#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs0 s SER 2 N 0.00 -0.18 0.00 0.00 0.15 -1.26 -5.01 113.70 107.39 2bs0 s SER 2 Ca 0.00 0.31 0.05 0.00 0.70 0.00 0.00 55.95 57.01 2bs0 s SER 2 Cb 0.00 0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.72 2bs0 s SER 2 CO 0.00 -0.09 0.99 -0.46 1.20 0.00 0.00 173.24 174.88 2bs0 n ASN 3 N 1.43 2.14 -3.89 5.45 6.94 -1.26 -4.70 115.26 121.38 2bs0 n ASN 3 Ca -0.09 -1.79 -0.42 0.00 -0.02 0.00 0.00 54.58 52.26 2bs0 n ASN 3 Cb 0.57 -0.08 0.01 0.00 -2.36 0.00 0.00 39.78 37.92 2bs0 n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2bs0 n PHE 4 N 0.04 2.54 -4.53 -2.53 7.35 -1.26 -4.93 117.46 114.14 2bs0 n PHE 4 Ca 0.05 -2.66 -0.25 0.00 -0.76 0.00 0.00 57.45 53.83 2bs0 n PHE 4 Cb 0.27 -1.55 -0.11 0.00 0.35 0.00 0.00 39.48 38.45 2bs0 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bs0 s THR 5 N -1.62 1.68 0.41 -2.13 -4.23 -1.26 -4.82 115.64 103.66 2bs0 s THR 5 Ca 0.36 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2bs0 s THR 5 Cb 0.09 -2.85 -0.09 0.00 1.34 0.00 0.00 72.50 70.98 2bs0 s THR 5 CO 0.04 -0.04 0.86 0.00 -0.54 0.00 0.00 174.62 174.94 2bs0 s GLN 6 N -3.77 4.04 0.18 3.99 -2.07 -1.26 -4.56 119.66 116.21 2bs0 s GLN 6 Ca 0.35 0.85 -0.11 0.00 -1.82 0.00 0.00 55.36 54.63 2bs0 s GLN 6 Cb 0.09 -2.28 -0.00 0.00 -1.09 0.00 0.00 33.01 29.72 2bs0 s GLN 6 CO 0.16 -0.02 0.35 -0.59 -1.32 0.00 0.00 175.29 173.88 2bs0 s PHE 7 N -2.23 0.33 -0.37 9.60 -0.71 -0.77 -4.99 117.98 118.84 2bs0 s PHE 7 Ca 0.57 -0.69 -0.27 0.00 -1.04 0.00 0.00 56.93 55.51 2bs0 s PHE 7 Cb -0.10 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.77 2bs0 s PHE 7 CO 0.20 -0.79 0.97 0.08 -1.34 0.00 0.00 175.22 174.34 2bs0 s VAL 8 N -3.97 4.54 -0.08 -2.49 1.01 -1.26 -1.49 120.40 116.66 2bs0 s VAL 8 Ca 0.17 1.26 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 2bs0 s VAL 8 Cb 0.02 -4.37 -0.29 0.00 0.00 0.00 0.00 36.38 31.74 2bs0 s VAL 8 CO 0.01 -0.58 0.68 0.25 0.00 0.00 0.00 175.10 175.46 2bs0 h LEU 9 N 10.19 0.46 -8.03 3.92 5.85 -1.18 -3.45 115.31 123.07 2bs0 h LEU 9 Ca -0.23 -0.89 -0.64 0.00 0.84 0.00 0.00 57.88 56.96 2bs0 h LEU 9 Cb 1.07 -0.15 -0.35 0.00 0.37 0.00 0.00 40.66 41.61 2bs0 h LEU 9 CO 1.00 1.58 -0.85 -0.69 -0.34 0.00 0.00 178.44 179.15 2bs0 s VAL 10 N -2.48 1.85 -0.29 1.05 1.01 -0.99 -4.98 120.40 115.57 2bs0 s VAL 10 Ca -0.17 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 2bs0 s VAL 10 Cb 0.04 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2bs0 s VAL 10 CO 0.80 0.51 0.15 -0.62 0.00 0.00 0.00 175.10 175.94 2bs0 s ASP 11 N 1.22 5.65 -0.44 3.32 -1.08 -1.26 -0.67 116.67 123.40 2bs0 s ASP 11 Ca 0.01 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 2bs0 s ASP 11 Cb -0.14 -2.03 0.40 0.00 -1.46 0.00 0.00 42.92 39.69 2bs0 s ASP 11 CO -0.09 -0.11 0.98 0.59 0.52 0.00 0.00 175.17 177.06 2bs0 n ASN 12 N 5.01 3.39 0.00 -0.34 3.02 -1.26 -5.00 115.26 120.08 2bs0 n ASN 12 Ca -0.14 -3.39 0.00 0.00 -0.03 0.00 0.00 54.58 51.01 2bs0 n ASN 12 Cb 0.51 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2bs0 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs0 n GLY 13 N -0.22 1.45 0.18 7.41 0.00 -1.26 -4.05 105.19 108.69 2bs0 n GLY 13 Ca 0.28 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 2bs0 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs0 n GLY 14 N 0.00 -0.27 3.37 -0.02 0.00 -1.26 -4.92 105.19 102.08 2bs0 n GLY 14 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2bs0 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs0 s THR 15 N -2.37 2.58 0.00 2.61 -4.23 -1.26 -4.45 115.64 108.52 2bs0 s THR 15 Ca -0.26 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2bs0 s THR 15 Cb 0.08 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.94 2bs0 s THR 15 CO 0.40 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 2bs0 n GLY 16 N 2.67 0.98 3.75 3.99 0.00 -1.26 -4.79 105.19 110.52 2bs0 n GLY 16 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2bs0 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs0 s ASP 17 N -1.44 7.14 -0.33 1.61 1.11 -1.26 -4.50 116.67 118.99 2bs0 s ASP 17 Ca 0.00 2.26 -0.13 0.00 0.18 0.00 0.00 52.55 54.86 2bs0 s ASP 17 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2bs0 s ASP 17 CO 0.00 -0.30 0.25 -0.69 1.18 0.00 0.00 175.17 175.61 2bs0 s VAL 18 N -0.48 5.28 -0.01 -1.27 1.01 0.16 -4.97 120.40 120.11 2bs0 s VAL 18 Ca 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2bs0 