#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bu1 s SER 2 N 0.00 -0.56 0.00 0.00 0.15 -1.26 -5.01 113.70 107.02 2bu1 s SER 2 Ca 0.00 0.99 0.06 0.00 0.70 0.00 0.00 55.95 57.69 2bu1 s SER 2 Cb 0.00 0.97 0.11 0.00 -1.71 0.00 0.00 66.02 65.39 2bu1 s SER 2 CO 0.00 -0.25 0.93 -0.46 1.20 0.00 0.00 173.24 174.66 2bu1 n ASN 3 N 2.07 2.04 -3.87 5.45 0.23 -1.26 -4.71 115.26 115.21 2bu1 n ASN 3 Ca -0.13 -1.66 -0.42 0.00 -0.53 0.00 0.00 54.58 51.83 2bu1 n ASN 3 Cb 0.56 -0.07 0.01 0.00 -2.08 0.00 0.00 39.78 38.20 2bu1 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2bu1 n PHE 4 N 0.15 2.67 -4.57 -2.53 7.35 -1.26 -4.92 117.46 114.35 2bu1 n PHE 4 Ca 0.05 -2.71 -0.27 0.00 -0.76 0.00 0.00 57.45 53.76 2bu1 n PHE 4 Cb 0.25 -1.70 -0.08 0.00 0.35 0.00 0.00 39.48 38.30 2bu1 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bu1 s THR 5 N -0.87 0.83 0.33 -2.13 -4.23 -1.26 -4.84 115.64 103.48 2bu1 s THR 5 Ca 0.38 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.61 2bu1 s THR 5 Cb 0.09 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 2bu1 s THR 5 CO 0.03 0.00 1.12 -1.58 -0.54 0.00 0.00 174.62 173.64 2bu1 s GLN 6 N -3.77 4.42 0.12 3.99 0.74 -1.26 -4.55 119.66 119.35 2bu1 s GLN 6 Ca 0.21 1.78 -0.17 0.00 0.05 0.00 0.00 55.36 57.23 2bu1 s GLN 6 Cb 0.03 -2.96 0.04 0.00 1.10 0.00 0.00 33.01 31.22 2bu1 s GLN 6 CO 0.12 0.02 0.43 -0.59 -0.55 0.00 0.00 175.29 174.72 2bu1 s PHE 7 N -1.30 -0.26 -0.34 1.67 -0.12 -0.84 -5.01 117.98 111.79 2bu1 s PHE 7 Ca 0.50 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 57.10 2bu1 s PHE 7 Cb -0.30 0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2bu1 s PHE 7 CO 0.39 -0.71 1.00 0.08 -0.05 0.00 0.00 175.22 175.94 2bu1 s VAL 8 N -3.63 4.55 -0.08 -2.49 1.01 -1.26 -1.52 120.40 116.98 2bu1 s VAL 8 Ca 0.02 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 2bu1 s VAL 8 Cb 0.01 -4.37 -0.29 0.00 0.00 0.00 0.00 36.38 31.73 2bu1 s VAL 8 CO -0.11 -0.49 0.63 0.25 0.00 0.00 0.00 175.10 175.38 2bu1 h LEU 9 N 10.06 0.47 -8.02 3.92 5.85 -1.32 -3.45 115.31 122.82 2bu1 h LEU 9 Ca -0.22 -0.89 -0.65 0.00 0.84 0.00 0.00 57.88 56.96 2bu1 h LEU 9 Cb 1.07 -0.15 -0.35 0.00 0.37 0.00 0.00 40.66 41.60 2bu1 h LEU 9 CO 1.01 1.64 -0.85 -0.69 -0.34 0.00 0.00 178.44 179.20 2bu1 s VAL 10 N -2.50 1.94 -0.53 1.05 1.01 -1.02 -4.99 120.40 115.35 2bu1 s VAL 10 Ca -0.18 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 2bu1 s VAL 10 Cb 0.04 -1.76 0.12 0.00 0.00 0.00 0.00 36.38 34.79 2bu1 s VAL 10 CO 0.80 0.52 0.48 -0.62 0.00 0.00 0.00 175.10 176.28 2bu1 s ASP 11 N 1.31 6.15 -0.61 3.32 -1.08 -1.26 -1.29 116.67 123.21 2bu1 s ASP 11 Ca 0.04 -1.76 0.01 0.00 -0.52 0.00 0.00 52.55 50.33 2bu1 s ASP 11 Cb -0.13 -2.19 0.41 0.00 -1.46 0.00 0.00 42.92 39.55 2bu1 s ASP 11 CO -0.12 -0.83 1.70 0.59 0.52 0.00 0.00 175.17 177.03 2bu1 n ASN 12 N 5.22 6.55 0.00 -0.34 3.02 -1.26 -5.03 115.26 123.42 2bu1 n ASN 12 Ca -0.13 