#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bs2 h GLN 3 N 0.00 0.00 -6.82 2.61 1.08 -2.06 -3.47 115.11 106.45 3bs2 h GLN 3 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 3bs2 h GLN 3 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3bs2 h GLN 3 CO 0.00 0.12 -1.03 0.00 -0.95 0.00 0.00 178.83 176.97 3bs2 s ASP 5 N -3.32 6.75 0.57 0.00 1.01 -1.26 -4.99 116.67 115.43 3bs2 s ASP 5 Ca 0.31 1.91 -0.18 0.00 0.71 0.00 0.00 52.55 55.30 3bs2 s ASP 5 Cb -0.17 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 3bs2 s ASP 5 CO 0.94 -0.90 1.11 0.28 0.21 0.00 0.00 175.17 176.81 3bs2 s THR 6 N 3.96 3.30 0.93 -1.27 -1.32 -1.26 -4.94 115.64 115.03 3bs2 s THR 6 Ca 0.65 0.73 -0.14 0.00 -1.21 0.00 0.00 61.69 61.73 3bs2 s THR 6 Cb -0.27 -3.26 0.15 0.00 -1.51 0.00 0.00 72.50 67.61 3bs2 s THR 6 CO 0.23 -0.25 1.19 0.68 -2.21 0.00 0.00 174.62 174.26 3bs2 s VAL 7 N -2.00 1.96 0.87 5.08 -7.23 -0.49 -4.94 120.40 113.64 3bs2 s VAL 7 Ca 0.70 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.75 3bs2 s VAL 7 Cb -0.22 -2.84 0.11 0.00 0.56 0.00 0.00 36.38 34.00 3bs2 s VAL 7 CO 0.31 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 175.26 3bs2 s SER 8 N -4.34 3.82 0.23 4.85 1.04 -1.26 -4.66 113.70 113.38 3bs2 s SER 8 Ca 0.66 1.29 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 3bs2 s SER 8 Cb -0.11 -1.97 0.22 0.00 0.10 0.00 0.00 66.02 64.25 3bs2 s SER 8 CO 0.52 -2.40 1.90 0.00 0.98 0.00 0.00 173.24 174.25 3bs2 h ALA 9 N -1.38 1.11 -0.46 5.32 0.00 -1.87 0.57 119.26 122.55 3bs2 h ALA 9 Ca -0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 3bs2 h ALA 9 Cb 1.29 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3bs2 h ALA 9 CO 0.58 0.48 0.22 2.35 0.00 0.00 0.00 179.25 182.88 3bs2 h TRP 10 N 1.16 0.66 -0.44 0.00 2.91 -1.93 -0.14 115.95 118.18 3bs2 h TRP 10 Ca 0.33 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.29 3bs2 h TRP 10 Cb -0.10 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.32 3bs2 h TRP 10 CO -0.01 0.54 0.18 1.96 -1.03 0.00 0.00 178.44 180.07 3bs2 h GLN 11 N 0.59 0.61 0.18 2.65 4.20 -1.78 -0.58 115.11 120.98 3bs2 h GLN 11 Ca 0.16 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3bs2 h GLN 11 Cb 0.13 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3bs2 h GLN 11 CO -0.02 0.51 -0.09 1.03 -0.67 0.00 0.00 178.83 179.59 3bs2 h SER 12 N 0.61 -0.20 -0.21 1.46 0.87 -0.56 -0.96 113.55 114.56 3bs2 h SER 12 Ca 0.15 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3bs2 h SER 12 Cb 0.12 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 3bs2 h SER 12 CO -0.02 0.07 -0.13 0.25 -0.53 0.00 0.00 176.83 176.48 3bs2 h LEU 13 N -0.48 -0.41 -0.53 2.23 6.46 -0.66 -2.83 115.31 119.10 3bs2 h LEU 13 Ca -0.02 0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 3bs2 h LEU 13 Cb 0.37 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 3bs2 h LEU 13 CO 0.04 -0.16 -0.50 -0.09 -0.62 0.00 0.00 178.44 177.11 3bs2 h ARG 14 N -0.12 0.62 0.00 1.25 2.43 -1.16 -3.45 114.38 113.96 3bs2 h ARG 14 Ca 0.12 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3bs2 h ARG 14 Cb 0.29 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3bs2 h ARG 14 CO -0.28 0.98 0.00 0.41 -1.51 0.00 0.00 179.97 179.57 3bs2 n GLY 15 N 0.18 2.20 0.00 2.80 0.00 -0.37 -1.32 105.19 108.68 3bs2 n GLY 15 Ca -0.03 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.60 3bs2 n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bs2 n PRO 16 N 8.27 0.04 -0.67 1.61 -0.02 -1.18 -4.79 135.00 138.26 3bs2 n PRO 16 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3bs2 n PRO 16 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3bs2 n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bs2 n GLY 17 N -0.03 0.70 3.30 -1.23 0.00 -0.43 -5.03 105.19 102.47 3bs2 n GLY 17 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3bs2 n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bs2 s THR 18 N -2.30 0.09 0.00 2.61 -1.32 -1.26 -5.03 115.64 108.42 3bs2 s THR 18 Ca 0.00 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 3bs2 s THR 18 Cb 0.00 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 3bs2 s THR 18 CO 0.00 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 3bs2 n GLY 19 N -0.17 -0.30 0.00 6.08 0.00 -1.26 -5.00 105.19 104.54 3bs2 n GLY 19 Ca -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3bs2 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bs2 n GLY 20 N 0.00 2.42 3.07 -0.02 0.00 -1.26 -4.44 105.19 104.96 3bs2 n GLY 20 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 3bs2 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bs2 s TYR 21 N -7.09 1.34 -0.08 1.61 2.02 0.30 -0.55 117.35 114.90 3bs2 s TYR 21 Ca 0.00 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 3bs2 s TYR 21 Cb 0.00 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 