00 0.00 55.36 56.32 3df2 s GLN 115 Cb -0.15 -3.37 -0.10 0.00 0.00 0.00 0.00 33.01 29.39 3df2 s GLN 115 CO 0.08 0.29 0.98 -0.51 0.00 0.00 0.00 175.29 176.13 3df2 s LEU 116 N 0.00 4.24 0.00 2.60 1.02 0.11 -4.98 118.68 121.67 3df2 s LEU 116 Ca 0.35 1.88 0.00 0.00 0.02 0.00 0.00 54.13 56.38 3df2 s LEU 116 Cb -0.19 -4.12 0.00 0.00 0.02 0.00 0.00 46.19 41.90 3df2 s LEU 116 CO 0.20 -0.22 0.00 -2.65 0.02 0.00 0.00 176.35 173.70 3df2 n PRO 117 N 0.25 0.00 0.00 1.29 -0.02 -1.26 -4.99 135.00 130.27 3df2 n PRO 117 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3df2 n PRO 117 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3df2 n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df2 n ALA 118 N -3.00 1.93 -0.59 3.55 0.00 -1.26 -4.92 120.51 116.21 3df2 n ALA 118 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3df2 n ALA 118 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3df2 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 119 N 0.95 2.45 3.64 0.00 0.00 -1.26 -4.62 105.19 106.35 3df2 n GLY 119 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 3df2 n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df2 s ILE 120 N 2.63 0.00 -0.08 -0.61 -1.16 -1.26 -3.48 121.20 117.24 3df2 s ILE 120 Ca 0.35 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.41 3df2 s ILE 120 Cb 0.14 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 42.23 3df2 s ILE 120 CO -0.01 0.00 0.23 -0.89 -2.81 0.00 0.00 174.94 171.46 3df2 s THR 121 N 1.02 0.01 0.27 4.00 2.01 -0.87 -4.66 115.64 117.42 3df2 s THR 121 Ca -0.05 -0.06 0.12 0.00 0.31 0.00 0.00 61.69 62.00 3df2 s THR 121 Cb -0.04 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 3df2 s THR 121 CO -0.13 -0.03 -0.20 0.00 -0.69 0.00 0.00 174.62 173.57 3df2 s ALA 122 N -0.03 2.70 0.04 7.40 0.00 -1.26 0.11 121.76 130.72 3df2 s ALA 122 Ca -0.01 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.12 3df2 s ALA 122 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3df2 s ALA 122 CO 0.01 0.28 -0.09 -2.00 0.00 0.00 0.00 175.76 173.95 3df2 s GLU 123 N -3.47 0.60 -0.61 0.00 -6.30 -0.21 -4.91 118.70 103.79 3df2 s GLU 123 Ca 0.29 -0.76 -0.09 0.00 -2.50 0.00 0.00 54.97 51.91 3df2 s GLU 123 Cb -0.05 -0.43 0.16 0.00 0.00 0.00 0.00 34.13 33.81 3df2 s GLU 123 CO 0.14 0.09 0.49 0.00 0.02 0.00 0.00 175.26 176.00 3df2 n PRO 125 N 4.27 0.00 -2.70 0.00 -0.02 -1.24 -4.72 135.00 130.59 3df2 n PRO 125 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 3df2 n PRO 125 Cb 0.42 -0.48 -0.06 0.00 -0.02 0.00 0.00 33.50 33.36 3df2 n PRO 125 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3df2 s THR 126 N 0.00 4.24 0.42 3.45 2.01 -1.26 -4.88 115.64 119.61 3df2 s THR 126 Ca 0.00 1.36 0.33 0.00 0.31 0.00 0.00 61.69 63.70 3df2 s THR 126 Cb 0.00 -3.57 0.51 0.00 0.01 0.00 0.00 72.50 69.45 3df2 s THR 126 CO 0.00 -0.33 1.39 1.67 -0.69 0.00 0.00 174.62 176.65 3df2 n GLN 127 N -0.82 -0.02 -2.78 4.92 7.27 -1.26 0.03 117.38 124.72 3df2 n GLN 127 Ca 0.08 1.07 -0.32 0.00 0.07 0.00 0.00 57.00 57.90 3df2 n GLN 127 Cb 0.54 -2.20 -0.02 0.00 2.41 0.00 0.00 30.24 30.97 3df2 n GLN 127 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3df2 n THR 128 N -4.26 4.01 -3.77 1.69 -2.24 -1.26 0.68 114.28 109.13 3df2 n THR 128 Ca 0.37 -5.63 -0.13 0.00 -2.27 0.00 0.00 64.05 56.39 3df2 n THR 128 Cb 1.51 -1.