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.63 2bu1 n ASN 12 Cb 0.40 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2bu1 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bu1 n GLY 13 N -0.67 0.63 0.01 7.41 0.00 -1.26 -3.98 105.19 107.33 2bu1 n GLY 13 Ca 0.52 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.54 2bu1 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bu1 n GLY 14 N 0.00 -0.64 2.94 -0.02 0.00 -1.26 -4.83 105.19 101.39 2bu1 n GLY 14 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2bu1 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bu1 s THR 15 N -2.94 1.09 0.00 2.61 -4.23 -1.26 -4.58 115.64 106.33 2bu1 s THR 15 Ca -0.04 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2bu1 s THR 15 Cb 0.10 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.86 2bu1 s THR 15 CO 0.61 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 2bu1 n GLY 16 N 4.65 0.92 3.77 3.99 0.00 -1.26 -4.84 105.19 112.41 2bu1 n GLY 16 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2bu1 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bu1 s ASP 17 N -1.31 6.01 -0.34 1.61 1.01 -1.26 -4.63 116.67 117.75 2bu1 s ASP 17 Ca 0.00 2.85 -0.11 0.00 0.71 0.00 0.00 52.55 56.00 2bu1 s ASP 17 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2bu1 s ASP 17 CO 0.00 -1.08 0.19 -0.69 0.21 0.00 0.00 175.17 173.80 2bu1 s VAL 18 N -1.22 4.66 -0.09 -1.27 1.01 -0.41 -4.99 120.40 118.09 2bu1 s VAL 18 Ca 0.60 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2bu1 s VAL 18 Cb -0.42 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2bu1 s VAL 18 CO 0.54 -0.08 0.07 -0.89 0.00 0.00 0.00 175.10 174.74 2bu1 s THR 19 N 1.60 4.89 -0.06 3.92 2.01 -1.26 -0.81 115.64 125.93 2bu1 s THR 19 Ca 0.04 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.03 2bu1 s THR 19 Cb -0.18 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2bu1 s THR 19 CO 0.07 0.58 -0.25 0.54 -0.69 0.00 0.00 174.62 174.87 2bu1 s VAL 20 N -0.99 2.01 0.15 3.82 0.11 -0.57 -4.23 120.40 120.69 2bu1 s VAL 20 Ca 0.15 -1.04 0.10 0.00 -2.93 0.00 0.00 61.98 58.26 2bu1 s VAL 20 Cb -0.12 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 2bu1 s VAL 20 CO 0.05 0.56 -0.24 0.00 -3.33 0.00 0.00 175.10 172.14 2bu1 s ALA 21 N -0.15 2.25 0.42 1.54 0.00 -0.46 -1.98 121.76 123.39 2bu1 s ALA 21 Ca -0.04 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 2bu1 s ALA 21 Cb -0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 2bu1 s ALA 21 CO 0.04 0.43 1.04 -2.30 0.00 0.00 0.00 175.76 174.97 2bu1 n PRO 22 N 0.68 1.41 0.00 0.00 -0.02 -1.26 -0.60 135.00 135.21 2bu1 n PRO 22 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2bu1 n PRO 22 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2bu1 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bu1 n SER 23 N 0.49 0.48 -3.73 2.55 3.41 -0.62 -4.77 113.62 111.43 2bu1 n SER 23 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 