#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs1 s SER 2 N 0.00 -0.34 0.00 0.00 0.15 -1.26 -5.01 113.70 107.24 2bs1 s SER 2 Ca 0.00 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.22 2bs1 s SER 2 Cb 0.00 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2bs1 s SER 2 CO 0.00 -0.17 1.01 -0.46 1.20 0.00 0.00 173.24 174.82 2bs1 n ASN 3 N 1.59 2.08 -3.66 5.45 6.94 -1.26 -4.69 115.26 121.70 2bs1 n ASN 3 Ca -0.11 -1.96 -0.41 0.00 -0.02 0.00 0.00 54.58 52.09 2bs1 n ASN 3 Cb 0.57 -0.03 0.02 0.00 -2.36 0.00 0.00 39.78 37.97 2bs1 n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2bs1 n PHE 4 N -0.34 2.69 -4.22 -2.53 7.35 -1.26 -4.95 117.46 114.20 2bs1 n PHE 4 Ca 0.02 -2.59 -0.26 0.00 -0.76 0.00 0.00 57.45 53.85 2bs1 n PHE 4 Cb 0.26 -1.29 -0.07 0.00 0.35 0.00 0.00 39.48 38.74 2bs1 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bs1 s THR 5 N -3.76 2.05 0.33 -2.13 -4.23 -1.26 -4.77 115.64 101.88 2bs1 s THR 5 Ca 0.40 -1.73 -0.16 0.00 -1.18 0.00 0.00 61.69 59.02 2bs1 s THR 5 Cb 0.17 -2.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 2bs1 s THR 5 CO -0.10 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 174.75 2bs1 s GLN 6 N -3.94 4.05 0.21 3.99 -2.07 -1.26 -4.56 119.66 116.09 2bs1 s GLN 6 Ca 0.35 0.75 -0.08 0.00 -1.82 0.00 0.00 55.36 54.56 2bs1 s GLN 6 Cb 0.03 -2.42 -0.02 0.00 -1.09 0.00 0.00 33.01 29.51 2bs1 s GLN 6 CO 0.20 0.14 0.31 -0.59 -1.32 0.00 0.00 175.29 174.03 2bs1 s PHE 7 N -1.98 0.65 -0.34 9.60 -0.71 -0.86 -5.00 117.98 119.34 2bs1 s PHE 7 Ca 0.55 -0.97 -0.24 0.00 -1.04 0.00 0.00 56.93 55.22 2bs1 s PHE 7 Cb -0.10 -0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 2bs1 s PHE 7 CO 0.17 -0.80 0.84 0.08 -1.34 0.00 0.00 175.22 174.16 2bs1 s VAL 8 N -4.06 4.71 -0.08 -2.49 1.01 -1.26 -1.60 120.40 116.63 2bs1 s VAL 8 Ca 0.27 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 63.18 2bs1 s VAL 8 Cb 0.03 -4.23 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 2bs1 s VAL 8 CO 0.08 -0.40 0.68 0.25 0.00 0.00 0.00 175.10 175.72 2bs1 h LEU 9 N 9.74 0.43 -8.00 3.92 5.85 -1.27 -3.45 115.31 122.53 2bs1 h LEU 9 Ca -0.24 -0.89 -0.62 0.00 0.84 0.00 0.00 57.88 56.98 2bs1 h LEU 9 Cb 1.09 -0.14 -0.35 0.00 0.37 0.00 0.00 40.66 41.63 2bs1 h LEU 9 CO 0.93 1.56 -0.84 -0.69 -0.34 0.00 0.00 178.44 179.05 2bs1 s VAL 10 N -2.47 1.69 -0.29 1.05 1.01 -0.97 -4.99 120.40 115.43 2bs1 s VAL 10 Ca -0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2bs1 s VAL 10 Cb 0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2bs1 s VAL 10 CO 0.80 0.48 0.17 -0.62 0.00 0.00 0.00 175.10 175.92 2bs1 s ASP 11 N 1.20 5.74 -0.51 3.32 -1.08 -1.26 -0.84 116.67 123.23 2bs1 s ASP 11 Ca -0.00 -0.23 0.06 0.00 -0.52 0.00 0.00 52.55 51.86 2bs1 s ASP 11 Cb -0.14 -2.06 0.23 0.00 -1.46 0.00 0.00 42.92 39.50 2bs1 s ASP 11 CO -0.07 -0.11 0.57 0.59 0.52 0.00 0.00 175.17 176.68 2bs1 n ASN 12 N 5.02 1.64 0.00 -0.34 3.02 -1.26 -5.00 115.26 118.35 2bs1 n ASN 12 Ca -0.14 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 2bs1 n ASN 12 Cb 0.51 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2bs1 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs1 n GLY 13 N 1.45 0.90 0.10 7.41 0.00 -1.26 -3.75 105.19 110.05 2bs1 n GLY 13 Ca 0.25 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2bs1 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs1 n GLY 14 N 0.00 -0.46 3.43 -0.02 0.00 -1.26 -4.88 105.19 102.00 2bs1 n GLY 14 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2bs1 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs1 s THR 15 N -2.43 2.93 0.00 2.61 -4.23 -1.25 -4.43 115.64 108.84 2bs1 s THR 15 Ca -0.24 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2bs1 s THR 15 Cb 0.07 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2bs1 s THR 15 CO 0.56 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.83 2bs1 n GLY 16 N 2.60 1.19 3.73 3.99 0.00 -1.26 -4.78 105.19 110.66 2bs1 n GLY 16 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2bs1 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs1 s ASP 17 N -2.00 7.20 -0.26 1.61 1.11 -1.26 -4.32 116.67 118.74 2bs1 s ASP 17 Ca 0.00 1.44 -0.17 0.00 0.18 0.00 0.00 52.55 54.00 2bs1 s ASP 17 Cb 0.00 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 2bs1 s ASP 17 CO 0.00 -0.07 0.45 -0.69 1.18 0.00 0.00 175.17 176.05 2bs1 s VAL 18 N 0.34 5.12 0.01 -1.27 1.01 -0.02 -4.97 120.40 120.61 2bs1 s VAL 18 