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.19 3df2 n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3df2 s GLU 129 N -3.77 0.36 -0.06 -0.78 2.02 0.10 -4.09 118.70 112.48 3df2 s GLU 129 Ca 0.46 0.36 -0.03 0.00 0.02 0.00 0.00 54.97 55.78 3df2 s GLU 129 Cb 0.27 0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.71 3df2 s GLU 129 CO -0.15 -0.05 0.13 0.42 0.02 0.00 0.00 175.26 175.63 3df2 s ILE 130 N 0.05 -0.12 -0.12 -1.63 1.01 -0.72 -3.68 121.20 115.99 3df2 s ILE 130 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 3df2 s ILE 130 Cb -0.02 -0.23 0.05 0.00 0.01 0.00 0.00 42.46 42.27 3df2 s ILE 130 CO 0.01 0.10 0.09 0.68 0.00 0.00 0.00 174.94 175.82 3df2 s VAL 131 N 1.55 -0.12 -0.33 2.92 -7.23 -0.87 -1.21 120.40 115.11 3df2 s VAL 131 Ca -0.05 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.09 3df2 s VAL 131 Cb -0.12 -0.42 -0.00 0.00 0.56 0.00 0.00 36.38 36.40 3df2 s VAL 131 CO -0.05 -0.10 0.18 -1.48 -0.31 0.00 0.00 175.10 173.34 3df2 s LEU 132 N 2.17 4.29 -0.20 1.32 2.34 -1.26 -1.04 118.68 126.29 3df2 s LEU 132 Ca 0.03 -0.58 -0.23 0.00 0.06 0.00 0.00 54.13 53.42 3df2 s LEU 132 Cb -0.14 -2.03 -0.02 0.00 -0.56 0.00 0.00 46.19 43.43 3df2 s LEU 132 CO -0.07 -0.23 0.71 -0.54 -1.06 0.00 0.00 176.35 175.16 3df2 s LYS 133 N 1.63 4.22 0.20 1.48 1.02 0.31 -4.15 119.74 124.44 3df2 s LYS 133 Ca 0.05 0.77 0.02 0.00 0.02 0.00 0.00 55.97 56.82 3df2 s LYS 133 Cb -0.17 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3df2 s LYS 133 CO 0.07 -0.33 0.06 0.41 -0.92 0.00 0.00 175.35 174.65 3df2 n GLY 134 N 3.74 3.72 0.06 -3.33 0.00 -1.22 -2.05 105.19 106.11 3df2 n GLY 134 Ca 0.01 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 44.01 3df2 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 n ALA 135 N -2.10 1.80 -3.54 4.61 0.00 -1.23 0.14 120.51 120.20 3df2 n ALA 135 Ca -0.08 -1.17 -0.07 0.00 0.00 0.00 0.00 53.44 52.12 3df2 n ALA 135 Cb 0.29 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 3df2 n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3df2 s ASP 136 N -1.09 -0.24 0.26 0.00 2.15 -1.26 -4.02 116.67 112.47 3df2 s ASP 136 Ca 0.06 0.80 -0.02 0.00 0.43 0.00 0.00 52.55 53.82 3df2 s ASP 136 Cb 0.05 1.39 0.46 0.00 -0.30 0.00 0.00 42.92 44.52 3df2 s ASP 136 CO 0.01 -0.25 1.84 0.50 -0.17 0.00 0.00 175.17 177.09 3df2 h LYS 137 N 8.15 0.94 0.13 4.34 3.64 -1.94 -2.88 116.57 128.96 3df2 h LYS 137 Ca -0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3df2 h LYS 137 Cb 1.12 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3df2 h LYS 137 CO 0.17 0.62 -0.34 0.37 -2.27 0.00 0.00 179.45 178.00 3df2 h GLN 138 N 0.96 -0.51 -0.04 1.90 -0.00 -1.97 0.23 115.11 115.69 3df2 h GLN 138 Ca 0.45 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 3df2 h GLN 138 Cb 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.95 3df2 h GLN 138 CO -0.24 -0.34 -0.05 0.28 0.00 0.00 0.00 178.83 178.48 3df2 h VAL 139 N -0.53 0.00 -0.27 2.39 2.07 -1.94 -1.39 116.25 116.58 3df2 h VAL 139 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3df2 h VAL 139 Cb 0.51 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 3df2 h VAL 139 CO -0.16 0.00 -0.33 0.16 0.02 0.00 0.00 177.57 177.27 3df2 h ILE 140 N -0.03 0.25 -0.95 4.57 -0.00 -1.51 0.38 117.51 120.22 3df2 h ILE 140 Ca 