2bu1 n SER 23 Cb 0.39 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 2bu1 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bu1 s ASN 24 N -3.85 -0.21 -0.36 4.04 3.04 -1.22 -5.04 114.94 111.33 2bu1 s ASN 24 Ca 0.00 0.05 0.14 0.00 0.04 0.00 0.00 52.86 53.08 2bu1 s ASN 24 Cb 0.00 0.35 0.40 0.00 -1.54 0.00 0.00 41.25 40.46 2bu1 s ASN 24 CO 0.00 -0.52 0.96 0.33 -3.04 0.00 0.00 177.10 174.83 2bu1 n PHE 25 N 1.00 -0.08 -3.50 0.43 -0.00 -1.26 -1.15 117.46 112.90 2bu1 n PHE 25 Ca -0.20 -2.92 -0.38 0.00 -0.00 0.00 0.00 57.45 53.95 2bu1 n PHE 25 Cb 0.57 0.10 -0.06 0.00 -0.00 0.00 0.00 39.48 40.09 2bu1 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bu1 s ALA 26 N -2.09 3.69 -1.47 3.13 0.00 -1.23 -4.44 121.76 119.35 2bu1 s ALA 26 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 2bu1 s ALA 26 Cb 0.40 -2.39 0.06 0.00 0.00 0.00 0.00 23.12 21.19 2bu1 s ALA 26 CO -0.03 0.49 0.75 0.09 0.00 0.00 0.00 175.76 177.06 2bu1 n ASN 27 N 1.68 -2.59 0.00 0.00 4.13 -1.26 -2.13 115.26 115.09 2bu1 n ASN 27 Ca -0.13 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.25 2bu1 n ASN 27 Cb 0.52 -3.56 0.00 0.00 -1.54 0.00 0.00 39.78 35.20 2bu1 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bu1 n GLY 28 N -1.68 0.35 3.18 7.41 0.00 -1.26 -4.98 105.19 108.21 2bu1 n GLY 28 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2bu1 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bu1 s VAL 29 N -1.84 3.48 0.22 1.61 1.01 -0.91 -4.43 120.40 119.55 2bu1 s VAL 29 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.05 2bu1 s VAL 29 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2bu1 s VAL 29 CO 0.00 -0.44 0.99 0.00 0.00 0.00 0.00 175.10 175.65 2bu1 s ALA 30 N 1.26 3.34 -0.01 5.51 0.00 0.16 -3.57 121.76 128.45 2bu1 s ALA 30 Ca 0.03 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2bu1 s ALA 30 Cb -0.22 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 2bu1 s ALA 30 CO -0.01 0.06 -0.07 -2.00 0.00 0.00 0.00 175.76 173.73 2bu1 s GLU 31 N -0.99 0.70 -0.00 0.00 2.12 -0.30 -0.77 118.70 119.46 2bu1 s GLU 31 Ca 0.43 -0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2bu1 s GLU 31 Cb -0.27 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.43 2bu1 s GLU 31 CO 0.34 0.12 -0.22 -1.58 -0.54 0.00 0.00 175.26 173.38 2bu1 s TRP 32 N 0.03 1.96 0.00 5.30 0.51 0.50 -1.59 118.94 125.65 2bu1 s TRP 32 Ca -0.00 -0.37 0.01 0.00 -2.12 0.00 0.00 56.10 53.61 2bu1 s TRP 32 Cb -0.05 -1.24 -0.00 0.00 -0.81 0.00 0.00 33.47 31.36 2bu1 s TRP 32 CO -0.00 -0.01 -0.03 0.42 -0.51 0.00 0.00 176.95 176.82 2bu1 s ILE 33 N -0.57 0.22 0.85 2.03 -1.09 0.23 -1.32 121.20 121.55 2bu1 s ILE 33 Ca 0.08 -0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 2bu1 s ILE 33 Cb -0.09 -0.20 0.10 0.00 -1.58 0.00 0.00 42.46 40.70 2bu1 s ILE 33 CO -0.00 0.02 1.15 -0.94 -1.23 0.00 0.00 174.94 173.94 2bu1 s SER 34 N -0.16 4.05 0.95 