s VAL 18 Cb -0.33 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2bs0 s VAL 18 CO 0.39 0.01 0.08 -0.89 0.00 0.00 0.00 175.10 174.69 2bs0 s THR 19 N 1.76 4.74 -0.03 3.92 2.01 -1.26 -0.56 115.64 126.22 2bs0 s THR 19 Ca 0.07 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2bs0 s THR 19 Cb -0.17 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2bs0 s THR 19 CO 0.11 0.36 -0.17 0.54 -0.69 0.00 0.00 174.62 174.76 2bs0 s VAL 20 N -1.19 1.43 0.10 3.82 0.11 -0.56 -4.23 120.40 119.89 2bs0 s VAL 20 Ca 0.23 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 2bs0 s VAL 20 Cb -0.12 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2bs0 s VAL 20 CO 0.14 0.41 -0.20 0.00 -3.33 0.00 0.00 175.10 172.12 2bs0 s ALA 21 N -0.12 1.73 0.11 1.54 0.00 -0.41 -1.85 121.76 122.76 2bs0 s ALA 21 Ca -0.00 -1.22 -0.35 0.00 0.00 0.00 0.00 51.96 50.38 2bs0 s ALA 21 Cb -0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 23.12 22.64 2bs0 s ALA 21 CO 0.01 0.34 1.49 -2.30 0.00 0.00 0.00 175.76 175.30 2bs0 n PRO 22 N 1.10 1.68 0.00 0.00 -0.02 -1.26 -1.09 135.00 135.40 2bs0 n PRO 22 Ca -0.20 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2bs0 n PRO 22 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2bs0 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bs0 n SER 23 N 3.19 2.93 -3.59 2.55 3.41 0.24 -4.86 113.62 117.49 2bs0 n SER 23 Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 2bs0 n SER 23 Cb 0.24 0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 2bs0 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bs0 s ASN 24 N -1.74 -0.44 -0.28 4.04 3.84 -1.19 -5.02 114.94 114.15 2bs0 s ASN 24 Ca 0.00 0.60 0.20 0.00 0.21 0.00 0.00 52.86 53.87 2bs0 s ASN 24 Cb 0.00 0.53 0.49 0.00 -0.55 0.00 0.00 41.25 41.72 2bs0 s ASN 24 CO 0.00 -0.31 1.09 0.33 -2.79 0.00 0.00 177.10 175.41 2bs0 n PHE 25 N 1.24 1.48 -2.54 0.43 -0.00 -1.26 -0.91 117.46 115.90 2bs0 n PHE 25 Ca -0.12 -2.32 -0.41 0.00 -0.00 0.00 0.00 57.45 54.61 2bs0 n PHE 25 Cb 0.57 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.48 39.74 2bs0 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bs0 s ALA 26 N -3.64 3.36 -1.51 3.13 0.00 -1.22 -3.83 121.76 118.05 2bs0 s ALA 26 Ca 0.30 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2bs0 s ALA 26 Cb 0.36 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 20.15 2bs0 s ALA 26 CO -0.02 -0.18 0.78 0.09 0.00 0.00 0.00 175.76 176.43 2bs0 n ASN 27 N 2.36 -6.19 -0.34 0.00 5.03 -1.26 -1.90 115.26 112.95 2bs0 n ASN 27 Ca 0.02 -0.37 -0.04 0.00 0.87 0.00 0.00 54.58 55.06 2bs0 n ASN 27 Cb 0.46 -4.96 -0.02 0.00 -1.02 0.00 0.00 39.78 34.24 2bs0 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bs0 n GLY 28 N -1.67 0.64 3.22 7.41 0.00 -1.25 -4.97 105.19 108.57 2bs0 n GLY 28 Ca -0.08 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2bs0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs0 s VAL 29 N -1.85 3.50 0.19 1.61 1.01 -0.80 -4.52 120.40 119.55 2bs0 s VAL 29 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2bs0 s VAL 29 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2bs0 s VAL 29 CO 0.00 -0.24 0.98 0.00 0.00 0.00 0.00 175.10 175.84 2bs0 s ALA 30 N 1.32 3.32 -0.02 5.51 0.00 -0.06 -3.45 121.76 128.38 2bs0 s ALA 30 Ca -0.01 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.61 2bs0 s ALA 30 Cb -0.20 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2bs0 s ALA 30 CO 0.01 0.06 -0.07 -2.00 0.00 0.00 0.00 175.76 173.76 2bs0 s GLU 31 N -0.71 0.76 -0.01 0.00 2.12 -0.09 -1.00 118.70 119.77 2bs0 s GLU 31 Ca 0.44 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.63 2bs0 s GLU 31 Cb -0.26 -0.74 -0.02 0.00 0.26 0.00 0.00 34.13 33.37 2bs0 s GLU 31 CO 0.32 0.06 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.28 2bs0 s TRP 32 N 0.29 2.20 0.01 5.30 0.51 0.95 -0.59 118.94 127.62 2bs0 s TRP 32 Ca -0.04 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.54 2bs0 s TRP 32 Cb -0.08 -1.41 -0.01 0.00 -0.81 0.00 0.00 33.47 31.16 2bs0 s TRP 32 CO 0.00 -0.03 -0.06 0.42 -0.51 0.00 0.00 176.95 176.78 2bs0 s ILE 33 N -0.59 0.44 0.78 2.03 -1.09 -0.25 -1.34 121.20 121.18 2bs0 s ILE 33 Ca 0.10 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 57.92 2bs0 s ILE 33 Cb -0.09 -0.42 0.06 0.00 -1.58 0.00 0.00 42.46 40.43 2bs0 s ILE 33 CO -0.01 -0.04 1.14 -0.94 -1.23 0.00 0.00 174.94 173.86 2bs0 s SER 34 N -0.57 4.76 0.95 3.58 1.04 -0.77 -1.29 