0.01 0.00 0.28 0.00 -0.00 0.00 0.00 64.86 65.14 3df2 h ILE 140 Cb 0.05 0.25 -0.04 0.00 -0.00 0.00 0.00 36.82 37.09 3df2 h ILE 140 CO -0.06 0.00 0.85 1.23 -0.00 0.00 0.00 178.15 180.17 3df2 h GLY 141 N -0.33 0.00 0.00 0.16 0.00 -0.22 0.94 103.07 103.63 3df2 h GLY 141 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3df2 h GLY 141 CO -0.45 0.00 -0.09 -1.61 0.00 0.00 0.00 176.54 174.39 3df2 h GLN 142 N 0.00 0.00 -0.96 4.80 5.75 0.69 -2.98 115.11 122.41 3df2 h GLN 142 Ca 0.45 0.00 0.26 0.00 -0.15 0.00 0.00 58.65 59.21 3df2 h GLN 142 Cb 2.14 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.63 3df2 h GLN 142 CO -0.00 0.00 0.66 -0.39 -2.65 0.00 0.00 178.83 176.45 3df2 h VAL 143 N -0.25 0.56 -0.13 2.39 -1.51 -0.03 0.43 116.25 117.71 3df2 h VAL 143 Ca 0.00 -0.06 -0.21 0.00 -1.23 0.00 0.00 66.70 65.19 3df2 h VAL 143 Cb 0.09 0.36 0.01 0.00 -2.13 0.00 0.00 31.29 29.62 3df2 h VAL 143 CO 0.00 0.03 -0.74 0.00 -1.23 0.00 0.00 177.57 175.63 3df2 h ALA 144 N 1.56 0.26 -0.29 5.19 0.00 0.73 -2.67 119.26 124.06 3df2 h ALA 144 Ca 0.49 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3df2 h ALA 144 Cb 1.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 3df2 h ALA 144 CO -0.11 0.62 0.12 0.00 0.00 0.00 0.00 179.25 179.88 3df2 h ALA 145 N 0.52 0.34 0.15 0.00 0.00 -0.08 -2.03 119.26 118.15 3df2 h ALA 145 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3df2 h ALA 145 Cb 1.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3df2 h ALA 145 CO 0.15 -0.27 -0.30 -0.44 0.00 0.00 0.00 179.25 178.39 3df2 h ASP 146 N 0.27 -0.87 -0.92 0.00 3.32 -1.02 0.53 116.42 117.74 3df2 h ASP 146 Ca 0.12 0.08 0.17 0.00 0.02 0.00 0.00 57.03 57.42 3df2 h ASP 146 Cb 0.06 0.31 -0.16 0.00 0.22 0.00 0.00 39.33 39.75 3df2 h ASP 146 CO -0.10 -0.34 -0.28 0.18 -1.72 0.00 0.00 179.24 176.98 3df2 n LEU 147 N -4.15 -0.43 0.18 1.55 4.77 -1.01 0.13 117.00 118.04 3df2 n LEU 147 Ca -0.06 1.59 0.06 0.00 -0.03 0.00 0.00 56.01 57.57 3df2 n LEU 147 Cb 0.25 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.16 3df2 n LEU 147 CO 0.11 -1.49 0.64 0.08 -1.33 0.00 0.00 177.39 175.40 3df2 h ARG 148 N 0.00 0.00 0.00 3.23 -0.00 -0.98 -2.81 114.38 113.82 3df2 h ARG 148 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.38 3df2 h ARG 148 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.60 3df2 h ARG 148 CO -0.94 0.37 0.00 0.00 -0.00 0.00 0.00 179.97 179.41 3df2 h ALA 149 N 1.63 1.00 0.00 0.08 0.00 0.64 0.27 119.26 122.87 3df2 h ALA 149 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df2 h ALA 149 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3df2 h ALA 149 CO 0.05 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.96 3df2 n TYR 150 N -2.88 0.00 0.08 0.00 4.02 -0.43 -4.25 117.16 113.70 3df2 n TYR 150 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3df2 n TYR 150 Cb 0.27 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3df2 n TYR 150 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3df2 n ARG 151 N -1.05 0.00 -1.46 -0.72 3.00 -1.02 -4.94 116.66 110.46 3df2 n ARG 151 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3df2 n ARG 151 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 3df2 n ARG 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3df2 n ARG 152 N -2.79 -4.01 -0.81 -0.14 3.00 0.92 -4.85 116.66 107.98 3df2 n ARG 152 Ca 0.00 3.05 -0.33 0.00 -0.00 0.00 0.00 57.85 60.57 3df2 n ARG 152 Cb 0.00 -3.64 0.12 0.00 0.00 0.00 0.00 32.46 28.93 3df2 n ARG 152 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3df2 n PRO 153 N -1.82 -0.43 -4.01 -0.14 -0.02 -1.25 -4.58 135.00 122.74 3df2 n PRO 153 Ca 0.00 -0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.11 3df2 n PRO 153 Cb 0.25 -1.