Ca 0.41 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.18 2bs1 s VAL 18 Cb -0.20 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2bs1 s VAL 18 CO 0.23 0.12 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 2bs1 s THR 19 N 2.16 3.36 -0.04 3.92 2.01 -1.26 -0.72 115.64 125.07 2bs1 s THR 19 Ca 0.19 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.36 2bs1 s THR 19 Cb -0.16 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 2bs1 s THR 19 CO 0.09 0.41 -0.18 0.54 -0.69 0.00 0.00 174.62 174.79 2bs1 s VAL 20 N -0.94 1.46 0.18 3.82 0.11 -0.63 -4.17 120.40 120.23 2bs1 s VAL 20 Ca 0.16 -0.74 0.11 0.00 -2.93 0.00 0.00 61.98 58.58 2bs1 s VAL 20 Cb -0.11 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2bs1 s VAL 20 CO 0.06 0.42 -0.24 0.00 -3.33 0.00 0.00 175.10 172.01 2bs1 s ALA 21 N 0.01 2.52 0.25 1.54 0.00 -0.57 -2.03 121.76 123.48 2bs1 s ALA 21 Ca -0.03 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 2bs1 s ALA 21 Cb -0.11 -0.37 -0.14 0.00 0.00 0.00 0.00 23.12 22.50 2bs1 s ALA 21 CO 0.02 0.46 1.25 -2.30 0.00 0.00 0.00 175.76 175.19 2bs1 n PRO 22 N 0.41 1.70 0.00 0.00 -0.02 -1.26 -0.81 135.00 135.02 2bs1 n PRO 22 Ca -0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2bs1 n PRO 22 Cb 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2bs1 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bs1 n SER 23 N 1.74 0.89 -3.56 2.55 3.41 0.15 -4.81 113.62 113.99 2bs1 n SER 23 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.59 2bs1 n SER 23 Cb 0.31 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 2bs1 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bs1 s ASN 24 N -0.70 -0.46 -0.30 4.04 3.84 -1.16 -5.02 114.94 115.18 2bs1 s ASN 24 Ca 0.00 0.50 0.19 0.00 0.21 0.00 0.00 52.86 53.77 2bs1 s ASN 24 Cb 0.00 0.38 0.48 0.00 -0.55 0.00 0.00 41.25 41.55 2bs1 s ASN 24 CO 0.00 -0.43 1.16 0.33 -2.79 0.00 0.00 177.10 175.37 2bs1 n PHE 25 N 0.79 0.48 -2.81 0.43 -0.00 -1.26 -0.72 117.46 114.36 2bs1 n PHE 25 Ca -0.13 -2.21 -0.40 0.00 -0.00 0.00 0.00 57.45 54.71 2bs1 n PHE 25 Cb 0.58 0.13 -0.05 0.00 -0.00 0.00 0.00 39.48 40.14 2bs1 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bs1 s ALA 26 N -2.78 3.32 -1.23 3.13 0.00 -1.23 -3.89 121.76 119.09 2bs1 s ALA 26 Ca 0.24 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 2bs1 s ALA 26 Cb 0.38 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2bs1 s ALA 26 CO -0.04 0.10 0.31 0.09 0.00 0.00 0.00 175.76 176.22 2bs1 n ASN 27 N 2.25 -4.90 -1.05 0.00 5.03 -1.26 -2.23 115.26 113.11 2bs1 n ASN 27 Ca -0.01 -0.15 -0.13 0.00 0.87 0.00 0.00 54.58 55.16 2bs1 n ASN 27 Cb 0.49 -3.84 -0.06 0.00 -1.02 0.00 0.00 39.78 35.35 2bs1 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bs1 n GLY 28 N -1.23 1.37 3.13 7.41 0.00 -1.25 -4.97 105.19 109.64 2bs1 n GLY 28 Ca -0.12 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2bs1 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs1 s VAL 29 N -2.50 2.77 0.12 1.61 1.01 -0.95 -4.58 120.40 117.89 2bs1 s VAL 29 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 2bs1 s VAL 29 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2bs1 s VAL 29 CO 0.00 -0.18 1.08 0.00 0.00 0.00 0.00 175.10 176.00 2bs1 s ALA 30 N 1.18 3.33 -0.04 5.51 0.00 0.04 -3.49 121.76 128.29 2bs1 s ALA 30 Ca -0.04 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.69 2bs1 s ALA 30 Cb -0.20 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2bs1 s ALA 30 CO -0.03 -0.22 -0.09 -2.00 0.00 0.00 0.00 175.76 173.42 2bs1 s GLU 31 N 0.14 1.11 -0.01 0.00 2.12 0.10 -0.55 118.70 121.63 2bs1 s GLU 31 Ca 0.51 -0.30 0.08 0.00 0.36 0.00 0.00 54.97 55.62 2bs1 s GLU 31 Cb -0.27 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.08 2bs1 s GLU 31 CO 0.32 0.07 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.28 2bs1 s TRP 32 N 0.41 2.36 -0.01 5.30 0.51 0.90 -0.67 118.94 127.75 2bs1 s TRP 32 Ca -0.07 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.51 2bs1 s TRP 32 Cb -0.11 -1.48 -0.00 0.00 -0.81 0.00 0.00 33.47 31.06 2bs1 s TRP 32 CO 0.01 0.02 -0.03 0.42 -0.51 0.00 0.00 176.95 176.86 2bs1 s ILE 33 N -0.67 0.27 0.82 2.03 -1.09 0.01 -1.36 121.20 121.21 2bs1 s ILE 33 Ca 0.11 -0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 2bs1 s ILE 33 Cb -0.10 -0.24 0.08 0.00 -1.58 0.00 0.00 42.46 40.62 2bs1 s ILE 33 CO -0.00 0.08 1.10 -0.94 -1.23 0.00 0.00 174.94 173.96 2bs1 s SER 34 N 