113.70 121.40 2bs0 s SER 34 Ca -0.02 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 2bs0 s SER 34 Cb -0.04 -1.62 0.17 0.00 0.10 0.00 0.00 66.02 64.62 2bs0 s SER 34 CO -0.00 -1.76 1.21 -0.55 0.98 0.00 0.00 173.24 173.12 2bs0 s SER 35 N -4.37 3.21 0.34 7.02 0.15 -1.26 -4.72 113.70 114.07 2bs0 s SER 35 Ca 0.61 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2bs0 s SER 35 Cb -0.12 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 2bs0 s SER 35 CO 0.51 -2.71 0.00 0.59 1.20 0.00 0.00 173.24 172.83 2bs0 n ASN 36 N -3.81 -1.43 -4.54 5.45 3.02 -1.26 -4.77 115.26 107.91 2bs0 n ASN 36 Ca 0.11 0.00 -0.65 0.00 -0.03 0.00 0.00 54.58 54.01 2bs0 n ASN 36 Cb 0.60 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 2bs0 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2bs0 n SER 37 N -0.77 1.07 -0.00 6.41 7.64 -1.26 -4.77 113.62 121.93 2bs0 n SER 37 Ca 0.00 1.03 0.16 0.00 1.01 0.00 0.00 58.87 61.07 2bs0 n SER 37 Cb 0.00 -0.87 0.62 0.00 -1.01 0.00 0.00 64.21 62.95 2bs0 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2bs0 h ARG 38 N 6.02 0.14 0.00 1.43 9.65 -1.90 0.23 114.38 129.95 2bs0 h ARG 38 Ca -0.34 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.52 2bs0 h ARG 38 Cb 1.36 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2bs0 h ARG 38 CO 1.00 0.09 -0.08 0.66 2.80 0.00 0.00 179.97 184.44 2bs0 h SER 39 N 0.14 0.00 -0.16 -3.80 4.64 -1.86 -2.58 113.55 109.94 2bs0 h SER 39 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2bs0 h SER 39 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2bs0 h SER 39 CO -0.03 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2bs0 n GLN 40 N -3.55 2.58 -2.40 4.77 6.02 0.03 -3.59 117.38 121.24 2bs0 n GLN 40 Ca -0.02 -2.19 -0.31 0.00 -0.01 0.00 0.00 57.00 54.47 2bs0 n GLN 40 Cb 0.20 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 2bs0 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bs0 s ALA 41 N -1.81 3.13 0.28 -1.58 0.00 -0.93 -4.84 121.76 116.01 2bs0 s ALA 41 Ca 0.23 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 2bs0 s ALA 41 Cb 0.17 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2bs0 s ALA 41 CO 0.07 -0.27 0.68 0.71 0.00 0.00 0.00 175.76 176.95 2bs0 s TYR 42 N -2.67 3.43 0.00 0.00 1.51 -1.26 -4.61 117.35 113.74 2bs0 s TYR 42 Ca 0.57 1.14 0.02 0.00 -1.01 0.00 0.00 57.07 57.79 2bs0 s TYR 42 Cb -0.10 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.28 2bs0 s TYR 42 CO 0.35 0.18 -0.08 0.21 -1.11 0.00 0.00 175.55 175.11 2bs0 s LYS 43 N -2.78 0.61 -0.01 -0.62 2.20 -1.02 -1.85 119.74 116.27 2bs0 s LYS 43 Ca 0.50 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2bs0 s LYS 43 Cb -0.11 -0.57 0.02 0.00 -1.51 0.00 0.00 37.83 35.65 2bs0 s LYS 43 CO 0.19 0.15 0.00 0.08 -0.36 0.00 0.00 175.35 175.41 2bs0 s VAL 44 N -0.36 0.09 0.05 4.02 1.01 -0.45 -0.88 120.40 123.88 2bs0 s VAL 44 Ca 0.01 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2bs0 s VAL 44 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2bs0 s VAL 44 CO -0.00 0.08 -0.09 0.42 0.00 0.00 0.00 175.10 175.51 2bs0 s THR 45 N 0.58 0.64 -0.09 3.92 -4.23 -0.32 -0.03 115.64 116.10 2bs0 s THR 45 Ca -0.05 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2bs0 s THR 45 Cb -0.08 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 73.05 2bs0 s THR 45 CO -0.01 -0.38 0.36 0.00 -0.54 0.00 0.00 174.62 174.04 2bs0 s SER 47 N -0.38 -0.56 0.09 0.00 1.04 -1.08 -0.88 113.70 111.93 2bs0 s SER 47 Ca -0.05 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2bs0 s SER 47 Cb -0.03 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2bs0 s SER 47 CO 0.02 -0.78 -0.12 -0.69 0.98 0.00 0.00 173.24 172.65 2bs0 s VAL 48 N -2.52 1.05 -0.05 5.02 1.01 -1.26 -1.09 120.40 122.56 2bs0 s VAL 48 Ca -0.05 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 2bs0 s VAL 48 Cb -0.01 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.21 2bs0 s VAL 48 CO -0.02 -0.42 0.81 0.00 0.00 0.00 0.00 175.10 175.47 2bs0 s ARG 49 N -2.37 0.90 -0.61 2.72 1.70 -0.78 -4.97 118.95 115.54 2bs0 s ARG 49 Ca 0.03 0.02 -0.27 0.00 -0.47 0.00 0.00 55.73 55.04 2bs0 s ARG 49 Cb -0.06 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2bs0 s ARG 49 CO 0.01 -0.32 1.53 -1.14 -1.08 0.00 0.00 175.30 174.30 2bs0 s GLN 50 N -1.86 3.07 0.34 3.89 2.00 -1.26 -0.01 119.66 125.83 2bs0 s GLN 50 Ca -0.04 0.36 0.18 0.00 -2.00 0.00 0.00 55.36 53.87 2bs0 s GLN 50 Cb -0.00 -4.22 