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 3df2 n PRO 153 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3df2 s GLU 154 N -3.37 1.87 0.00 -0.52 2.12 -1.24 -4.92 118.70 112.63 3df2 s GLU 154 Ca 0.54 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.48 3df2 s GLU 154 Cb -0.19 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.41 3df2 s GLU 154 CO 0.69 -0.23 0.10 -2.30 -0.54 0.00 0.00 175.26 172.99 3df2 n PRO 155 N 4.78 0.14 0.00 4.30 -0.02 -1.26 -0.63 135.00 142.31 3df2 n PRO 155 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3df2 n PRO 155 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3df2 n PRO 155 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3df2 n TYR 156 N 0.64 0.00 0.09 6.00 0.53 -1.26 0.12 117.16 123.28 3df2 n TYR 156 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3df2 n TYR 156 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 3df2 n TYR 156 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 3df2 n LYS 157 N -0.27 0.00 0.00 -0.72 3.00 -0.02 -4.92 118.16 115.23 3df2 n LYS 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df2 n LYS 157 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 3df2 n LYS 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3df2 n GLY 158 N -1.40 1.08 3.20 3.14 0.00 0.20 -4.89 105.19 106.50 3df2 n GLY 158 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3df2 n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 159 N -0.36 -0.33 0.00 1.61 5.02 -1.26 -4.19 118.16 118.66 3df2 n LYS 159 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3df2 n LYS 159 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3df2 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df2 n GLY 160 N 2.53 0.81 3.71 0.72 0.00 -1.26 -3.61 105.19 108.09 3df2 n GLY 160 Ca 0.02 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3df2 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df2 s VAL 161 N -2.19 4.18 0.00 1.61 1.01 -1.26 -2.03 120.40 121.72 3df2 s VAL 161 Ca 0.00 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 3df2 s VAL 161 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3df2 s VAL 161 CO 0.00 0.11 0.17 0.00 0.00 0.00 0.00 175.10 175.38 3df2 s ARG 162 N 1.20 0.53 0.28 2.72 3.03 -0.70 -3.30 118.95 122.70 3df2 s ARG 162 Ca 0.57 -0.36 -0.30 0.00 2.03 0.00 0.00 55.73 57.67 3df2 s ARG 162 Cb -0.28 0.22 -0.13 0.00 -1.03 0.00 0.00 34.95 33.74 3df2 s ARG 162 CO 0.28 -0.13 1.42 0.66 -1.13 0.00 0.00 175.30 176.40 3df2 n TYR 163 N 1.39 2.37 -0.41 5.89 4.01 -1.26 -2.59 117.16 126.56 3df2 n TYR 163 Ca -0.23 0.42 0.38 0.00 -0.16 0.00 0.00 57.90 58.32 3df2 n TYR 163 Cb 0.56 -2.48 0.74 0.00 -0.31 0.00 0.00 39.34 37.84 3df2 n TYR 163 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3df2 h ALA 164 N 3.88 3.16 -3.16 -0.72 0.00 -1.70 -3.06 119.26 117.67 3df2 h ALA 164 Ca -0.46 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 