3.58 1.04 -0.73 -1.35 113.70 121.07 2bu1 s SER 34 Ca 0.00 0.94 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 2bu1 s SER 34 Cb -0.02 -1.51 0.17 0.00 0.10 0.00 0.00 66.02 64.76 2bu1 s SER 34 CO -0.00 -2.21 1.18 -0.55 0.98 0.00 0.00 173.24 172.64 2bu1 s SER 35 N -4.23 3.16 0.31 7.02 0.15 -1.26 -4.74 113.70 114.11 2bu1 s SER 35 Ca 0.63 0.75 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2bu1 s SER 35 Cb -0.13 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2bu1 s SER 35 CO 0.52 -2.75 0.00 0.59 1.20 0.00 0.00 173.24 172.80 2bu1 n ASN 36 N -3.86 -1.31 -4.60 5.45 3.02 -1.26 -4.79 115.26 107.91 2bu1 n ASN 36 Ca 0.09 0.00 -0.61 0.00 -0.03 0.00 0.00 54.58 54.04 2bu1 n ASN 36 Cb 0.60 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 2bu1 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2bu1 n SER 37 N -0.65 0.78 0.17 6.41 7.64 -1.26 -4.81 113.62 121.89 2bu1 n SER 37 Ca 0.00 1.16 0.05 0.00 1.01 0.00 0.00 58.87 61.08 2bu1 n SER 37 Cb 0.00 -0.96 0.49 0.00 -1.01 0.00 0.00 64.21 62.73 2bu1 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2bu1 h ARG 38 N 4.17 0.16 0.00 1.43 9.65 -1.91 -1.96 114.38 125.91 2bu1 h ARG 38 Ca -0.48 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.35 2bu1 h ARG 38 Cb 1.39 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.94 2bu1 h ARG 38 CO 0.79 0.23 -0.14 0.66 2.80 0.00 0.00 179.97 184.30 2bu1 h SER 39 N 0.15 0.00 -0.25 -3.80 4.64 -1.87 -2.86 113.55 109.57 2bu1 h SER 39 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2bu1 h SER 39 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2bu1 h SER 39 CO 0.01 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 2bu1 n GLN 40 N -3.66 2.75 -2.61 4.77 6.02 -0.79 -3.71 117.38 120.16 2bu1 n GLN 40 Ca -0.02 -1.87 -0.31 0.00 -0.01 0.00 0.00 57.00 54.80 2bu1 n GLN 40 Cb 0.27 -1.20 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2bu1 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bu1 s ALA 41 N -0.98 3.20 0.28 -1.58 0.00 -0.90 -4.82 121.76 116.96 2bu1 s ALA 41 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 2bu1 s ALA 41 Cb 0.09 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 2bu1 s ALA 41 CO 0.12 -0.14 0.81 0.71 0.00 0.00 0.00 175.76 177.26 2bu1 s TYR 42 N -2.51 3.60 0.00 0.00 1.51 -1.26 -4.66 117.35 114.02 2bu1 s TYR 42 Ca 0.55 1.50 0.03 0.00 -1.01 0.00 0.00 57.07 58.14 2bu1 s TYR 42 Cb -0.10 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 2bu1 s TYR 42 CO 0.32 0.23 -0.09 0.21 -1.11 0.00 0.00 175.55 175.11 2bu1 s LYS 43 N -2.22 0.72 -0.01 -0.62 2.20 -1.12 -1.78 119.74 116.91 2bu1 s LYS 43 Ca 0.48 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 2bu1 s LYS 43 Cb -0.16 -0.69 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 2bu1 s LYS 43 CO 0.21 0.18 -0.04 0.08 -0.36 0.00 0.00 175.35 175.42 2bu1 s VAL 44 N -0.36 0.34 0.09 4.02 1.01 -0.44 -0.89 120.40 124.18 2bu1 s VAL 44 