3bs2 s TYR 21 CO 0.00 -0.14 0.15 0.71 -1.57 0.00 0.00 175.55 174.70 3bs2 s TYR 22 N 0.14 3.56 -0.16 2.71 2.02 0.29 -0.95 117.35 124.95 3bs2 s TYR 22 Ca -0.04 0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.82 3bs2 s TYR 22 Cb -0.10 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 3bs2 s TYR 22 CO 0.01 0.69 1.44 -1.17 -1.57 0.00 0.00 175.55 174.95 3bs2 s LEU 23 N -1.38 4.12 -0.15 -1.29 2.96 -0.15 -0.69 118.68 122.11 3bs2 s LEU 23 Ca 0.20 1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 55.76 3bs2 s LEU 23 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3bs2 s LEU 23 CO 0.10 -0.94 -0.20 0.33 -1.32 0.00 0.00 176.35 174.31 3bs2 n PHE 24 N 7.24 0.79 -4.19 5.38 7.35 0.31 -2.45 117.46 131.88 3bs2 n PHE 24 Ca 0.16 0.34 -0.19 0.00 -0.76 0.00 0.00 57.45 57.01 3bs2 n PHE 24 Cb 0.45 -0.73 -0.12 0.00 0.35 0.00 0.00 39.48 39.42 3bs2 n PHE 24 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3bs2 s LYS 25 N -2.34 0.84 0.04 -4.13 1.02 -0.93 -0.66 119.74 113.59 3bs2 s LYS 25 Ca -0.17 -0.95 -0.16 0.00 0.02 0.00 0.00 55.97 54.72 3bs2 s LYS 25 Cb 0.02 -0.87 0.03 0.00 -0.52 0.00 0.00 37.83 36.49 3bs2 s LYS 25 CO 0.25 0.19 0.35 -0.08 -0.92 0.00 0.00 175.35 175.15 3bs2 s THR 26 N -1.23 0.07 -0.82 2.17 -1.32 -0.25 -0.43 115.64 113.83 3bs2 s THR 26 Ca -0.01 -0.57 0.24 0.00 -1.21 0.00 0.00 61.69 60.14 3bs2 s THR 26 Cb -0.10 -0.94 0.23 0.00 -1.51 0.00 0.00 72.50 70.18 3bs2 s THR 26 CO 0.02 -0.32 1.74 0.35 -2.21 0.00 0.00 174.62 174.21 3bs2 n THR 27 N 0.56 0.54 -2.85 5.08 -2.24 -0.75 -0.35 114.28 114.27 3bs2 n THR 27 Ca -0.19 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3bs2 n THR 27 Cb 0.60 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 3bs2 n THR 27 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bs2 s GLU 28 N -3.09 4.32 0.62 -0.78 2.12 -1.26 -4.87 118.70 115.75 3bs2 s GLU 28 Ca 0.10 1.09 -0.12 0.00 0.36 0.00 0.00 54.97 56.40 3bs2 s GLU 28 Cb 0.13 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3bs2 s GLU 28 CO 0.46 -0.34 1.03 0.20 -0.54 0.00 0.00 175.26 176.08 3bs2 s GLY 29 N 1.15 1.77 -0.52 -1.50 0.00 -1.26 -4.24 107.32 102.71 3bs2 s GLY 29 Ca 0.40 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3bs2 s GLY 29 CO 0.13 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.16 3bs2 n GLY 30 N -2.24 0.75 3.75 0.20 0.00 -1.26 -5.00 105.19 101.39 3bs2 n GLY 30 Ca 0.07 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3bs2 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bs2 s LYS 31 N -2.13 4.70 0.19 1.61 2.47 -1.26 -5.00 119.74 120.32 3bs2 s LYS 31 Ca 0.00 1.65 -0.30 0.00 -1.56 0.00 0.00 55.97 55.76 3bs2 s LYS 31 Cb 0.00 -3.26 -0.08 0.00 -1.46 0.00 0.00 37.83 33.03 3bs2 s LYS 31 CO 0.00 0.28 1.19 0.99 0.16 0.00 0.00 175.35 177.97 3bs2 s THR 32 N -0.82 3.57 0.47 3.43 2.01 -1.26 -4.97 115.64 118.06 3bs2 s THR 32 Ca 0.45 1.33 -0.22 0.00 0.31 0.00 0.00 61.69 63.56 3bs2 s THR 32 Cb -0.29 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 3bs2 s THR 32 CO 0.35 0.22 0.74 0.47 -0.69 0.00 0.00 174.62 175.71 3bs2 n ASP 33 N 2.45 -0.03 -1.21 3.53 8.00 -1.26 -3.05 116.55 124.98 3bs2 n ASP 33 Ca 0.04 0.91 -0.13 0.00 0.71 0.00 0.00 54.79 56.32 3bs2 n ASP 33 Cb 0.45 -1.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 3bs2 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bs2 n THR 35 N -3.24 0.65 -3.78 0.00 -1.04 -1.17 -4.16 114.28 101.54 3bs2 n THR 35 Ca -0.14 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.61 3bs2 n THR 35 Cb 0.51 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 3bs2 n THR 35 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3bs2 s TYR 36 N 0.18 0.03 0.07 -1.42 -0.85 -0.34 -0.98 117.35 114.04 3bs2 s TYR 36 Ca 0.73 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.91 3bs2 s TYR 36 Cb -0.72 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 41.73 3bs2 s TYR 36 CO 0.47 -0.70 -0.09 0.14 -1.52 0.00 0.00 175.55 173.85 3bs2 s VAL 37 N -3.87 0.76 -0.13 -3.49 -7.23 -0.13 -2.44 120.40 103.88 3bs2 s VAL 37 Ca 0.08 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 3bs2 s VAL 37 Cb 0.02 -1.04 0.06 0.00 0.56 0.00 0.00 36.38 35.99 3bs2 s VAL 37 CO -0.07 -0.48 0.26 -0.75 -0.31 0.00 0.00 175.10 173.75 3bs2 s LYS 38 N -2.26 0.15 0.30 4.82 2.20 0.51 -0.54 119.74 124.92 3bs2 s LYS 38 Ca -0.01 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.22 3bs2 s LYS 38 Cb -0.06 -0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.15 3bs2 s LYS 38 CO -0.00 -0.28 0.67 0.20 -0.36 0.00 0.00 175.35 175.58 3bs2 s GLY 39 N 2.34 2.24 0.29 5.54 0.00 -1.26 -1.07 107.32 115.41 3bs2 s GLY 39 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 3bs2 s GLY 39 CO -0.09 0.04 0.55 -1.35 0.00 0.00 0.00 173.10 172.26 3bs2 s SER 40 N -2.46 0.13 -1.32 1.64 1.04 0.14 -4.90 113.70 107.97 3bs2 s SER 40 Ca 