0.42 0.00 0.80 0.00 0.00 33.01 30.01 2bs0 s GLN 50 CO 0.01 -2.23 1.61 0.66 -0.50 0.00 0.00 175.29 174.84 2bs0 h SER 51 N 12.05 0.00 -2.50 6.67 4.64 -1.37 -3.48 113.55 129.55 2bs0 h SER 51 Ca -0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2bs0 h SER 51 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2bs0 h SER 51 CO 1.21 0.40 0.11 -1.54 -0.87 0.00 0.00 176.83 176.14 2bs0 n SER 52 N -3.34 -1.33 -0.28 4.97 3.41 -1.00 -4.97 113.62 111.08 2bs0 n SER 52 Ca 0.01 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2bs0 n SER 52 Cb 0.60 2.26 0.20 0.00 -0.26 0.00 0.00 64.21 67.01 2bs0 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs0 h ALA 53 N 1.96 1.41 -0.15 7.33 0.00 -2.03 -3.14 119.26 124.63 2bs0 h ALA 53 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2bs0 h ALA 53 Cb 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bs0 h ALA 53 CO 0.26 0.54 0.00 1.04 0.00 0.00 0.00 179.25 181.10 2bs0 n GLN 54 N -4.41 1.67 -4.49 0.00 6.02 -1.26 -4.95 117.38 109.96 2bs0 n GLN 54 Ca 0.10 -1.51 -0.22 0.00 -0.01 0.00 0.00 57.00 55.36 2bs0 n GLN 54 Cb 0.04 -1.19 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 2bs0 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bs0 s ASN 55 N -0.87 1.98 0.12 1.08 0.01 -1.19 -0.19 114.94 115.89 2bs0 s ASN 55 Ca 0.14 -0.47 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 2bs0 s ASN 55 Cb 0.08 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 2bs0 s ASN 55 CO 0.11 0.09 -0.12 -0.13 -1.51 0.00 0.00 177.10 175.55 2bs0 s ARG 56 N -1.09 2.03 -0.03 -0.60 0.52 -0.72 -1.03 118.95 118.03 2bs0 s ARG 56 Ca 0.04 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2bs0 s ARG 56 Cb -0.08 -2.23 0.03 0.00 0.52 0.00 0.00 34.95 33.19 2bs0 s ARG 56 CO 0.01 0.48 -0.01 0.21 0.02 0.00 0.00 175.30 176.02 2bs0 s LYS 57 N -2.34 0.43 0.06 3.54 2.20 0.99 -1.25 119.74 123.37 2bs0 s LYS 57 Ca 0.21 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 2bs0 s LYS 57 Cb -0.10 -0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2bs0 s LYS 57 CO 0.13 -0.13 0.25 0.71 -0.36 0.00 0.00 175.35 175.95 2bs0 s TYR 58 N 1.04 3.52 -0.29 4.03 1.51 0.26 -1.86 117.35 125.57 2bs0 s TYR 58 Ca -0.10 0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 56.33 2bs0 s TYR 58 Cb -0.14 -1.85 0.09 0.00 -0.11 0.00 0.00 41.96 39.95 2bs0 s TYR 58 CO -0.01 0.57 0.08 0.99 -1.11 0.00 0.00 175.55 176.07 2bs0 s THR 59 N -1.47 0.84 -0.10 -0.71 2.01 -0.25 -1.50 115.64 114.45 2bs0 s THR 59 Ca 0.34 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2bs0 s THR 59 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 2bs0 s THR 59 CO 0.24 -0.59 0.04 -0.63 -0.69 0.00 0.00 174.62 173.00 2bs0 s ILE 60 N 1.65 4.68 0.00 1.82 -1.09 -0.23 -2.64 121.20 125.39 2bs0 s ILE 60 Ca 0.08 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2bs0 s ILE 60 Cb -0.17 -3.00 -0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2bs0 s ILE 60 CO -0.22 0.60 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.54 2bs0 s LYS 61 N -0.85 0.08 0.01 2.79 1.02 -0.28 -0.32 119.74 122.19 2bs0 s LYS 61 Ca 0.13 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.08 2bs0 s LYS 61 Cb -0.12 -0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 2bs0 s LYS 61 CO 0.03 0.01 -0.07 0.08 -0.92 0.00 0.00 175.35 174.47 2bs0 s VAL 62 N -0.10 0.57 -0.12 3.17 1.01 -0.11 -1.17 120.40 123.64 2bs0 s VAL 62 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2bs0 s VAL 62 Cb -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2bs0 s VAL 62 CO -0.00 -0.00 -0.11 -1.61 0.00 0.00 0.00 175.10 173.38 2bs0 s GLU 63 N -0.60 1.86 -0.21 2.72 2.02 -0.06 -0.74 118.70 123.69 2bs0 s GLU 63 Ca -0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 2bs0 s GLU 63 Cb -0.05 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 2bs0 s GLU 63 CO 0.00 -0.23 -0.04 0.08 0.02 0.00 0.00 175.26 175.08 2bs0 s VAL 64 N 1.54 3.41 0.28 2.63 1.01 -0.52 -2.43 120.40 126.33 2bs0 s VAL 64 Ca 0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2bs0 s VAL 64 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2bs0 s VAL 64 CO -0.08 0.43 0.52 -2.16 0.00 0.00 0.00 175.10 173.80 2bs0 s PRO 65 N 1.36 3.59 -0.57 2.72 0.04 -1.26 -0.10 135.00 140.77 2bs0 s PRO 65 Ca 0.04 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 60.88 2bs0 s PRO 65 Cb -0.14 -2.69 0.15 0.00 0.04 0.00 0.00 34.50 31.85 2bs0 s PRO 65 CO -0.02 0.25 0.45 0.21 0.04 0.00 