0.01 4.28 0.86 3.58 1.04 -0.61 -1.51 113.70 121.35 2bs1 s SER 34 Ca 0.00 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 57.57 2bs1 s SER 34 Cb -0.02 -1.96 0.11 0.00 0.10 0.00 0.00 66.02 64.24 2bs1 s SER 34 CO -0.00 -2.10 1.19 -0.55 0.98 0.00 0.00 173.24 172.76 2bs1 s SER 35 N -3.90 4.05 0.00 7.02 0.15 -1.26 -4.68 113.70 115.09 2bs1 s SER 35 Ca 0.61 0.75 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2bs1 s SER 35 Cb -0.15 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2bs1 s SER 35 CO 0.54 -2.19 0.00 0.59 1.20 0.00 0.00 173.24 173.38 2bs1 n ASN 36 N -3.49 0.00 -4.42 5.45 3.02 -1.26 -4.78 115.26 109.77 2bs1 n ASN 36 Ca 0.09 0.00 -0.63 0.00 -0.03 0.00 0.00 54.58 54.01 2bs1 n ASN 36 Cb 0.60 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.67 2bs1 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2bs1 n SER 37 N 0.59 1.03 -0.11 6.41 7.64 -1.26 -4.74 113.62 123.18 2bs1 n SER 37 Ca 0.00 0.99 0.22 0.00 1.01 0.00 0.00 58.87 61.09 2bs1 n SER 37 Cb 0.00 -0.85 0.64 0.00 -1.01 0.00 0.00 64.21 62.99 2bs1 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2bs1 h ARG 38 N 6.04 0.12 0.00 1.43 9.65 -1.91 0.15 114.38 129.86 2bs1 h ARG 38 Ca -0.32 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.54 2bs1 h ARG 38 Cb 1.34 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2bs1 h ARG 38 CO 0.98 0.08 -0.08 0.66 2.80 0.00 0.00 179.97 184.41 2bs1 h SER 39 N 0.12 0.00 -0.12 -3.80 4.64 -1.86 -2.59 113.55 109.95 2bs1 h SER 39 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2bs1 h SER 39 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2bs1 h SER 39 CO -0.05 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2bs1 n GLN 40 N -3.67 2.17 -2.61 4.77 6.02 0.48 -3.75 117.38 120.79 2bs1 n GLN 40 Ca -0.02 -2.52 -0.29 0.00 -0.01 0.00 0.00 57.00 54.16 2bs1 n GLN 40 Cb 0.19 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2bs1 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bs1 s ALA 41 N -2.52 3.33 0.23 -1.58 0.00 -0.98 -4.85 121.76 115.40 2bs1 s ALA 41 Ca 0.32 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 2bs1 s ALA 41 Cb 0.26 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.59 2bs1 s ALA 41 CO 0.06 -0.27 0.61 0.71 0.00 0.00 0.00 175.76 176.87 2bs1 s TYR 42 N -2.66 3.47 0.01 0.00 1.51 -1.26 -4.56 117.35 113.86 2bs1 s TYR 42 Ca 0.50 1.04 0.02 0.00 -1.01 0.00 0.00 57.07 57.63 2bs1 s TYR 42 Cb -0.10 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.36 2bs1 s TYR 42 CO 0.41 0.27 -0.08 0.21 -1.11 0.00 0.00 175.55 175.25 2bs1 s LYS 43 N -2.57 0.57 -0.01 -0.62 2.20 -1.01 -1.57 119.74 116.74 2bs1 s LYS 43 Ca 0.46 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2bs1 s LYS 43 Cb -0.12 -0.51 0.01 0.00 -1.51 0.00 0.00 37.83 35.70 2bs1 s LYS 43 CO 0.20 0.13 0.00 0.08 -0.36 0.00 0.00 175.35 175.40 2bs1 s VAL 44 N -0.52 0.03 0.04 4.02 1.01 -0.47 -0.87 120.40 123.64 2bs1 s VAL 44 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2bs1 s VAL 44 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2bs1 s VAL 44 CO 0.00 0.05 -0.07 0.42 0.00 0.00 0.00 175.10 175.50 2bs1 s THR 45 N 0.40 0.49 -0.03 3.92 -4.23 -0.30 -0.07 115.64 115.82 2bs1 s THR 45 Ca -0.03 -1.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2bs1 s THR 45 Cb -0.05 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2bs1 s THR 45 CO -0.01 -0.39 0.29 0.00 -0.54 0.00 0.00 174.62 173.97 2bs1 s SER 47 N -1.11 -0.46 0.07 0.00 1.04 -1.05 -0.78 113.70 111.42 2bs1 s SER 47 Ca -0.12 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.60 2bs1 s SER 47 Cb -0.05 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2bs1 s SER 47 CO 0.03 -0.60 -0.12 -0.69 0.98 0.00 0.00 173.24 172.84 2bs1 s VAL 48 N -2.33 0.96 0.05 5.02 1.01 -1.26 -1.02 120.40 122.83 2bs1 s VAL 48 Ca -0.01 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.35 2bs1 s VAL 48 Cb -0.01 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.38 2bs1 s VAL 48 CO -0.03 -0.35 0.62 0.00 0.00 0.00 0.00 175.10 175.34 2bs1 s ARG 49 N -2.01 1.14 -0.65 2.72 1.70 -0.81 -4.97 118.95 116.07 2bs1 s ARG 49 Ca -0.01 -0.12 -0.27 0.00 -0.47 0.00 0.00 55.73 54.85 2bs1 s ARG 49 Cb -0.08 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2bs1 s ARG 49 CO 0.01 -0.43 1.49 -1.14 -1.08 0.00 0.00 175.30 174.15 2bs1 s GLN 50 N -2.45 3.06 0.50 3.89 2.00 -1.26 -0.17 119.66 125.23 2bs1 s GLN 50 Ca -0.05 0.20 0.29 0.00 -2.00 0.00 