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2bu1 s VAL 44 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2bu1 s VAL 44 CO -0.00 0.12 -0.07 0.42 0.00 0.00 0.00 175.10 175.57 2bu1 s THR 45 N 0.18 0.68 -0.16 3.92 -4.23 -0.16 -0.37 115.64 115.50 2bu1 s THR 45 Ca -0.02 -1.75 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 2bu1 s THR 45 Cb -0.05 -1.45 0.06 0.00 1.34 0.00 0.00 72.50 72.40 2bu1 s THR 45 CO -0.00 -0.76 0.58 0.00 -0.54 0.00 0.00 174.62 173.90 2bu1 s SER 47 N -0.20 -0.39 0.02 0.00 1.04 -0.93 -0.67 113.70 112.58 2bu1 s SER 47 Ca -0.04 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2bu1 s SER 47 Cb -0.03 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 2bu1 s SER 47 CO 0.03 -0.84 -0.07 -0.69 0.98 0.00 0.00 173.24 172.65 2bu1 s VAL 48 N -3.36 0.53 0.12 5.02 1.01 -1.26 -1.61 120.40 120.84 2bu1 s VAL 48 Ca -0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 2bu1 s VAL 48 Cb 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.89 2bu1 s VAL 48 CO -0.09 -0.14 0.37 0.00 0.00 0.00 0.00 175.10 175.24 2bu1 s ARG 49 N -0.93 1.03 -0.72 2.72 1.70 -0.86 -4.97 118.95 116.92 2bu1 s ARG 49 Ca -0.04 -0.72 -0.21 0.00 -0.47 0.00 0.00 55.73 54.29 2bu1 s ARG 49 Cb -0.06 0.45 0.09 0.00 -0.57 0.00 0.00 34.95 34.86 2bu1 s ARG 49 CO 0.00 -0.39 0.97 -1.14 -1.08 0.00 0.00 175.30 173.66 2bu1 s GLN 50 N -3.73 3.22 0.35 3.89 2.00 -1.26 -0.28 119.66 123.85 2bu1 s GLN 50 Ca 0.03 -1.14 0.13 0.00 -2.00 0.00 0.00 55.36 52.38 2bu1 s GLN 50 Cb 0.02 -4.41 0.63 0.00 0.80 0.00 0.00 33.01 30.05 2bu1 s GLN 50 CO -0.11 -1.77 1.76 0.66 -0.50 0.00 0.00 175.29 175.33 2bu1 h SER 51 N 9.33 0.00 -1.42 6.67 4.64 -1.73 -3.47 113.55 127.57 2bu1 h SER 51 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2bu1 h SER 51 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2bu1 h SER 51 CO 1.15 0.44 0.00 -1.54 -0.87 0.00 0.00 176.83 176.02 2bu1 n SER 52 N -3.91 -0.12 0.04 4.97 3.41 -1.17 -4.99 113.62 111.84 2bu1 n SER 52 Ca -0.01 -1.12 -0.02 0.00 -0.26 0.00 0.00 58.87 57.46 2bu1 n SER 52 Cb 0.48 0.21 0.25 0.00 -0.26 0.00 0.00 64.21 64.89 2bu1 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bu1 h ALA 53 N 1.74 1.21 0.00 7.33 0.00 -2.03 -3.28 119.26 124.22 2bu1 h ALA 53 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bu1 h ALA 53 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bu1 h ALA 53 CO 0.03 0.51 -1.64 1.04 0.00 0.00 0.00 179.25 179.19 2bu1 n GLN 54 N -4.16 0.65 -4.25 0.00 6.02 -1.26 -4.90 117.38 109.48 2bu1 n GLN 54 Ca -0.00 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.56 2bu1 n GLN 54 Cb 0.37 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 2bu1 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bu1 s ASN 55 N -3.86 4.22 0.08 1.08 0.01 -1.24 0.38 114.94 115.61 2bu1 s ASN 55 Ca -0.04 -0.45 0.09 0.00 -0.71 0.00 0.00 52.86 51.75 2bu1 s ASN 55 Cb 0.12 -0.73 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 2bu1 s ASN 55 CO 0.78 0.18 -0.23 -0.13 -1.51 0.00 0.00 177.10 176.19 2bu1 s ARG 56 N -2.19 1.75 -0.05 -0.60 0.52 -0.98 -2.03 118.95 115.38 2bu1 s ARG 56 Ca 0.20 -1.