0.00 177.00 177.92 2bs0 s LYS 66 N -3.60 2.72 0.26 4.56 2.47 -0.41 -4.97 119.74 120.77 2bs0 s LYS 66 Ca 0.42 -2.06 -0.31 0.00 -1.56 0.00 0.00 55.97 52.47 2bs0 s LYS 66 Cb -0.11 -3.99 -0.13 0.00 -1.46 0.00 0.00 37.83 32.15 2bs0 s LYS 66 CO 0.31 -1.21 1.44 0.28 0.16 0.00 0.00 175.35 176.32 2bs0 n VAL 67 N 4.44 1.02 -3.83 4.02 0.31 -1.26 -0.11 118.33 122.93 2bs0 n VAL 67 Ca -0.01 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 64.00 2bs0 n VAL 67 Cb 0.41 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 2bs0 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs0 s ALA 68 N -0.10 -1.25 -0.12 3.52 0.00 -0.65 -4.73 121.76 118.42 2bs0 s ALA 68 Ca 0.67 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2bs0 s ALA 68 Cb -0.61 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2bs0 s ALA 68 CO 0.50 -1.03 -0.16 0.99 0.00 0.00 0.00 175.76 176.05 2bs0 s THR 69 N -3.33 2.73 -0.18 0.00 2.01 -1.26 -1.74 115.64 113.86 2bs0 s THR 69 Ca 0.13 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 2bs0 s THR 69 Cb -0.05 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2bs0 s THR 69 CO 0.07 0.53 0.04 -1.58 -0.69 0.00 0.00 174.62 172.99 2bs0 s GLN 70 N 0.40 3.88 -0.16 4.92 0.74 -0.55 -4.94 119.66 123.95 2bs0 s GLN 70 Ca -0.13 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 54.90 2bs0 s GLN 70 Cb -0.16 -3.15 0.02 0.00 1.10 0.00 0.00 33.01 30.81 2bs0 s GLN 70 CO 0.06 0.23 -0.17 0.99 -0.55 0.00 0.00 175.29 175.85 2bs0 s THR 71 N 0.47 1.77 -0.05 -0.34 2.01 -1.26 -0.67 115.64 117.57 2bs0 s THR 71 Ca 0.02 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2bs0 s THR 71 Cb -0.13 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.78 2bs0 s THR 71 CO 0.01 0.49 0.00 -0.69 -0.69 0.00 0.00 174.62 173.75 2bs0 s VAL 72 N 1.35 0.26 -1.71 3.82 1.01 -0.51 -4.78 120.40 119.84 2bs0 s VAL 72 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2bs0 s VAL 72 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2bs0 s VAL 72 CO -0.11 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2bs0 n GLY 73 N 4.73 1.15 1.96 4.51 0.00 -1.26 -1.42 105.19 114.87 2bs0 n GLY 73 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2bs0 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs0 n GLY 74 N -0.92 1.17 3.60 -0.02 0.00 -1.26 -5.02 105.19 102.74 2bs0 n GLY 74 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2bs0 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs0 s VAL 75 N -3.11 5.20 0.00 1.61 1.01 -0.50 -5.09 120.40 119.53 2bs0 s VAL 75 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2bs0 s VAL 75 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2bs0 s VAL 75 CO 0.00 0.30 0.01 -1.83 0.00 0.00 0.00 175.10 173.58 2bs0 s GLU 76 N 1.46 2.82 0.05 2.72 -1.05 -1.26 -1.42 118.70 122.02 2bs0 s GLU 76 Ca 0.07 -0.60 0.03 0.00 -0.15 0.00 0.00 54.97 54.31 2bs0 s GLU 76 Cb -0.15 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 2bs0 s GLU 76 CO 0.08 0.62 -0.08 -0.51 0.95 0.00 0.00 175.26 176.32 2bs0 s LEU 77 N -1.63 2.27 -0.16 1.83 1.43 0.15 -4.96 118.68 117.61 2bs0 s LEU 77 Ca 0.20 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 2bs0 s LEU 77 Cb -0.12 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 2bs0 s LEU 77 CO 0.11 -0.20 1.12 -2.84 0.23 0.00 0.00 176.35 174.77 2bs0 s PRO 78 N -1.69 4.30 0.33 1.29 0.02 -1.26 -1.48 135.00 136.50 2bs0 s PRO 78 Ca -0.08 1.49 0.07 0.00 0.02 0.00 0.00 61.00 62.50 2bs0 s PRO 78 Cb -0.09 -3.64 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 2bs0 s PRO 78 CO 0.00 -0.56 0.29 0.14 -0.33 0.00 0.00 177.00 176.54 2bs0 s VAL 79 N 2.89 0.00 -0.27 3.83 -7.23 -0.71 -4.70 120.40 114.21 2bs0 s VAL 79 Ca 0.49 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2bs0 s VAL 79 Cb -0.19 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2bs0 s VAL 79 CO 0.13 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.98 2bs0 s ALA 80 N -3.42 3.07 0.33 1.32 0.00 -1.24 -1.64 121.76 120.18 2bs0 s ALA 80 Ca 0.40 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2bs0 s ALA 80 Cb 0.02 -2.06 0.74 0.00 0.00 0.00 0.00 23.12 21.81 2bs0 s ALA 80 CO 0.28 -0.69 1.86 0.00 0.00 0.00 0.00 175.76 177.20 2bs0 h ALA 81 N 8.22 1.73 -2.33 0.00 0.00 -0.80 -3.45 119.26 122.63 2bs0 h ALA 81 Ca -0.36 0.02 0.19 0.00 0.00 0.00 0.00 54.91 54.76 2bs0 h ALA 81 Cb 1.15 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2bs0 h ALA 81 CO 0.59 0.02 0.57 1.67 0.00 