0.00 55.36 53.80 2bs1 s GLN 50 Cb -0.01 -4.22 0.98 0.00 0.80 0.00 0.00 33.01 30.56 2bs1 s GLN 50 CO -0.01 -2.26 1.84 0.66 -0.50 0.00 0.00 175.29 175.02 2bs1 h SER 51 N 11.74 0.00 -1.48 6.67 4.64 -1.32 -3.47 113.55 130.31 2bs1 h SER 51 Ca -0.27 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2bs1 h SER 51 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2bs1 h SER 51 CO 1.23 0.04 0.16 -1.54 -0.87 0.00 0.00 176.83 175.86 2bs1 n SER 52 N -3.13 -0.73 -0.30 4.97 3.41 -0.95 -4.96 113.62 111.93 2bs1 n SER 52 Ca 0.02 -1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 57.18 2bs1 n SER 52 Cb 0.40 1.19 0.18 0.00 -0.26 0.00 0.00 64.21 65.72 2bs1 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs1 h ALA 53 N 2.00 1.38 -0.09 7.33 0.00 -2.03 -3.18 119.26 124.66 2bs1 h ALA 53 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bs1 h ALA 53 Cb 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bs1 h ALA 53 CO 0.14 0.58 0.00 1.04 0.00 0.00 0.00 179.25 181.01 2bs1 n GLN 54 N -4.40 1.54 -4.66 0.00 6.02 -1.26 -4.94 117.38 109.68 2bs1 n GLN 54 Ca 0.10 -1.34 -0.24 0.00 -0.01 0.00 0.00 57.00 55.51 2bs1 n GLN 54 Cb 0.03 -1.11 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 2bs1 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bs1 s ASN 55 N -0.75 2.13 0.12 1.08 0.01 -1.20 0.26 114.94 116.59 2bs1 s ASN 55 Ca 0.09 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 51.88 2bs1 s ASN 55 Cb 0.05 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.48 2bs1 s ASN 55 CO 0.07 0.16 -0.09 -0.13 -1.51 0.00 0.00 177.10 175.59 2bs1 s ARG 56 N -0.87 2.13 -0.03 -0.60 0.52 -0.68 -0.92 118.95 118.49 2bs1 s ARG 56 Ca 0.06 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 2bs1 s ARG 56 Cb -0.08 -2.28 0.03 0.00 0.52 0.00 0.00 34.95 33.14 2bs1 s ARG 56 CO 0.01 0.49 0.01 0.21 0.02 0.00 0.00 175.30 176.04 2bs1 s LYS 57 N -2.35 0.28 0.05 3.54 2.20 0.76 -1.16 119.74 123.05 2bs1 s LYS 57 Ca 0.22 0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 2bs1 s LYS 57 Cb -0.11 -0.50 -0.05 0.00 -1.51 0.00 0.00 37.83 35.67 2bs1 s LYS 57 CO 0.14 -0.16 0.28 0.71 -0.36 0.00 0.00 175.35 175.96 2bs1 s TYR 58 N 1.16 3.54 -0.26 4.03 1.51 0.57 -1.93 117.35 125.96 2bs1 s TYR 58 Ca -0.08 0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 56.47 2bs1 s TYR 58 Cb -0.13 -1.94 0.08 0.00 -0.11 0.00 0.00 41.96 39.86 2bs1 s TYR 58 CO -0.02 0.57 0.06 0.99 -1.11 0.00 0.00 175.55 176.04 2bs1 s THR 59 N -1.42 0.88 -0.10 -0.71 2.01 -0.19 -1.16 115.64 114.94 2bs1 s THR 59 Ca 0.32 -1.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 2bs1 s THR 59 Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2bs1 s THR 59 CO 0.20 -0.45 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.03 2bs1 s ILE 60 N 1.65 4.11 0.01 1.82 -1.09 -0.42 -2.53 121.20 124.75 2bs1 s ILE 60 Ca 0.04 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2bs1 s ILE 60 Cb -0.17 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 2bs1 s ILE 60 CO -0.17 0.58 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.54 2bs1 s LYS 61 N -0.58 0.31 0.00 2.79 1.02 -0.32 -0.37 119.74 122.60 2bs1 s LYS 61 Ca 0.09 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.83 2bs1 s LYS 61 Cb -0.12 -0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2bs1 s LYS 61 CO 0.02 0.06 -0.02 0.08 -0.92 0.00 0.00 175.35 174.56 2bs1 s VAL 62 N -0.41 0.19 -0.14 3.17 1.01 -0.45 -1.15 120.40 122.61 2bs1 s VAL 62 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2bs1 s VAL 62 Cb -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.19 2bs1 s VAL 62 CO -0.00 0.00 -0.12 -1.61 0.00 0.00 0.00 175.10 173.37 2bs1 s GLU 63 N -0.19 2.09 -0.23 2.72 2.02 -0.05 -0.49 118.70 124.57 2bs1 s GLU 63 Ca -0.01 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 2bs1 s GLU 63 Cb -0.02 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 2bs1 s GLU 63 CO -0.00 -0.25 0.00 0.08 0.02 0.00 0.00 175.26 175.11 2bs1 s VAL 64 N 1.54 3.79 0.37 2.63 1.01 -0.55 -2.40 120.40 126.79 2bs1 s VAL 64 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2bs1 s VAL 64 Cb -0.13 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2bs1 s VAL 64 CO -0.10 0.40 0.62 -2.16 0.00 0.00 0.00 175.10 173.86 2bs1 s PRO 65 N 1.43 3.56 -0.54 2.72 0.04 -1.26 -0.38 135.00 140.58 2bs1 s PRO 65 Ca 0.05 -0.04 -0.04 0.00 0.04 0.00 0.00 61.00 61.01 2bs1 s PRO 65 Cb -0.15 -2.57 0.14 0.00 0.04 0.00 