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2bu1 s ARG 56 Cb -0.11 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.35 2bu1 s ARG 56 CO 0.12 0.49 -0.03 0.21 0.02 0.00 0.00 175.30 176.12 2bu1 s LYS 57 N -1.71 0.74 -0.12 3.54 2.20 0.62 -1.40 119.74 123.61 2bu1 s LYS 57 Ca 0.14 -0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2bu1 s LYS 57 Cb -0.10 -0.81 -0.04 0.00 -1.51 0.00 0.00 37.83 35.36 2bu1 s LYS 57 CO 0.06 -0.12 0.15 0.71 -0.36 0.00 0.00 175.35 175.79 2bu1 s TYR 58 N 1.07 3.60 -0.20 4.03 1.51 -0.14 -2.02 117.35 125.19 2bu1 s TYR 58 Ca -0.09 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 2bu1 s TYR 58 Cb -0.14 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2bu1 s TYR 58 CO -0.01 0.73 -0.08 0.99 -1.11 0.00 0.00 175.55 176.08 2bu1 s THR 59 N -1.02 1.49 -0.04 -0.71 2.01 -0.64 -1.23 115.64 115.51 2bu1 s THR 59 Ca 0.15 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.21 2bu1 s THR 59 Cb -0.12 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2bu1 s THR 59 CO 0.04 0.07 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.17 2bu1 s ILE 60 N 1.44 2.23 0.01 1.82 1.01 -0.16 -2.19 121.20 125.35 2bu1 s ILE 60 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2bu1 s ILE 60 Cb -0.17 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 2bu1 s ILE 60 CO -0.07 0.58 -0.07 -0.54 0.00 0.00 0.00 174.94 174.84 2bu1 s LYS 61 N -0.50 0.52 0.00 2.79 1.02 -0.70 -1.13 119.74 121.74 2bu1 s LYS 61 Ca 0.06 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.74 2bu1 s LYS 61 Cb -0.11 -0.46 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2bu1 s LYS 61 CO 0.01 0.12 -0.07 0.08 -0.92 0.00 0.00 175.35 174.57 2bu1 s VAL 62 N -0.39 0.51 -0.09 3.17 1.01 -0.51 -0.99 120.40 123.10 2bu1 s VAL 62 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2bu1 s VAL 62 Cb -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2bu1 s VAL 62 CO -0.00 0.05 -0.13 -1.61 0.00 0.00 0.00 175.10 173.41 2bu1 s GLU 63 N -0.39 1.97 -0.21 2.72 2.02 -0.07 -0.97 118.70 123.78 2bu1 s GLU 63 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 2bu1 s GLU 63 Cb -0.04 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.50 2bu1 s GLU 63 CO -0.00 -0.05 -0.10 0.08 0.02 0.00 0.00 175.26 175.21 2bu1 s VAL 64 N 0.95 2.88 0.33 2.63 1.01 -0.52 -2.80 120.40 124.88 2bu1 s VAL 64 Ca -0.08 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2bu1 s VAL 64 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2bu1 s VAL 64 CO -0.00 0.44 0.52 -2.16 0.00 0.00 0.00 175.10 173.89 2bu1 s PRO 65 N 1.40 3.48 -0.41 2.72 0.04 -1.26 -0.68 135.00 140.29 2bu1 s PRO 65 Ca 0.05 -0.40 -0.06 0.00 0.04 0.00 0.00 61.00 60.63 2bu1 s PRO 65 Cb -0.14 -2.70 0.09 0.00 0.04 0.00 