0.00 0.00 179.25 182.10 2bs0 s TRP 82 N -5.77 -0.03 0.06 0.00 1.48 -1.26 -5.02 118.94 108.41 2bs0 s TRP 82 Ca -0.11 -0.29 0.03 0.00 -1.06 0.00 0.00 56.10 54.68 2bs0 s TRP 82 Cb 0.22 0.66 -0.03 0.00 -1.16 0.00 0.00 33.47 33.16 2bs0 s TRP 82 CO 0.79 -0.81 -0.10 1.03 -4.06 0.00 0.00 176.95 173.81 2bs0 s ARG 83 N -2.72 0.69 -0.16 3.25 0.52 -1.26 -1.29 118.95 117.98 2bs0 s ARG 83 Ca 0.17 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2bs0 s ARG 83 Cb -0.01 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.94 2bs0 s ARG 83 CO 0.03 0.09 0.01 0.45 0.02 0.00 0.00 175.30 175.89 2bs0 s SER 84 N -1.88 5.16 -0.17 0.23 0.15 0.85 -4.96 113.70 113.09 2bs0 s SER 84 Ca -0.04 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 2bs0 s SER 84 Cb -0.08 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2bs0 s SER 84 CO 0.01 0.18 -0.11 -0.31 1.20 0.00 0.00 173.24 174.21 2bs0 s TYR 85 N 0.31 2.86 -0.11 3.44 1.51 -1.26 -1.43 117.35 122.66 2bs0 s TYR 85 Ca -0.01 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 2bs0 s TYR 85 Cb -0.13 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2bs0 s TYR 85 CO 0.02 -0.43 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.74 2bs0 s LEU 86 N 0.90 2.82 -0.04 -1.29 2.96 0.08 -5.01 118.68 119.11 2bs0 s LEU 86 Ca -0.03 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2bs0 s LEU 86 Cb -0.15 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.95 2bs0 s LEU 86 CO -0.00 0.22 0.06 0.00 -1.32 0.00 0.00 176.35 175.31 2bs0 s ALA 87 N 0.01 0.13 0.05 5.97 0.00 -1.26 -0.94 121.76 125.72 2bs0 s ALA 87 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2bs0 s ALA 87 Cb -0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2bs0 s ALA 87 CO 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 175.76 175.29 2bs0 s MET 88 N 1.82 0.89 -0.11 0.00 0.23 0.57 -5.01 119.30 117.70 2bs0 s MET 88 Ca 0.00 -0.82 0.04 0.00 -1.03 0.00 0.00 55.69 53.88 2bs0 s MET 88 Cb -0.12 -0.90 0.00 0.00 -1.53 0.00 0.00 34.83 32.27 2bs0 s MET 88 CO -0.03 0.22 -0.24 0.15 -2.03 0.00 0.00 175.02 173.09 2bs0 s LYS 89 N -1.34 3.05 -0.20 3.16 -0.14 -1.26 -1.07 119.74 121.95 2bs0 s LYS 89 Ca 0.00 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 2bs0 s LYS 89 Cb -0.09 -2.33 0.05 0.00 -1.68 0.00 0.00 37.83 33.79 2bs0 s LYS 89 CO 0.02 0.15 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.52 2bs0 s LEU 90 N 0.42 2.05 -0.23 3.17 2.96 -0.56 -4.96 118.68 121.53 2bs0 s LEU 90 Ca -0.17 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 52.77 2bs0 s LEU 90 Cb -0.18 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2bs0 s LEU 90 CO 0.07 -0.19 0.13 -0.89 -1.32 0.00 0.00 176.35 174.15 2bs0 s THR 91 N 1.51 5.11 -0.10 3.68 2.01 -1.26 -0.57 115.64 126.02 2bs0 s THR 91 Ca -0.02 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2bs0 s THR 91 Cb -0.17 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.00 2bs0 s THR 91 CO -0.07 0.37 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.54 2bs0 s ILE 92 N 0.98 0.84 0.58 1.82 1.01 -0.38 -4.98 121.20 121.06 2bs0 s ILE 92 Ca 0.06 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 2bs0 s ILE 92 Cb -0.13 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2bs0 s ILE 92 CO 0.04 0.34 1.12 -2.65 0.00 0.00 0.00 174.94 173.78 2bs0 n PRO 93 N 4.99 1.18 0.00 2.79 -0.02 -1.26 -1.75 135.00 140.93 2bs0 n PRO 93 Ca -0.11 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 2bs0 n PRO 93 Cb 0.50 -2.31 0.35 0.00 -0.02 0.00 0.00 33.50 32.02 2bs0 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bs0 n ILE 94 N -1.45 0.37 0.86 4.25 -5.35 0.74 -2.11 119.36 116.67 2bs0 n ILE 94 Ca 0.13 0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.82 2bs0 n ILE 94 Cb 0.46 -0.89 0.27 0.00 -1.74 0.00 0.00 39.64 37.74 2bs0 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bs0 n PHE 95 N -1.16 0.18 -1.96 4.28 3.72 -1.26 -4.89 117.46 116.37 2bs0 n PHE 95 Ca 0.08 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 2bs0 n PHE 95 Cb 0.08 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.18 2bs0 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bs0 s ALA 96 N -3.05 3.72 0.78 4.37 0.00 -0.90 -5.01 121.76 121.67 2bs0 s ALA 96 Ca 0.10 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 2bs0 s ALA 96 Cb 0.16 -3.65 0.13 0.00 0.00 0.00 0.00 23.12 19.77 2bs0 s ALA 96 CO 0.69 -0.91 1.08 0.95 0.00 0.00 0.00 175.76 177.57 2bs0 s THR 97 