0.00 34.50 31.97 2bs1 s PRO 65 CO 0.00 0.07 0.37 0.21 0.04 0.00 0.00 177.00 177.69 2bs1 s LYS 66 N -4.15 2.42 0.33 4.56 2.47 -0.55 -4.96 119.74 119.87 2bs1 s LYS 66 Ca 0.44 -2.17 -0.28 0.00 -1.56 0.00 0.00 55.97 52.39 2bs1 s LYS 66 Cb -0.10 -3.75 -0.13 0.00 -1.46 0.00 0.00 37.83 32.39 2bs1 s LYS 66 CO 0.36 -1.15 1.27 0.28 0.16 0.00 0.00 175.35 176.27 2bs1 n VAL 67 N 4.10 1.93 -3.75 4.02 0.31 -1.26 0.16 118.33 123.83 2bs1 n VAL 67 Ca 0.02 -0.48 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 2bs1 n VAL 67 Cb 0.40 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 31.81 2bs1 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs1 s ALA 68 N -1.02 -1.68 -0.17 3.52 0.00 -0.73 -4.66 121.76 117.01 2bs1 s ALA 68 Ca 0.57 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2bs1 s ALA 68 Cb -0.59 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 2bs1 s ALA 68 CO 0.61 -1.04 -0.13 0.99 0.00 0.00 0.00 175.76 176.19 2bs1 s THR 69 N -3.24 2.81 -0.18 0.00 2.01 -1.26 -1.39 115.64 114.38 2bs1 s THR 69 Ca 0.12 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 2bs1 s THR 69 Cb -0.01 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2bs1 s THR 69 CO 0.02 0.50 0.21 -1.58 -0.69 0.00 0.00 174.62 173.07 2bs1 s GLN 70 N 1.00 4.22 -0.13 4.92 0.74 -0.49 -4.93 119.66 125.00 2bs1 s GLN 70 Ca -0.01 -0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.34 2bs1 s GLN 70 Cb -0.15 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.55 2bs1 s GLN 70 CO -0.02 0.27 -0.17 0.99 -0.55 0.00 0.00 175.29 175.80 2bs1 s THR 71 N 0.42 1.73 -0.07 -0.34 2.01 -1.26 -0.90 115.64 117.24 2bs1 s THR 71 Ca 0.12 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 2bs1 s THR 71 Cb -0.12 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2bs1 s THR 71 CO 0.01 0.49 0.12 -0.69 -0.69 0.00 0.00 174.62 173.85 2bs1 s VAL 72 N 1.08 -0.19 -1.04 3.82 1.01 -0.36 -4.80 120.40 119.93 2bs1 s VAL 72 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2bs1 s VAL 72 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2bs1 s VAL 72 CO -0.05 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2bs1 n GLY 73 N 5.19 1.10 1.59 4.51 0.00 -1.26 -1.87 105.19 114.46 2bs1 n GLY 73 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2bs1 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs1 n GLY 74 N -1.34 1.21 3.73 -0.02 0.00 -1.26 -5.03 105.19 102.47 2bs1 n GLY 74 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2bs1 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs1 s VAL 75 N -2.78 5.31 0.01 1.61 1.01 -0.78 -5.08 120.40 119.71 2bs1 s VAL 75 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2bs1 s VAL 75 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2bs1 s VAL 75 CO 0.00 0.40 -0.18 -1.83 0.00 0.00 0.00 175.10 173.49 2bs1 s GLU 76 N 0.43 2.18 0.05 2.72 -1.05 -1.26 -1.22 118.70 120.56 2bs1 s GLU 76 Ca 0.16 -0.91 0.04 0.00 -0.15 0.00 0.00 54.97 54.11 2bs1 s GLU 76 Cb -0.13 -2.22 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 2bs1 s GLU 76 CO 0.03 0.56 -0.11 -0.51 0.95 0.00 0.00 175.26 176.19 2bs1 s LEU 77 N -1.19 2.26 -0.24 1.83 1.43 -0.08 -4.97 118.68 117.72 2bs1 s LEU 77 Ca 0.13 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 2bs1 s LEU 77 Cb -0.10 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 2bs1 s LEU 77 CO 0.04 -0.14 1.22 -2.84 0.23 0.00 0.00 176.35 174.85 2bs1 s PRO 78 N -1.63 4.10 0.31 1.29 0.02 -1.26 -1.39 135.00 136.44 2bs1 s PRO 78 Ca -0.06 1.39 0.05 0.00 0.02 0.00 0.00 61.00 62.40 2bs1 s PRO 78 Cb -0.10 -3.78 -0.02 0.00 0.02 0.00 0.00 34.50 30.62 2bs1 s PRO 78 CO 0.01 -0.87 0.19 1.33 -0.33 0.00 0.00 177.00 177.33 2bs1 n VAL 79 N 5.73 0.00 -3.92 3.83 0.24 -0.49 -4.68 118.33 119.04 2bs1 n VAL 79 Ca 0.14 -2.03 -0.35 0.00 -2.04 0.00 0.00 64.34 60.05 2bs1 n VAL 79 Cb 0.46 0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 33.58 2bs1 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs1 s ALA 80 N -3.05 2.78 0.30 2.33 0.00 -1.25 -1.77 121.76 121.10 2bs1 s ALA 80 Ca 0.27 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2bs1 s ALA 80 Cb 0.01 -1.75 0.72 0.00 0.00 0.00 0.00 23.12 22.11 2bs1 s ALA 80 CO 0.19 -0.67 1.75 0.00 0.00 0.00 0.00 175.76 177.03 2bs1 h ALA 81 N 8.08 1.57 -2.37 0.00 0.00 -0.56 -3.45 119.26 122.54 2bs1 h ALA 81 Ca -0.36 0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.82 2bs1 h ALA 81 Cb 1.13 