0.51 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 3bs2 s SER 40 Cb -0.11 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3bs2 s SER 40 CO 0.21 -1.28 0.79 -3.20 0.98 0.00 0.00 173.24 170.75 3bs2 n ASN 41 N -0.77 -1.90 -4.71 7.02 5.15 -1.26 -0.62 115.26 118.17 3bs2 n ASN 41 Ca -0.02 -0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 3bs2 n ASN 41 Cb 0.61 -4.22 -0.03 0.00 -0.53 0.00 0.00 39.78 35.61 3bs2 n ASN 41 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3bs2 s PHE 42 N -3.57 3.31 -0.40 1.20 0.08 -1.26 -4.04 117.98 113.29 3bs2 s PHE 42 Ca 0.10 1.20 -0.00 0.00 0.12 0.00 0.00 56.93 58.35 3bs2 s PHE 42 Cb -0.05 -3.47 0.11 0.00 -0.57 0.00 0.00 43.02 39.04 3bs2 s PHE 42 CO 0.80 -1.52 0.17 1.21 -0.10 0.00 0.00 175.22 175.78 3bs2 s ASN 43 N 1.24 5.03 0.26 1.36 3.84 0.36 -4.99 114.94 122.04 3bs2 s ASN 43 Ca 0.59 -2.18 -0.02 0.00 0.21 0.00 0.00 52.86 51.47 3bs2 s ASN 43 Cb -0.29 -1.75 0.32 0.00 -0.55 0.00 0.00 41.25 38.98 3bs2 s ASN 43 CO 0.28 -0.46 1.75 0.44 -2.79 0.00 0.00 177.10 176.31 3bs2 h ASP 44 N 7.75 0.75 -0.11 -4.21 3.32 -1.94 0.20 116.42 122.18 3bs2 h ASP 44 Ca -0.09 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3bs2 h ASP 44 Cb 1.02 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 3bs2 h ASP 44 CO 0.63 0.84 0.04 0.00 -1.72 0.00 0.00 179.24 179.03 3bs2 h ALA 45 N 1.24 0.15 0.00 3.45 0.00 -1.96 -3.14 119.26 119.00 3bs2 h ALA 45 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bs2 h ALA 45 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3bs2 h ALA 45 CO 0.02 -0.25 -0.37 0.00 0.00 0.00 0.00 179.25 178.65 3bs2 n ALA 46 N -2.22 2.71 -3.65 0.00 0.00 -1.16 -4.96 120.51 111.22 3bs2 n ALA 46 Ca -0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 3bs2 n ALA 46 Cb 0.13 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.33 3bs2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bs2 n GLN 47 N -2.11 -3.73 -4.27 0.00 6.02 0.67 -4.86 117.38 109.09 3bs2 n GLN 47 Ca 0.04 0.61 -0.18 0.00 -0.01 0.00 0.00 57.00 57.46 3bs2 n GLN 47 Cb 0.43 -5.01 -0.11 0.00 1.02 0.00 0.00 30.24 26.57 3bs2 n GLN 47 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3bs2 s THR 48 N -3.61 1.45 0.21 5.09 -4.23 -0.98 -3.52 115.64 110.05 3bs2 s THR 48 Ca 0.16 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 3bs2 s THR 48 Cb -0.04 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3bs2 s THR 48 CO 0.82 -0.49 0.45 0.00 -0.54 0.00 0.00 174.62 174.85 3bs2 s ALA 49 N -2.48 -0.39 -0.10 3.99 0.00 -0.33 -0.49 121.76 121.96 3bs2 s ALA 49 Ca 0.14 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 3bs2 s ALA 49 Cb -0.03 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 3bs2 s ALA 49 CO 0.04 -0.79 0.50 0.99 0.00 0.00 0.00 175.76 176.49 3bs2 s THR 50 N -3.96 5.15 -0.14 0.00 2.01 0.21 -0.40 115.64 118.51 3bs2 s THR 50 Ca 0.17 1.00 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 3bs2 s THR 50 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3bs2 s THR 50 CO 0.04 0.34 0.04 -0.31 -0.69 0.00 0.00 174.62 174.04 3bs2 s TYR 51 N 0.50 3.25 -0.17 4.92 1.51 0.60 -0.68 117.35 127.28 3bs2 s TYR 51 Ca 0.27 0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 56.44 3bs2 s TYR 51 Cb -0.16 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 3bs2 s TYR 51 CO 0.11 0.33 -0.05 0.99 -1.11 0.00 0.00 175.55 175.83 3bs2 s THR 52 N -0.27 3.66 0.07 -0.71 2.01 -0.23 -1.14 115.64 119.02 3bs2 s THR 52 Ca 0.08 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 3bs2 s THR 52 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3bs2 s THR 52 CO 0.02 0.48 0.01 -0.72 -0.69 0.00 0.00 174.62 173.72 3bs2 s TYR 53 N 0.63 0.54 -3.39 4.92 -0.85 -0.17 -0.37 117.35 118.65 3bs2 s TYR 53 Ca -0.03 -1.04 0.00 0.00 -0.52 0.00 0.00 57.07 55.48 3bs2 s TYR 53 Cb -0.15 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.83 3bs2 s TYR 53 CO 0.02 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 3bs2 n GLY 54 N 0.05 -0.54 0.95 5.49 0.00 -1.02 -1.15 105.19 108.97 3bs2 n GLY 54 Ca -0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 3bs2 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bs2 n ASN 55 N 0.00 -0.57 -4.65 1.61 0.23 -1.26 -1.20 115.26 109.42 3bs2 n ASN 55 Ca 0.00 -1.41 -0.43 0.00 -0.53 0.00 0.00 54.58 52.21 3bs2 n ASN 55 Cb 0.00 0.96 -0.02 0.00 -2.08 0.00 0.00 39.78 38.64 3bs2 n ASN 55 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3bs2 s LEU 56 N 0.00 4.09 0.00 -4.53 2.96 -0.44 -0.44 118.68 120.32 3bs2 s LEU 56 Ca 0.04 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 3bs2 s LEU 56 Cb -0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.14 3bs2 s LEU 56 CO 0.03 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 3bs2 n GLY 57 N 3.88 1.83 3.87 7.98 0.00 0.01 -4.86 105.19 117.91 3bs2 n GLY 57 Ca 0.15 