N 1.79 2.14 0.39 0.00 -4.23 -1.26 -4.87 115.64 109.60 2bs0 s THR 97 Ca 0.71 -0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.89 2bs0 s THR 97 Cb -0.41 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 70.91 2bs0 s THR 97 CO 0.31 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 177.18 2bs0 h ASN 98 N -0.82 0.45 -0.43 3.99 4.21 -1.99 -1.75 115.58 119.24 2bs0 h ASN 98 Ca -0.40 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.02 2bs0 h ASN 98 Cb 1.27 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.33 2bs0 h ASN 98 CO 0.43 0.40 0.04 0.28 -1.29 0.00 0.00 177.43 177.28 2bs0 h SER 99 N 0.51 0.71 -0.92 5.81 0.02 -1.99 -0.90 113.55 116.78 2bs0 h SER 99 Ca 0.13 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2bs0 h SER 99 Cb 0.07 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2bs0 h SER 99 CO -0.02 0.82 0.57 0.44 -1.14 0.00 0.00 176.83 177.50 2bs0 h ASP 100 N 0.58 1.10 -0.01 3.07 3.32 -1.75 -1.79 116.42 120.93 2bs0 h ASP 100 Ca 0.13 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 2bs0 h ASP 100 Cb 0.43 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2bs0 h ASP 100 CO 0.01 0.83 -0.40 0.00 -1.72 0.00 0.00 179.24 177.97 2bs0 h GLU 102 N 0.44 0.43 -0.32 0.00 5.08 -0.71 -1.72 114.58 117.77 2bs0 h GLU 102 Ca 0.04 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2bs0 h GLU 102 Cb 0.88 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2bs0 h GLU 102 CO 0.08 0.53 -0.23 1.25 -1.00 0.00 0.00 179.01 179.63 2bs0 h LEU 103 N 0.40 0.76 -0.77 1.33 5.85 -0.98 -1.88 115.31 120.02 2bs0 h LEU 103 Ca 0.08 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2bs0 h LEU 103 Cb 0.42 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2bs0 h LEU 103 CO 0.02 1.04 0.51 0.40 -0.34 0.00 0.00 178.44 180.07 2bs0 h ILE 104 N 0.49 1.19 -0.36 4.05 2.04 -0.93 -1.21 117.51 122.78 2bs0 h ILE 104 Ca 0.06 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2bs0 h ILE 104 Cb 0.79 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2bs0 h ILE 104 CO 0.06 0.19 0.11 0.58 0.00 0.00 0.00 178.15 179.09 2bs0 h VAL 105 N 1.04 1.21 -0.64 1.67 2.07 -1.21 -2.04 116.25 118.35 2bs0 h VAL 105 Ca 0.29 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2bs0 h VAL 105 Cb -0.11 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2bs0 h VAL 105 CO -0.06 0.24 0.42 0.11 0.02 0.00 0.00 177.57 178.30 2bs0 h LYS 106 N 0.43 0.76 -0.65 1.57 1.57 -0.92 -0.40 116.57 118.93 2bs0 h LYS 106 Ca 0.12 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2bs0 h LYS 106 Cb 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2bs0 h LYS 106 CO -0.00 0.51 0.19 0.00 -0.57 0.00 0.00 179.45 179.57 2bs0 h ALA 107 N 1.62 0.86 -0.32 3.86 0.00 -0.79 -0.54 119.26 123.94 2bs0 h ALA 107 Ca 0.25 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2bs0 h ALA 107 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2bs0 h ALA 107 CO -0.07 0.55 -0.24 0.52 0.00 0.00 0.00 179.25 180.01 2bs0 h MET 108 N 0.96 0.63 -0.34 0.00 2.86 -0.54 -1.71 114.93 116.80 2bs0 h MET 108 Ca 0.21 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2bs0 h MET 108 Cb 0.32 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2bs0 h MET 108 CO -0.00 0.82 -0.28 1.96 1.06 0.00 0.00 176.91 180.46 2bs0 h GLN 109 N 0.56 0.79 -0.41 1.72 4.20 -0.81 -3.10 115.11 118.05 2bs0 h GLN 109 Ca 0.08 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 2bs0 h GLN 109 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2bs0 h GLN 109 CO 0.05 1.03 -0.06 0.78 -0.67 0.00 0.00 178.83 179.96 2bs0 h GLY 110 N 0.58 0.76 1.18 3.46 0.00 -0.98 -1.61 103.07 106.45 2bs0 h GLY 110 Ca 0.06 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 46.94 2bs0 h GLY 110 CO 0.07 0.48 0.38 -2.00 0.00 0.00 0.00 176.54 175.47 2bs0 h LEU 111 N 0.65 0.41 -2.88 3.11 5.85 -1.24 -2.72 115.31 118.50 2bs0 h LEU 111 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2bs0 h LEU 111 Cb 0.49 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2bs0 h LEU 111 CO 0.03 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.57 2bs0 n LEU 112 N -4.47 3.15 -4.77 2.25 4.77 -0.96 -4.16 117.00 112.82 2bs0 n LEU 112 Ca 0.08 -2.04 -0.40 0.00 -0.03 0.00 0.00 56.01 53.62 2bs0 n LEU 112 Cb 0.28 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2bs0 n LEU 112 CO 0.34 0.77 0.96 -0.75 -1.33 0.00 0.00 177.39 177.38 2bs0 s LYS 113 N -1.08 4.16 0.16 3.23 2.20 -0.65 -4.80 119.74 