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2bs1 h ALA 81 CO 0.59 -0.15 0.50 1.67 0.00 0.00 0.00 179.25 181.87 2bs1 s TRP 82 N -5.87 -0.08 0.05 0.00 1.48 -1.26 -5.02 118.94 108.24 2bs1 s TRP 82 Ca -0.11 -0.25 0.05 0.00 -1.06 0.00 0.00 56.10 54.73 2bs1 s TRP 82 Cb 0.25 0.65 -0.02 0.00 -1.16 0.00 0.00 33.47 33.19 2bs1 s TRP 82 CO 0.79 -0.85 -0.13 1.03 -4.06 0.00 0.00 176.95 173.73 2bs1 s ARG 83 N -3.05 0.82 -0.17 3.25 0.52 -1.26 -1.48 118.95 117.57 2bs1 s ARG 83 Ca 0.14 -0.83 -0.07 0.00 -0.52 0.00 0.00 55.73 54.45 2bs1 s ARG 83 Cb -0.02 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 2bs1 s ARG 83 CO 0.03 0.18 0.05 0.45 0.02 0.00 0.00 175.30 176.04 2bs1 s SER 84 N -1.44 5.55 -0.15 0.23 0.15 0.49 -4.96 113.70 113.58 2bs1 s SER 84 Ca -0.01 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 2bs1 s SER 84 Cb -0.09 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.28 2bs1 s SER 84 CO 0.02 0.19 -0.11 -0.31 1.20 0.00 0.00 173.24 174.23 2bs1 s TYR 85 N 0.25 2.85 -0.08 3.44 1.51 -1.26 -1.47 117.35 122.59 2bs1 s TYR 85 Ca 0.03 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 2bs1 s TYR 85 Cb -0.12 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2bs1 s TYR 85 CO 0.01 -0.27 -0.14 -1.17 -1.11 0.00 0.00 175.55 172.86 2bs1 s LEU 86 N 0.57 2.72 -0.11 -1.29 2.96 0.36 -5.00 118.68 118.88 2bs1 s LEU 86 Ca -0.07 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2bs1 s LEU 86 Cb -0.15 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.02 2bs1 s LEU 86 CO 0.03 0.27 0.16 0.00 -1.32 0.00 0.00 176.35 175.50 2bs1 s ALA 87 N -0.29 -0.11 0.04 5.97 0.00 -1.26 -1.34 121.76 124.77 2bs1 s ALA 87 Ca 0.02 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.46 2bs1 s ALA 87 Cb -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2bs1 s ALA 87 CO 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 175.76 174.84 2bs1 s MET 88 N 2.28 1.42 -0.13 0.00 0.23 0.50 -5.00 119.30 118.60 2bs1 s MET 88 Ca 0.04 -0.94 0.01 0.00 -1.03 0.00 0.00 55.69 53.77 2bs1 s MET 88 Cb -0.13 -1.53 -0.00 0.00 -1.53 0.00 0.00 34.83 31.64 2bs1 s MET 88 CO -0.07 0.39 -0.18 0.15 -2.03 0.00 0.00 175.02 173.28 2bs1 s LYS 89 N -1.15 3.18 -0.23 3.16 -0.14 -1.26 -1.30 119.74 122.00 2bs1 s LYS 89 Ca 0.08 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2bs1 s LYS 89 Cb -0.09 -2.51 0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2bs1 s LYS 89 CO 0.02 0.09 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.48 2bs1 s LEU 90 N 0.60 2.45 -0.22 3.17 2.96 -0.31 -4.96 118.68 122.36 2bs1 s LEU 90 Ca -0.10 -1.12 -0.12 0.00 -0.22 0.00 0.00 54.13 52.57 2bs1 s LEU 90 Cb -0.16 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 2bs1 s LEU 90 CO 0.03 -0.23 0.20 -0.89 -1.32 0.00 0.00 176.35 174.14 2bs1 s THR 91 N 1.42 5.34 -0.11 3.68 2.01 -1.26 -0.31 115.64 126.40 2bs1 s THR 91 Ca -0.05 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2bs1 s THR 91 Cb -0.18 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.81 2bs1 s THR 91 CO -0.06 0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 2bs1 s ILE 92 N 0.98 0.83 0.58 1.82 1.01 -0.31 -4.98 121.20 121.13 2bs1 s ILE 92 Ca 0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 2bs1 s ILE 92 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2bs1 s ILE 92 CO 0.04 0.26 1.23 -2.65 0.00 0.00 0.00 174.94 173.82 2bs1 n PRO 93 N 5.00 1.31 0.00 2.79 -0.02 -1.26 -1.69 135.00 141.12 2bs1 n PRO 93 Ca -0.11 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2bs1 n PRO 93 Cb 0.49 -2.44 0.27 0.00 -0.02 0.00 0.00 33.50 31.81 2bs1 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bs1 n ILE 94 N -1.45 0.59 0.77 4.25 -5.35 0.14 -2.11 119.36 116.21 2bs1 n ILE 94 Ca 0.13 0.15 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 2bs1 n ILE 94 Cb 0.46 -0.98 0.23 0.00 -1.74 0.00 0.00 39.64 37.61 2bs1 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bs1 n PHE 95 N -1.22 0.29 -2.03 4.28 3.72 -1.26 -4.89 117.46 116.35 2bs1 n PHE 95 Ca 0.05 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 2bs1 n PHE 95 Cb 0.07 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 2bs1 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bs1 s ALA 96 N -3.09 3.66 0.87 4.37 0.00 -0.90 -5.01 121.76 121.67 2bs1 s ALA 96 Ca 0.09 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 2bs1 s ALA 96 Cb 0.15 -3.63 0.18 0.00 0.00 0.00 0.00 23.12 19.82 2bs1 s ALA 96 CO 0.70 -0.91 