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 3bs2 n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bs2 s SER 58 N -1.00 5.78 -1.44 1.61 0.01 -1.26 -4.16 113.70 113.24 3bs2 s SER 58 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 3bs2 s SER 58 Cb 0.00 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3bs2 s SER 58 CO 0.00 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.11 3bs2 n GLY 59 N -2.78 0.59 3.39 3.44 0.00 -1.26 -2.34 105.19 106.23 3bs2 n GLY 59 Ca 0.07 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3bs2 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bs2 n ASN 60 N -0.67 -4.64 -4.40 1.61 5.15 -1.26 -4.99 115.26 106.06 3bs2 n ASN 60 Ca -0.17 -0.45 -0.32 0.00 -0.60 0.00 0.00 54.58 53.05 3bs2 n ASN 60 Cb 0.57 -3.78 -0.14 0.00 -0.53 0.00 0.00 39.78 35.90 3bs2 n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3bs2 s GLN 61 N -6.07 2.43 0.27 1.20 -1.52 -0.99 -4.83 119.66 110.15 3bs2 s GLN 61 Ca 0.44 -0.79 -0.29 0.00 -1.95 0.00 0.00 55.36 52.76 3bs2 s GLN 61 Cb -0.22 -2.26 -0.10 0.00 -0.22 0.00 0.00 33.01 30.22 3bs2 s GLN 61 CO 0.54 0.56 1.31 -0.51 -0.25 0.00 0.00 175.29 176.93 3bs2 s LEU 62 N -0.58 4.43 0.60 2.90 1.43 -1.26 -0.81 118.68 125.40 3bs2 s LEU 62 Ca 0.08 2.56 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 3bs2 s LEU 62 Cb -0.11 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 3bs2 s LEU 62 CO 0.01 -0.52 1.08 0.42 0.23 0.00 0.00 176.35 177.56 3bs2 s THR 63 N -0.57 3.61 -0.03 5.49 -4.23 0.41 -4.80 115.64 115.52 3bs2 s THR 63 Ca 0.53 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 3bs2 s THR 63 Cb -0.38 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.18 3bs2 s THR 63 CO 0.46 -0.43 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.00 3bs2 s GLN 64 N -3.99 0.40 0.04 3.99 -0.21 -1.26 -4.01 119.66 114.63 3bs2 s GLN 64 Ca 0.65 0.05 0.03 0.00 0.02 0.00 0.00 55.36 56.11 3bs2 s GLN 64 Cb -0.18 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 3bs2 s GLN 64 CO 0.37 -0.14 -0.09 -1.14 -2.12 0.00 0.00 175.29 172.17 3bs2 s GLN 65 N 1.07 0.61 0.21 2.91 0.74 -0.30 -4.95 119.66 119.95 3bs2 s GLN 65 Ca -0.09 -0.74 0.08 0.00 0.05 0.00 0.00 55.36 54.66 3bs2 s GLN 65 Cb -0.14 -0.47 -0.04 0.00 1.10 0.00 0.00 33.01 33.46 3bs2 s GLN 65 CO -0.02 0.10 0.04 0.95 -0.55 0.00 0.00 175.29 175.82 3bs2 s THR 66 N -1.18 3.84 0.04 -0.34 -4.23 -1.26 -1.00 115.64 111.52 3bs2 s THR 66 Ca -0.06 -1.51 -0.27 0.00 -1.18 0.00 0.00 61.69 58.67 3bs2 s THR 66 Cb -0.09 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.83 3bs2 s THR 66 CO 0.01 -0.22 0.62 0.00 -0.54 0.00 0.00 174.62 174.49 3bs2 s ALA 67 N -1.95 -1.63 0.13 3.99 0.00 -0.29 -5.00 121.76 117.01 3bs2 s ALA 67 Ca 0.30 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 3bs2 s ALA 67 Cb -0.08 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.36 3bs2 s ALA 67 CO 0.20 -0.54 1.22 -1.12 0.00 0.00 0.00 175.76 175.52 3bs2 s SER 68 N -1.90 7.06 -0.06 0.00 0.01 -1.26 -0.29 113.70 117.26 3bs2 s SER 68 Ca -0.06 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 59.35 3bs2 s SER 68 Cb -0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 3bs2 s SER 68 CO -0.00 -0.44 -0.03 0.00 0.41 0.00 0.00 173.24 173.18 3bs2 s ALA 69 N 0.51 3.17 0.24 1.44 0.00 0.47 -4.32 121.76 123.26 3bs2 s ALA 69 Ca 0.56 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3bs2 s ALA 69 Cb -0.32 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 3bs2 s ALA 69 CO 0.33 0.59 0.29 -1.13 0.00 0.00 0.00 175.76 175.84 3bs2 n SER 70 N 2.03 -0.79 -4.21 0.00 3.41 -0.43 -1.18 113.62 112.46 3bs2 n SER 70 Ca -0.18 -2.43 -0.30 0.00 -0.26 0.00 0.00 58.87 55.71 3bs2 n SER 70 Cb 0.53 1.57 -0.16 0.00 -0.26 0.00 0.00 64.21 65.88 3bs2 n SER 70 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3bs2 s ILE 71 N -2.80 1.82 -0.17 -1.33 -1.09 -1.23 -0.20 121.20 116.20 3bs2 s ILE 71 Ca 0.24 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 3bs2 s ILE 71 Cb 0.00 -1.56 0.05 0.00 -1.58 0.00 0.00 42.46 39.38 3bs2 s ILE 71 CO 0.17 0.51 -0.00 -0.55 -1.23 0.00 0.00 174.94 173.84 3bs2 s SER 72 N 0.02 2.73 1.83 3.58 0.15 -0.54 -4.95 113.70 116.53 3bs2 s SER 72 Ca -0.07 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.90 3bs2 s SER 72 Cb -0.14 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 3bs2 s SER 72 CO 0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3bs2 n GLY 73 N 4.99 3.60 2.07 9.45 0.00 -1.26 -1.41 105.19 122.64 3bs2 n GLY 73 Ca -0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3bs2 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bs2 n ASN 74 N 5.05 4.53 -4.48 1.61 6.94 -1.26 -4.81 115.26 122.83 3bs2 n ASN 74 Ca 0.00 -3.31 -0.32 0.00 -0.02 0.00 0.00 54.58 50.94 3bs2 n ASN 74 Cb 0.00 -0.77 -0.12 0.00 -2.36 0.00 0.00 39.78 36.52 3bs2 n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bs2 