0.00 34.50 31.80 2bu1 s PRO 65 CO -0.07 0.19 0.22 0.21 0.04 0.00 0.00 177.00 177.59 2bu1 s LYS 66 N -4.26 2.30 0.28 4.56 2.47 -0.75 -4.98 119.74 119.37 2bu1 s LYS 66 Ca 0.39 -1.64 -0.30 0.00 -1.56 0.00 0.00 55.97 52.86 2bu1 s LYS 66 Cb -0.09 -3.64 -0.11 0.00 -1.46 0.00 0.00 37.83 32.52 2bu1 s LYS 66 CO 0.35 -1.00 1.54 0.08 0.16 0.00 0.00 175.35 176.47 2bu1 s VAL 67 N 1.27 2.27 0.18 4.02 1.01 -1.26 -0.44 120.40 127.45 2bu1 s VAL 67 Ca 0.05 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2bu1 s VAL 67 Cb -0.23 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.06 2bu1 s VAL 67 CO -0.01 0.04 0.59 0.00 0.00 0.00 0.00 175.10 175.71 2bu1 s ALA 68 N -0.06 -1.35 -0.16 5.51 0.00 -0.92 -4.75 121.76 120.03 2bu1 s ALA 68 Ca 0.61 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2bu1 s ALA 68 Cb -0.46 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2bu1 s ALA 68 CO 0.47 -0.81 -0.05 0.99 0.00 0.00 0.00 175.76 176.36 2bu1 s THR 69 N -3.81 3.76 -0.14 0.00 2.01 -1.26 -1.58 115.64 114.61 2bu1 s THR 69 Ca 0.04 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 2bu1 s THR 69 Cb -0.02 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 2bu1 s THR 69 CO -0.08 0.49 0.18 -1.58 -0.69 0.00 0.00 174.62 172.94 2bu1 s GLN 70 N 0.48 3.85 -0.18 4.92 0.74 -0.10 -4.94 119.66 124.44 2bu1 s GLN 70 Ca -0.04 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.29 2bu1 s GLN 70 Cb -0.14 -3.30 0.04 0.00 1.10 0.00 0.00 33.01 30.70 2bu1 s GLN 70 CO 0.03 0.54 -0.10 0.99 -0.55 0.00 0.00 175.29 176.19 2bu1 s THR 71 N -0.36 1.54 -0.12 -0.34 2.01 -1.26 -0.74 115.64 116.37 2bu1 s THR 71 Ca 0.14 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2bu1 s THR 71 Cb -0.12 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.84 2bu1 s THR 71 CO 0.03 0.23 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.50 2bu1 s VAL 72 N 1.46 0.57 -1.38 3.82 1.01 -0.76 -4.77 120.40 120.35 2bu1 s VAL 72 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2bu1 s VAL 72 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2bu1 s VAL 72 CO -0.09 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2bu1 n GLY 73 N 5.07 0.29 2.13 4.51 0.00 -1.26 -1.65 105.19 114.27 2bu1 n GLY 73 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2bu1 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bu1 n GLY 74 N -1.05 1.83 3.55 -0.02 0.00 -1.26 -5.01 105.19 103.23 2bu1 n GLY 74 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2bu1 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bu1 s VAL 75 N -2.88 5.11 -0.14 1.61 1.01 -0.66 -5.07 120.40 119.39 2bu1 s VAL 75 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2bu1 s VAL 75 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2bu1 s VAL 75 CO 0.00 -0.13 0.12 -1.83 0.00 0.00 0.00 175.10 173.26 2bu1 s GLU 76 N 2.16 3.65 0.05 2.72 -1.05 -1.25 -1.82 118.70 123.14 2bu1 s GLU 76 Ca 0.14 -0.20 0.06 0.00 -0.15 