1.19 0.95 0.00 0.00 0.00 175.76 177.69 2bs1 s THR 97 N 2.02 2.04 0.33 0.00 -4.23 -1.26 -4.85 115.64 109.69 2bs1 s THR 97 Ca 0.69 -0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2bs1 s THR 97 Cb -0.38 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 70.90 2bs1 s THR 97 CO 0.30 0.00 1.94 0.78 -0.54 0.00 0.00 174.62 177.11 2bs1 h ASN 98 N -1.20 0.68 -0.03 3.99 4.21 -1.99 -1.63 115.58 119.61 2bs1 h ASN 98 Ca -0.40 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 2bs1 h ASN 98 Cb 1.24 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2bs1 h ASN 98 CO 0.37 0.58 0.01 0.28 -1.29 0.00 0.00 177.43 177.38 2bs1 h SER 99 N 0.75 0.04 -0.94 5.81 0.02 -1.99 -0.85 113.55 116.40 2bs1 h SER 99 Ca 0.19 -0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2bs1 h SER 99 Cb 0.08 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 2bs1 h SER 99 CO -0.03 0.18 0.58 0.44 -1.14 0.00 0.00 176.83 176.87 2bs1 h ASP 100 N -0.11 0.85 -0.35 3.07 3.32 -1.79 -1.45 116.42 119.96 2bs1 h ASP 100 Ca 0.01 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2bs1 h ASP 100 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2bs1 h ASP 100 CO -0.00 0.48 -0.23 0.00 -1.72 0.00 0.00 179.24 177.77 2bs1 h GLU 102 N 0.73 0.00 -0.10 0.00 5.08 -0.17 -1.59 114.58 118.52 2bs1 h GLU 102 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2bs1 h GLU 102 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2bs1 h GLU 102 CO 0.06 0.18 -0.26 1.25 -1.00 0.00 0.00 179.01 179.24 2bs1 h LEU 103 N 0.00 0.41 -0.91 1.33 5.85 -0.91 -2.27 115.31 118.81 2bs1 h LEU 103 Ca -0.00 -0.59 0.07 0.00 0.84 0.00 0.00 57.88 58.20 2bs1 h LEU 103 Cb 0.31 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2bs1 h LEU 103 CO 0.02 0.92 0.57 0.40 -0.34 0.00 0.00 178.44 180.01 2bs1 h ILE 104 N -0.09 1.04 -0.61 4.05 2.04 -0.91 -0.28 117.51 122.75 2bs1 h ILE 104 Ca -0.00 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2bs1 h ILE 104 Cb 0.87 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2bs1 h ILE 104 CO 0.06 0.19 0.07 0.58 0.00 0.00 0.00 178.15 179.04 2bs1 h VAL 105 N 1.02 1.26 -0.42 1.67 2.07 -1.25 -1.90 116.25 118.70 2bs1 h VAL 105 Ca 0.40 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2bs1 h VAL 105 Cb 0.20 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2bs1 h VAL 105 CO -0.18 0.39 0.10 0.11 0.02 0.00 0.00 177.57 178.01 2bs1 h LYS 106 N 0.94 0.62 -0.57 1.57 1.57 -0.68 -0.71 116.57 119.30 2bs1 h LYS 106 Ca 0.18 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2bs1 h LYS 106 Cb 0.47 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2bs1 h LYS 106 CO 0.02 0.57 0.23 0.00 -0.57 0.00 0.00 179.45 179.70 2bs1 h ALA 107 N 1.51 0.74 -0.60 3.86 0.00 -0.52 0.46 119.26 124.71 2bs1 h ALA 107 Ca 0.14 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2bs1 h ALA 107 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2bs1 h ALA 107 CO -0.00 0.35 0.08 0.52 0.00 0.00 0.00 179.25 180.20 2bs1 h MET 108 N 0.78 1.00 -0.34 0.00 2.86 -0.64 -0.92 114.93 117.67 2bs1 h MET 108 Ca 0.19 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 2bs1 h MET 108 Cb 0.19 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2bs1 h MET 108 CO -0.02 0.95 -0.20 1.96 1.06 0.00 0.00 176.91 180.66 2bs1 h GLN 109 N 0.90 0.65 -0.38 1.72 4.20 -0.87 -2.97 115.11 118.35 2bs1 h GLN 109 Ca 0.18 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 2bs1 h GLN 109 Cb 0.45 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2bs1 h GLN 109 CO 0.01 0.81 -0.25 0.78 -0.67 0.00 0.00 178.83 179.51 2bs1 h GLY 110 N 0.99 0.92 0.59 3.46 0.00 -0.66 -1.97 103.07 106.40 2bs1 h GLY 110 Ca 0.09 -0.87 0.15 0.00 0.00 0.00 0.00 47.33 46.70 2bs1 h GLY 110 CO 0.05 0.78 0.54 -2.00 0.00 0.00 0.00 176.54 175.91 2bs1 h LEU 111 N 0.65 0.47 -2.76 3.11 5.85 -1.01 -2.48 115.31 119.14 2bs1 h LEU 111 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2bs1 h LEU 111 Cb 0.82 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2bs1 h LEU 111 CO 0.07 0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 2bs1 n LEU 112 N -4.51 3.10 -4.77 2.25 4.77 -1.13 -4.17 117.00 112.54 2bs1 n LEU 112 Ca 0.16 -1.92 -0.39 0.00 -0.03 0.00 0.00 56.01 53.82 2bs1 n LEU 112 Cb 0.53 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2bs1 n LEU 112 CO 0.31 0.76 1.00 -0.75 -1.33 0.00 0.00 177.39 177.38 2bs1 s LYS 113 N -1.01 3.81 0.30 3.23 2.20 -0.75 -4.78 119.74 122.72 