s ALA 75 N -3.03 2.68 -0.17 -2.53 0.00 -0.50 -1.24 121.76 116.98 3bs2 s ALA 75 Ca 0.55 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 3bs2 s ALA 75 Cb 0.45 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3bs2 s ALA 75 CO 0.13 0.58 0.68 0.42 0.00 0.00 0.00 175.76 177.56 3bs2 s ILE 76 N -0.88 5.00 -0.22 0.00 1.01 -0.14 -1.47 121.20 124.50 3bs2 s ILE 76 Ca 0.14 1.32 -0.06 0.00 0.00 0.00 0.00 60.65 62.05 3bs2 s ILE 76 Cb -0.11 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3bs2 s ILE 76 CO 0.04 0.12 0.02 -0.69 0.00 0.00 0.00 174.94 174.44 3bs2 s VAL 77 N 1.72 4.00 -0.16 2.92 1.01 0.71 -0.67 120.40 129.93 3bs2 s VAL 77 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3bs2 s VAL 77 Cb -0.16 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.44 3bs2 s VAL 77 CO 0.12 0.40 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 3bs2 s VAL 78 N 1.29 0.41 0.00 2.92 1.01 -0.32 -1.31 120.40 124.40 3bs2 s VAL 78 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3bs2 s VAL 78 Cb -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3bs2 s VAL 78 CO 0.02 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3bs2 n GLY 79 N 5.10 3.72 0.20 4.51 0.00 -1.26 -1.29 105.19 116.17 3bs2 n GLY 79 Ca -0.08 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3bs2 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bs2 n THR 80 N 0.00 0.00 -2.60 2.61 -2.24 -1.26 -4.87 114.28 105.92 3bs2 n THR 80 Ca 0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3bs2 n THR 80 Cb 0.00 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 3bs2 n THR 80 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3bs2 s ASP 81 N -2.59 7.01 -0.38 3.42 1.01 -0.41 -5.00 116.67 119.73 3bs2 s ASP 81 Ca 0.22 1.35 -0.04 0.00 0.71 0.00 0.00 52.55 54.79 3bs2 s ASP 81 Cb 0.19 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.66 3bs2 s ASP 81 CO 0.55 -0.76 0.15 -1.00 0.21 0.00 0.00 175.17 174.32 3bs2 s HIS 82 N 3.43 3.43 -0.46 4.23 3.76 -1.26 -1.17 115.29 127.25 3bs2 s HIS 82 Ca 0.47 -2.04 -0.20 0.00 -0.15 0.00 0.00 55.06 53.15 3bs2 s HIS 82 Cb -0.16 -2.81 0.04 0.00 1.11 0.00 0.00 32.58 30.76 3bs2 s HIS 82 CO 0.11 -0.89 0.62 -1.12 -0.85 0.00 0.00 174.74 172.61 3bs2 s SER 83 N 1.69 6.27 -0.00 1.40 0.01 0.15 -4.66 113.70 118.56 3bs2 s SER 83 Ca 0.03 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 3bs2 s SER 83 Cb -0.22 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3bs2 s SER 83 CO -0.02 -0.81 1.22 -0.70 0.41 0.00 0.00 173.24 173.34 3bs2 s GLU 84 N 2.72 4.38 -0.35 12.44 2.56 -0.25 -0.96 118.70 139.23 3bs2 s GLU 84 Ca 0.19 1.74 -0.29 0.00 0.00 0.00 0.00 54.97 56.61 3bs2 s GLU 84 Cb -0.16 -3.48 0.01 0.00 2.00 0.00 0.00 34.13 32.50 3bs2 s GLU 84 CO 0.16 -0.39 1.16 0.08 -0.56 0.00 0.00 175.26 175.71 3bs2 s VAL 85 N 1.80 4.34 -0.16 3.70 1.01 -0.37 -1.04 120.40 129.67 3bs2 s VAL 85 Ca 0.58 1.50 -0.16 0.00 0.00 0.00 0.00 61.98 63.90 3bs2 s VAL 85 Cb -0.27 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.50 3bs2 s VAL 85 CO 0.25 -0.58 0.35 -0.07 0.00 0.00 0.00 175.10 175.05 3bs2 h LEU 86 N 10.56 0.22 -7.20 3.92 3.38 -1.12 -3.48 115.31 121.59 3bs2 h LEU 86 Ca -0.23 -0.74 -0.09 0.00 0.09 0.00 0.00 57.88 56.92 3bs2 h LEU 86 Cb 1.07 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.51 3bs2 h LEU 86 CO 1.05 1.63 -0.17 -0.47 0.09 0.00 0.00 178.44 180.57 3bs2 s TYR 87 N -2.45 -0.63 0.00 1.13 5.04 -0.94 -4.90 117.35 114.61 3bs2 s TYR 87 Ca -0.25 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 55.78 3bs2 s TYR 87 Cb 0.06 0.27 -0.01 0.00 0.35 0.00 0.00 41.96 42.62 3bs2 s TYR 87 CO 0.69 -0.32 0.04 0.45 -1.34 0.00 0.00 175.55 175.07 3bs2 s SER 88 N 0.79 0.10 0.00 4.32 0.15 -1.26 0.19 113.70 117.99 3bs2 s SER 88 Ca -0.04 -0.26 0.25 0.00 0.70 0.00 0.00 55.95 56.60 3bs2 s SER 88 Cb -0.05 0.13 0.35 0.00 -1.71 0.00 0.00 66.02 64.74 3bs2 s SER 88 CO -0.06 -0.24 1.34 -0.90 1.20 0.00 0.00 173.24 174.57 3bs2 n ASP 89 N 1.94 2.47 0.00 5.45 5.75 -1.06 -1.39 116.55 129.70 3bs2 n ASP 89 Ca -0.21 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3bs2 n ASP 89 Cb 0.56 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 3bs2 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bs2 n GLY 90 N 1.33 0.25 1.58 6.12 0.00 -1.26 -4.71 105.19 108.49 3bs2 n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3bs2 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bs2 n SER 91 N -0.50 0.10 0.00 1.61 7.64 -1.26 -3.12 113.62 118.08 3bs2 n SER 91 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bs2 n SER 91 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3bs2 n SER 91 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3bs2 n THR 92 N -2.53 0.00 -3.47 0.44 -2.24 -1.26 -4.55 114.28 100.67 3bs2 n THR 92 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3bs2 