3df2 h ALA 164 Cb 1.27 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.74 3df2 h ALA 164 CO 0.73 -1.58 -0.61 0.34 0.00 0.00 0.00 179.25 178.13 3df2 s ASP 165 N -4.86 4.52 0.00 0.00 2.15 -1.26 -4.96 116.67 112.26 3df2 s ASP 165 Ca -0.06 -3.51 0.00 0.00 0.43 0.00 0.00 52.55 49.41 3df2 s ASP 165 Cb 0.25 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.28 3df2 s ASP 165 CO 0.83 -0.14 0.00 -1.84 -0.17 0.00 0.00 175.17 173.84 3df2 n GLU 166 N 2.43 1.86 0.00 4.34 0.00 -1.16 -5.13 120.64 122.99 3df2 n GLU 166 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3df2 n GLU 166 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.78 3df2 n GLU 166 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3df2 n VAL 167 N 0.00 0.00 -2.78 3.84 0.24 -1.26 -5.08 118.33 113.29 3df2 n VAL 167 Ca 0.00 0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 62.62 3df2 n VAL 167 Cb 0.00 -1.25 -0.01 0.00 -1.47 0.00 0.00 33.84 31.11 3df2 n VAL 167 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3df2 n VAL 168 N -2.00-10.58 -0.08 3.34 0.31 -1.26 -4.99 118.33 103.07 3df2 n VAL 168 Ca 0.00 1.77 -0.23 0.00 -0.01 0.00 0.00 64.34 65.87 3df2 n VAL 168 Cb 0.00 -6.25 -0.12 0.00 -0.91 0.00 0.00 33.84 26.56 3df2 n VAL 168 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df2 n ARG 169 N 0.98 0.64 -1.58 5.55 1.74 -1.26 -5.10 116.66 117.63 3df2 n ARG 169 Ca -0.06 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3df2 n ARG 169 Cb 0.16 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3df2 n ARG 169 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3df2 n THR 170 N -3.98 -3.98 -4.55 0.55 -2.24 -1.26 -5.04 114.28 93.78 3df2 n THR 170 Ca -0.37 1.88 -0.26 0.00 -2.27 0.00 0.00 64.05 63.03 3df2 n THR 170 Cb 0.86 -2.82 -0.10 0.00 -2.10 0.00 0.00 70.33 66.17 3df2 n THR 170 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3df2 s LYS 171 N -4.66 1.86 0.11 -0.78 -0.14 0.33 -4.93 119.74 111.55 3df2 s LYS 171 Ca 0.00 -2.09 -0.12 0.00 -1.36 0.00 0.00 55.97 52.40 3df2 s LYS 171 Cb 0.00 -1.07 -0.06 0.00 -1.68 0.00 0.00 37.83 35.02 3df2 s LYS 171 CO 0.00 -0.25 0.47 -1.83 -0.76 0.00 0.00 175.35 172.97 3df2 s GLU 172 N -3.81 3.85 0.20 1.68 -1.05 -1.26 -4.48 118.70 113.82 3df2 s GLU 172 Ca 0.28 0.30 -0.30 0.00 -0.15 0.00 0.00 54.97 55.10 3df2 s GLU 172 Cb 0.06 -2.95 -0.09 0.00 -0.44 0.00 0.00 34.13 30.71 3df2 s GLU 172 CO 0.14 0.51 1.40 0.00 0.95 0.00 0.00 175.26 178.26 3df2 s ALA 173 N -1.45 3.60 -0.10 -0.84 0.00 -1.26 -4.91 121.76 116.80 3df2 s ALA 173 Ca 0.36 1.22 -0.32 0.00 0.00 0.00 0.00 51.96 53.22 3df2 s ALA 173 Cb -0.14 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3df2 s ALA 173 CO 0.19 -0.65 1.99 1.17 0.00 0.00 0.00 175.76 178.45 3df2 n LYS 174 N 2.91 2.24 -3.92 0.00 4.81 -1.26 -4.96 118.16 117.99 3df2 n LYS 174 Ca 0.08 0.79 -0.36 0.00 -0.87 0.00 0.00 58.31 57.94 3df2 n LYS 174 Cb 0.41 -2.82 -0.06 0.00 0.02 0.00 0.00 35.03 32.58 3df2 n LYS 174 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3df2 s LYS 175 N 4.73 3.40 0.00 1.64 -0.14 -1.26 -5.35 119.74 122.76 3df2 s LYS 175 Ca 0.94 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 3df2 s LYS 175 Cb -0.58 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.42 3df2 s LYS 175 CO 0.46 0.76 0.48 1.63 -0.76 0.00 0.00 175.35 177.93