2bs1 s LYS 113 Ca 0.28 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.84 2bs1 s LYS 113 Cb 0.15 -2.68 -0.13 0.00 -1.51 0.00 0.00 37.83 33.67 2bs1 s LYS 113 CO 0.20 -0.66 1.32 -0.25 -0.36 0.00 0.00 175.35 175.60 2bs1 n ASP 114 N -0.08 2.68 0.00 1.43 8.00 -1.26 -2.12 116.55 125.19 2bs1 n ASP 114 Ca 0.05 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2bs1 n ASP 114 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2bs1 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs1 n GLY 115 N 1.37 3.02 3.78 0.44 0.00 -1.26 -5.05 105.19 107.48 2bs1 n GLY 115 Ca 0.08 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2bs1 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bs1 s ASN 116 N 0.65 4.99 0.00 1.61 0.01 -0.90 -4.85 114.94 116.44 2bs1 s ASN 116 Ca 0.00 1.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 2bs1 s ASN 116 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2bs1 s ASN 116 CO 0.00 -1.71 0.98 -2.65 -1.51 0.00 0.00 177.10 172.21 2bs1 n PRO 117 N -2.95 0.00 -0.04 -0.60 -0.02 -1.26 -2.13 135.00 128.00 2bs1 n PRO 117 Ca 0.09 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 2bs1 n PRO 117 Cb 0.53 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 2bs1 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bs1 h ILE 118 N 0.00 0.21 -0.07 4.25 5.03 -1.94 -0.59 117.51 124.40 2bs1 h ILE 118 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 2bs1 h ILE 118 Cb 0.00 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 34.00 2bs1 h ILE 118 CO 0.00 0.00 -0.06 1.55 -0.68 0.00 0.00 178.15 178.96 2bs1 h PRO 119 N -0.38 0.10 -0.09 2.37 0.13 -1.72 -2.15 132.00 130.26 2bs1 h PRO 119 Ca 0.11 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 65.03 2bs1 h PRO 119 Cb 0.57 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2bs1 h PRO 119 CO -0.44 0.17 -0.76 0.77 -0.23 0.00 0.00 178.00 177.52 2bs1 h SER 120 N 0.10 0.58 -0.24 1.44 0.02 -0.84 -2.33 113.55 112.28 2bs1 h SER 120 Ca 0.02 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 2bs1 h SER 120 Cb 0.18 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2bs1 h SER 120 CO 0.01 1.15 -0.02 0.00 -1.14 0.00 0.00 176.83 176.83 2bs1 h ALA 121 N 0.84 0.33 -0.13 3.77 0.00 -0.68 -2.93 119.26 120.45 2bs1 h ALA 121 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bs1 h ALA 121 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2bs1 h ALA 121 CO 0.14 0.08 0.08 0.82 0.00 0.00 0.00 179.25 180.36 2bs1 h ILE 122 N 0.20 1.02 0.00 0.00 2.04 -1.43 0.13 117.51 119.47 2bs1 h ILE 122 Ca 0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2bs1 h ILE 122 Cb 0.44 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2bs1 h ILE 122 CO 0.02 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2bs1 n ALA 123 N -2.14 1.55 -0.90 1.87 0.00 -0.88 -2.29 120.51 117.73 2bs1 n ALA 123 Ca -0.04 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2bs1 n ALA 123 Cb 0.03 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 18.45 2bs1 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bs1 n ALA 124 N -1.37 2.23 -3.15 0.00 0.00 -0.93 -4.96 120.51 112.33 2bs1 n ALA 124 Ca 0.04 -2.36 -0.22 0.00 0.00 0.00 0.00 53.44 50.89 2bs1 n ALA 124 Cb 0.09 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.23 2bs1 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bs1 n ASN 125 N -1.27 -4.96 -4.52 0.00 3.02 -0.97 -4.95 115.26 101.61 2bs1 n ASN 125 Ca 0.14 -0.31 -0.29 0.00 -0.03 0.00 0.00 54.58 54.08 2bs1 n ASN 125 Cb 0.58 -4.05 -0.09 0.00 -0.61 0.00 0.00 39.78 35.62 2bs1 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bs1 s SER 126 N -2.68 3.52 0.00 6.41 0.01 0.39 -5.04 113.70 116.31 2bs1 s SER 126 Ca 0.33 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2bs1 s SER 126 Cb -0.16 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2bs1 s SER 126 CO 0.41 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2bs1 n GLY 127 N -1.06 5.05 3.88 3.44 0.00 -1.26 -4.22 105.19 111.02 2bs1 n GLY 127 Ca -0.12 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2bs1 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs1 s ILE 128 N 1.87 5.13 0.00 -0.61 -1.09 -1.26 -4.77 121.20 120.47 2bs1 s ILE 128 Ca 0.00 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 2bs1 s ILE 128 Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2bs1 s ILE 128 CO 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 174.94 173.90