n THR 92 Cb 0.12 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 3bs2 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bs2 s ASP 94 N -2.07 0.46 -0.17 0.00 1.01 -0.32 -2.58 116.67 113.01 3bs2 s ASP 94 Ca -0.03 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 52.98 3bs2 s ASP 94 Cb -0.01 0.01 0.01 0.00 1.01 0.00 0.00 42.92 43.94 3bs2 s ASP 94 CO -0.04 -0.09 -0.19 -0.69 0.21 0.00 0.00 175.17 174.38 3bs2 s VAL 95 N -0.65 2.21 0.18 -1.27 1.01 0.13 -0.37 120.40 121.63 3bs2 s VAL 95 Ca -0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3bs2 s VAL 95 Cb -0.05 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3bs2 s VAL 95 CO -0.00 0.53 -0.07 0.68 0.00 0.00 0.00 175.10 176.24 3bs2 s VAL 96 N 1.10 1.17 -0.15 2.92 -7.23 -0.31 -0.48 120.40 117.42 3bs2 s VAL 96 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3bs2 s VAL 96 Cb -0.14 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3bs2 s VAL 96 CO -0.07 -0.59 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.38 3bs2 s ARG 97 N -3.78 3.26 -0.07 4.82 3.52 -0.21 -0.99 118.95 125.50 3bs2 s ARG 97 Ca 0.21 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 55.05 3bs2 s ARG 97 Cb 0.03 -2.63 0.04 0.00 -1.56 0.00 0.00 34.95 30.83 3bs2 s ARG 97 CO 0.04 0.07 0.15 -1.17 -0.81 0.00 0.00 175.30 173.57 3bs2 s LEU 98 N 0.70 0.38 -1.54 -0.88 2.96 -0.42 -1.09 118.68 118.78 3bs2 s LEU 98 Ca -0.07 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.01 3bs2 s LEU 98 Cb -0.16 0.31 0.09 0.00 0.50 0.00 0.00 46.19 46.94 3bs2 s LEU 98 CO 0.02 -0.19 0.95 0.59 -1.32 0.00 0.00 176.35 176.40 3bs2 n ASN 99 N 4.70 -4.50 0.00 3.68 3.02 -1.26 -1.09 115.26 119.81 3bs2 n ASN 99 Ca -0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3bs2 n ASN 99 Cb 0.51 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3bs2 n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bs2 n GLY 100 N -1.66 2.92 3.80 7.41 0.00 -1.26 -5.01 105.19 111.39 3bs2 n GLY 100 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3bs2 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bs2 s GLN 101 N -0.13 4.38 -0.22 1.61 -1.52 -0.25 -5.06 119.66 118.48 3bs2 s GLN 101 Ca 0.00 1.03 -0.10 0.00 -1.95 0.00 0.00 55.36 54.33 3bs2 s GLN 101 Cb 0.00 -2.91 -0.05 0.00 -0.22 0.00 0.00 33.01 29.83 3bs2 s GLN 101 CO 0.00 0.39 0.14 0.42 -0.25 0.00 0.00 175.29 175.99 3bs2 s ILE 102 N -1.50 5.38 -0.04 1.08 -1.09 -1.26 -1.30 121.20 122.46 3bs2 s ILE 102 Ca 0.44 0.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 3bs2 s ILE 102 Cb -0.18 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3bs2 s ILE 102 CO 0.22 0.40 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.58 3bs2 s GLU 103 N 0.63 1.62 -0.26 2.79 2.02 -0.16 -1.81 118.70 123.52 3bs2 s GLU 103 Ca 0.08 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 3bs2 s GLU 103 Cb -0.12 -1.41 0.02 0.00 0.10 0.00 0.00 34.13 32.72 3bs2 s GLU 103 CO 0.01 0.19 -0.01 -1.17 0.02 0.00 0.00 175.26 174.29 3bs2 s LEU 104 N 0.15 3.39 -0.02 1.80 2.96 0.43 -1.17 118.68 126.22 3bs2 s LEU 104 Ca -0.05 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 3bs2 s LEU 104 Cb -0.11 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3bs2 s LEU 104 CO 0.02 -0.14 0.00 0.26 -1.32 0.00 0.00 176.35 175.17 3bs2 s TRP 105 N 1.40 3.10 -0.00 5.38 0.52 0.50 -0.53 118.94 129.30 3bs2 s TRP 105 Ca 0.01 0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.29 3bs2 s TRP 105 Cb -0.17 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3bs2 s TRP 105 CO -0.02 0.46 -0.16 0.96 0.02 0.00 0.00 176.95 178.21 3bs2 s ILE 106 N -1.04 1.29 0.60 2.03 -4.36 0.14 -1.17 121.20 118.68 3bs2 s ILE 106 Ca 0.18 -0.76 -0.18 0.00 -0.26 0.00 0.00 60.65 59.63 3bs2 s ILE 106 Cb -0.11 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.48 3bs2 s ILE 106 CO 0.09 0.32 1.16 -2.28 0.24 0.00 0.00 174.94 174.46 3bs2 s HIS 107 N -0.45 2.51 0.50 1.37 5.65 0.25 -0.55 115.29 124.57 3bs2 s HIS 107 Ca 0.06 1.54 0.23 0.00 0.25 0.00 0.00 55.06 57.14 3bs2 s HIS 107 Cb -0.07 -3.35 1.29 0.00 -1.18 0.00 0.00 32.58 29.27 3bs2 s HIS 107 CO -0.00 -1.91 1.96 0.66 -0.65 0.00 0.00 174.74 174.80 3bs2 h SER 108 N 0.77 0.13 0.56 9.88 4.64 -1.17 0.12 113.55 128.48 3bs2 h SER 108 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3bs2 h SER 108 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3bs2 h SER 108 CO 0.55 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 3bs2 h SER 109 N 0.14 0.00 -0.11 4.97 4.64 -1.91 -3.13 113.55 118.15 3bs2 h SER 109 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3bs2 h SER 109 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3bs2 h SER 109 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 3bs2 n ALA 110 N -1.90 2.44 0.42 5.18 0.00 0.40 -4.63 120.51 122.43 3bs2 n ALA 110 Ca 0.00 -0.74 0.13 0.00 0.00 0.00 0.00 