122.97 2bs0 s LYS 113 Ca 0.28 2.15 -0.34 0.00 -0.36 0.00 0.00 55.97 57.71 2bs0 s LYS 113 Cb 0.15 -2.90 -0.15 0.00 -1.51 0.00 0.00 37.83 33.43 2bs0 s LYS 113 CO 0.18 -0.33 1.44 -0.25 -0.36 0.00 0.00 175.35 176.04 2bs0 n ASP 114 N 0.44 2.50 0.00 1.43 8.00 -1.26 -1.96 116.55 125.70 2bs0 n ASP 114 Ca 0.02 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.63 2bs0 n ASP 114 Cb 0.43 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2bs0 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs0 n GLY 115 N 2.79 3.18 3.87 0.44 0.00 -1.26 -5.07 105.19 109.14 2bs0 n GLY 115 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2bs0 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bs0 s ASN 116 N -0.41 6.15 0.03 1.61 0.01 -0.83 -4.90 114.94 116.59 2bs0 s ASN 116 Ca 0.00 1.40 -0.06 0.00 -0.71 0.00 0.00 52.86 53.49 2bs0 s ASN 116 Cb 0.00 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 2bs0 s ASN 116 CO 0.00 -0.92 1.10 -0.65 -1.51 0.00 0.00 177.10 175.12 2bs0 h PRO 117 N -0.35 -0.03 0.13 -0.60 0.11 -1.89 -2.47 132.00 126.89 2bs0 h PRO 117 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 2bs0 h PRO 117 Cb 1.20 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2bs0 h PRO 117 CO 0.62 -0.02 -0.37 0.82 -0.21 0.00 0.00 178.00 178.84 2bs0 h ILE 118 N -0.03 0.23 -0.21 4.15 5.03 -1.96 -0.85 117.51 123.88 2bs0 h ILE 118 Ca 0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.76 2bs0 h ILE 118 Cb 0.09 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.10 2bs0 h ILE 118 CO -0.15 0.00 0.11 1.55 -0.68 0.00 0.00 178.15 178.98 2bs0 h PRO 119 N -0.61 0.28 -0.08 2.37 0.13 -1.72 -2.18 132.00 130.19 2bs0 h PRO 119 Ca 0.03 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2bs0 h PRO 119 Cb 0.64 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2bs0 h PRO 119 CO -0.22 0.21 -0.68 0.77 -0.23 0.00 0.00 178.00 177.85 2bs0 h SER 120 N 0.28 0.43 -0.08 1.44 0.02 -1.03 -2.08 113.55 112.53 2bs0 h SER 120 Ca 0.07 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2bs0 h SER 120 Cb 0.02 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2bs0 h SER 120 CO -0.01 0.99 -0.05 0.00 -1.14 0.00 0.00 176.83 176.61 2bs0 h ALA 121 N 1.01 0.12 -0.46 3.77 0.00 -0.69 -2.80 119.26 120.21 2bs0 h ALA 121 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2bs0 h ALA 121 Cb 1.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2bs0 h ALA 121 CO 0.11 -0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.34 2bs0 h ILE 122 N -0.20 1.01 0.00 0.00 2.04 -1.43 0.13 117.51 119.06 2bs0 h ILE 122 Ca 0.02 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2bs0 h ILE 122 Cb 0.52 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2bs0 h ILE 122 CO 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 2bs0 h ALA 123 N 1.22 1.02 -0.28 1.87 0.00 -1.38 -2.62 119.26 119.10 2bs0 h ALA 123 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2bs0 h ALA 123 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bs0 h ALA 123 CO -0.11 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2bs0 n ALA 124 N -2.10 3.12 -2.74 0.00 0.00 -0.80 -4.95 120.51 113.04 2bs0 n ALA 124 Ca -0.02 -2.34 -0.19 0.00 0.00 0.00 0.00 53.44 50.89 2bs0 n ALA 124 Cb 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2bs0 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bs0 n ASN 125 N -0.50 -4.99 -4.61 0.00 3.02 -0.99 -4.95 115.26 102.23 2bs0 n ASN 125 Ca 0.23 -0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 2bs0 n ASN 125 Cb 0.92 -4.14 -0.08 0.00 -0.61 0.00 0.00 39.78 35.88 2bs0 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bs0 s SER 126 N -2.33 3.82 0.00 6.41 0.01 0.39 -5.03 113.70 116.98 2bs0 s SER 126 Ca 0.15 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2bs0 s SER 126 Cb -0.07 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2bs0 s SER 126 CO 0.18 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2bs0 n GLY 127 N -1.17 6.16 3.81 3.44 0.00 -1.26 -4.17 105.19 111.99 2bs0 n GLY 127 Ca -0.16 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 2bs0 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs0 s ILE 128 N 1.44 4.92 0.00 -0.61 -1.09 -1.26 -4.81 121.20 119.79 2bs0 s ILE 128 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2bs0 s ILE 128 Cb 0.00 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2bs0 s ILE 128 CO 0.00 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.25