53.44 52.84 3bs2 n ALA 110 Cb 0.19 -0.66 0.48 0.00 0.00 0.00 0.00 19.45 19.46 3bs2 n ALA 110 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bs2 h THR 111 N 3.69 0.00 0.00 0.00 1.35 -1.58 -3.07 112.91 113.30 3bs2 h THR 111 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3bs2 h THR 111 Cb 0.81 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3bs2 h THR 111 CO 0.00 0.00 -0.46 0.77 -0.25 0.00 0.00 175.52 175.58 3bs2 h SER 112 N 0.00 0.00 -2.10 5.36 4.64 -1.85 -3.39 113.55 116.21 3bs2 h SER 112 Ca 0.00 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.71 3bs2 h SER 112 Cb 0.55 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.23 3bs2 h SER 112 CO 0.00 0.03 -0.94 0.59 -0.87 0.00 0.00 176.83 175.64 3bs2 n ASN 113 N -2.52 2.08 0.00 4.97 4.13 -1.16 -4.93 115.26 117.83 3bs2 n ASN 113 Ca 0.03 -3.18 0.09 0.00 1.68 0.00 0.00 54.58 53.20 3bs2 n ASN 113 Cb 0.49 -0.62 0.44 0.00 -1.54 0.00 0.00 39.78 38.55 3bs2 n ASN 113 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3bs2 n THR 114 N 0.47 0.57 1.33 3.41 -2.24 -1.25 -1.70 114.28 114.86 3bs2 n THR 114 Ca 0.26 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 3bs2 n THR 114 Cb 0.52 -0.82 0.38 0.00 -2.10 0.00 0.00 70.33 68.32 3bs2 n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bs2 n GLY 115 N 0.40 0.26 2.56 3.38 0.00 -1.26 -4.40 105.19 106.13 3bs2 n GLY 115 Ca 0.07 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3bs2 n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bs2 n ASN 116 N 0.47 2.94 -4.89 1.61 3.02 -0.69 -5.09 115.26 112.62 3bs2 n ASN 116 Ca 0.17 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.33 3bs2 n ASN 116 Cb 0.43 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3bs2 n ASN 116 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bs2 s LEU 117 N -3.38 3.44 -0.35 3.41 1.43 -1.25 -4.97 118.68 117.01 3bs2 s LEU 117 Ca 0.37 1.18 -0.44 0.00 -1.03 0.00 0.00 54.13 54.21 3bs2 s LEU 117 Cb 0.42 -4.18 -0.19 0.00 0.03 0.00 0.00 46.19 42.28 3bs2 s LEU 117 CO -0.05 -0.72 1.56 -3.20 0.23 0.00 0.00 176.35 174.17 3bs2 n ASN 118 N -2.48 1.39 0.19 2.29 2.85 -1.26 -4.81 115.26 113.43 3bs2 n ASN 118 Ca 0.03 1.15 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 3bs2 n ASN 118 Cb 0.55 -0.97 0.65 0.00 1.24 0.00 0.00 39.78 41.25 3bs2 n ASN 118 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3bs2 h SER 119 N 5.32 0.00 -0.22 1.20 4.64 -1.99 -0.76 113.55 121.74 3bs2 h SER 119 Ca -0.46 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 3bs2 h SER 119 Cb 1.36 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 3bs2 h SER 119 CO 0.92 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.75 3bs2 h THR 122 N -0.53 1.27 -0.43 0.00 1.35 -1.41 -1.18 112.91 111.97 3bs2 h THR 122 Ca -0.00 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 3bs2 h THR 122 Cb 0.52 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 3bs2 h THR 122 CO 0.00 0.43 0.24 0.44 -0.25 0.00 0.00 175.52 176.38 3bs2 h ASP 123 N 0.86 0.53 -0.54 5.36 3.32 -1.08 -0.58 116.42 124.29 3bs2 h ASP 123 Ca 0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3bs2 h ASP 123 Cb 0.64 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3bs2 h ASP 123 CO 0.04 0.46 0.17 0.50 -1.72 0.00 0.00 179.24 178.70 3bs2 h LYS 124 N 0.56 0.83 -0.15 3.56 1.63 -1.15 -0.40 116.57 121.46 3bs2 h LYS 124 Ca 0.15 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3bs2 h LYS 124 Cb 0.04 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3bs2 h LYS 124 CO -0.03 0.76 0.09 0.35 -3.45 0.00 0.00 179.45 177.18 3bs2 h PHE 125 N 0.74 0.19 -0.58 1.91 3.57 -1.06 -0.67 116.94 121.05 3bs2 h PHE 125 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3bs2 h PHE 125 Cb 0.27 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3bs2 h PHE 125 CO 0.02 0.14 0.14 -0.91 -2.23 0.00 0.00 178.31 175.47 3bs2 h ASN 126 N 0.18 0.83 -0.10 0.41 2.35 -0.89 -1.50 115.58 116.86 3bs2 h ASN 126 Ca 0.05 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3bs2 h ASN 126 Cb 0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3bs2 h ASN 126 CO -0.01 0.81 -0.02 1.56 -1.65 0.00 0.00 177.43 178.12 3bs2 h GLN 127 N 0.85 0.19 0.00 0.81 4.20 -0.90 -3.32 115.11 116.95 3bs2 h GLN 127 Ca 0.19 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3bs2 h GLN 127 Cb 0.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3bs2 h GLN 127 CO -0.00 0.50 -0.46 0.93 -0.67 0.00 0.00 178.83 179.12 3bs2 h GLU 128 N -0.12 0.00 0.00 1.46 4.39 -0.89 -2.93 114.58 116.49 3bs2 h GLU 128 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3bs2 h GLU 128 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3bs2 h GLU 128 CO 0.01 0.46 0.00 1.57 -1.16 0.00 0.00 179.01 179.89 3bs2 h LYS 129 N 0.00 0.00 0.00 2.33 2.10 -1.38 -3.48 116.57 116.14 3bs2 h LYS 129 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3bs2 h LYS 129 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3bs2 h LYS 129 CO 0.06 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.92 3bs2 n GLY 130 N 0.35 3.47 1.13 0.07 0.00 -1.11 -1.49 105.19 107.61 3bs2 n GLY 130 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3bs2 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bs2 n SER 131 N 4.42 3.28 -4.71 1.61 3.41 -1.26 -4.94 113.62 115.42 3bs2 n SER 131 Ca 0.00 -2.09 -0.42 0.00 -0.26 0.00 0.00 58.87 56.10 3bs2 n SER 131 Cb 0.00 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 3bs2 n SER 131 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3bs2 s ARG 132 N -1.37 4.57 0.43 4.33 0.52 -0.56 -5.00 118.95 121.86 3bs2 s ARG 132 Ca 0.39 1.48 -0.25 0.00 -0.52 0.00 0.00 55.73 56.83 3bs2 s ARG 132 Cb 0.22 -3.43 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 3bs2 s ARG 132 CO 0.25 -0.03 1.26 -2.30 0.02 0.00 0.00 175.30 174.50 3bs2 n PRO 133 N 3.68 1.90 -3.58 3.54 -0.02 -1.26 -4.98 135.00 134.27 3bs2 n PRO 133 Ca 0.06 0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 3bs2 n PRO 133 Cb 0.50 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3bs2 n PRO 133 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3bs2 s GLU 134 N -2.22 3.50 -0.03 -0.52 -1.05 -1.26 -4.50 118.70 112.61 3bs2 s GLU 134 Ca 0.61 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 55.07 3bs2 s GLU 134 Cb -0.51 -2.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.43 3bs2 s GLU 134 CO 0.58 0.28 -0.09 -1.01 0.95 0.00 0.00 175.26 175.97 3bs2 s HIS 135 N -2.10 0.94 -0.23 4.83 3.76 0.53 -4.97 115.29 118.05 3bs2 s HIS 135 Ca 0.39 -0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 54.95 3bs2 s HIS 135 Cb -0.10 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 3bs2 s HIS 135 CO 0.32 -0.10 0.22 0.08 -0.85 0.00 0.00 174.74 174.41 3bs2 s VAL 136 N 0.19 5.32 -0.14 -0.90 1.01 -1.26 -1.09 120.40 123.53 3bs2 s VAL 136 Ca -0.03 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.35 3bs2 s VAL 136 Cb -0.08 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 3bs2 s VAL 136 CO 0.00 0.32 0.01 0.52 0.00 0.00 0.00 175.10 175.95 3bs2 n VAL 137 N 4.35 0.91 -2.83 2.92 0.31 0.16 -4.97 118.33 119.18 3bs2 n VAL 137 Ca -0.13 -0.52 -0.38 0.00 -0.01 0.00 0.00 64.34 63.30 3bs2 n VAL 137 Cb 0.52 -0.74 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 3bs2 n VAL 137 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3bs2 s TYR 138 N -2.32 3.80 0.04 3.52 5.04 -1.03 -2.02 117.35 124.38 3bs2 s TYR 138 Ca -0.09 1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 56.28 3bs2 s TYR 138 Cb 0.04 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 39.44 3bs2 s TYR 138 CO 0.51 0.33 -0.00 -0.98 -1.34 0.00 0.00 175.55 174.06 3bs2 s ARG 139 N -1.69 0.49 0.55 4.97 1.70 -1.26 -4.98 118.95 118.73 3bs2 s ARG 139 Ca 0.45 -0.88 0.29 0.00 -0.47 0.00 0.00 55.73 55.11 3bs2 s ARG 139 Cb -0.21 0.17 1.63 0.00 -0.57 0.00 0.00 34.95 35.97 3bs2 s ARG 139 CO 0.26 -0.09 2.16 0.66 -1.08 0.00 0.00 175.30 177.21 3bs2 h SER 140 N 3.85 0.00 -0.01 -2.89 4.64 -1.98 -0.70 113.55 116.45 3bs2 h SER 140 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3bs2 h SER 140 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3bs2 h SER 140 CO 0.53 0.06 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 3bs2 n THR 141 N -3.73 0.01 -1.74 2.95 -2.24 -1.26 -4.87 114.28 103.40 3bs2 n THR 141 Ca -0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3bs2 n THR 141 Cb 0.17 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 3bs2 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bs2 s PRO 143 N -1.71 1.87 0.76 0.00 0.02 -1.26 -4.98 135.00 129.69 3bs2 s PRO 143 Ca 0.56 1.80 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 3bs2 s PRO 143 Cb -0.52 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.25 3bs2 s PRO 143 CO 0.60 -2.05 1.17 0.09 -0.33 0.00 0.00 177.00 176.48 3bs2 n ASN 144 N -2.99 1.13 -4.75 2.53 3.02 -1.26 -4.98 115.26 107.96 3bs2 n ASN 144 Ca 0.14 0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 55.02 3bs2 n ASN 144 Cb 0.50 -1.50 0.09 0.00 -0.61 0.00 0.00 39.78 38.26 3bs2 n ASN 144 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bs2 s LEU 145 N -4.78 3.16 0.35 3.41 1.43 -1.26 -4.94 118.68 116.04 3bs2 s LEU 145 Ca 0.75 2.01 -0.28 0.00 -1.03 0.00 0.00 54.13 55.57 3bs2 s LEU 145 Cb -0.32 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.23 3bs2 s LEU 145 CO 0.48 -2.09 1.44 -2.65 0.23 0.00 0.00 176.35 173.76 3bs2 n PRO 146 N -3.16 2.47 0.00 1.29 -0.02 -1.26 -5.13 135.00 129.19 3bs2 n PRO 146 Ca 0.10 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3bs2 n PRO 146 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3bs2 n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48