0.00 0.00 54.97 54.83 2bu1 s GLU 76 Cb -0.16 -3.22 -0.02 0.00 -0.44 0.00 0.00 34.13 30.29 2bu1 s GLU 76 CO 0.12 0.60 -0.18 -0.51 0.95 0.00 0.00 175.26 176.24 2bu1 s LEU 77 N -0.52 2.18 -0.10 1.83 1.43 0.08 -4.95 118.68 118.62 2bu1 s LEU 77 Ca 0.12 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 2bu1 s LEU 77 Cb -0.12 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2bu1 s LEU 77 CO 0.02 0.10 1.10 -2.84 0.23 0.00 0.00 176.35 174.96 2bu1 s PRO 78 N -1.24 4.36 0.22 1.29 0.02 -1.26 -0.92 135.00 137.48 2bu1 s PRO 78 Ca 0.05 1.51 0.05 0.00 0.02 0.00 0.00 61.00 62.64 2bu1 s PRO 78 Cb -0.09 -3.58 -0.02 0.00 0.02 0.00 0.00 34.50 30.84 2bu1 s PRO 78 CO 0.02 -0.43 0.19 1.33 -0.33 0.00 0.00 177.00 177.78 2bu1 n VAL 79 N 4.72 0.00 -3.96 3.83 0.24 -0.62 -4.71 118.33 117.83 2bu1 n VAL 79 Ca 0.10 -1.63 -0.34 0.00 -2.04 0.00 0.00 64.34 60.43 2bu1 n VAL 79 Cb 0.47 0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 33.51 2bu1 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bu1 s ALA 80 N -2.90 2.69 0.26 2.33 0.00 -1.24 -2.16 121.76 120.73 2bu1 s ALA 80 Ca 0.27 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2bu1 s ALA 80 Cb 0.01 -1.58 0.47 0.00 0.00 0.00 0.00 23.12 22.01 2bu1 s ALA 80 CO 0.19 -0.48 1.80 0.00 0.00 0.00 0.00 175.76 177.27 2bu1 h ALA 81 N 8.06 1.28 -2.51 0.00 0.00 -1.05 -3.46 119.26 121.58 2bu1 h ALA 81 Ca -0.41 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.69 2bu1 h ALA 81 Cb 1.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2bu1 h ALA 81 CO 0.61 0.08 0.47 1.67 0.00 0.00 0.00 179.25 182.08 2bu1 s TRP 82 N -6.00 -0.05 0.04 0.00 1.48 -1.26 -5.03 118.94 108.12 2bu1 s TRP 82 Ca -0.12 -0.34 0.02 0.00 -1.06 0.00 0.00 56.10 54.60 2bu1 s TRP 82 Cb 0.21 0.68 -0.02 0.00 -1.16 0.00 0.00 33.47 33.18 2bu1 s TRP 82 CO 0.79 -0.97 -0.08 1.03 -4.06 0.00 0.00 176.95 173.66 2bu1 s ARG 83 N -2.90 0.52 -0.15 3.25 0.52 -1.26 -1.81 118.95 117.12 2bu1 s ARG 83 Ca 0.15 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 2bu1 s ARG 83 Cb -0.02 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 2bu1 s ARG 83 CO 0.05 0.06 0.07 0.45 0.02 0.00 0.00 175.30 175.95 2bu1 s SER 84 N -1.39 5.77 -0.09 0.23 0.15 0.14 -4.95 113.70 113.55 2bu1 s SER 84 Ca -0.08 0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.80 2bu1 s SER 84 Cb -0.09 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.32 2bu1 s SER 84 CO 0.00 0.28 -0.19 -0.31 1.20 0.00 0.00 173.24 174.22 2bu1 s TYR 85 N -0.25 2.65 -0.17 3.44 1.51 -1.26 -1.44 117.35 121.82 2bu1 s TYR 85 Ca 0.08 -0.69 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2bu1 s TYR 85 Cb -0.12 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 2bu1 s TYR 85 CO 0.01 -0.21 -0.15 -1.17 -1.11 0.00 0.00 175.55 172.92 2bu1 s LEU 86 N 0.08 2.42 -0.12 -1.29 2.96 -0.14 -5.00 118.68 117.58 2bu1 s LEU 86 Ca -0.08 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2bu1 s LEU 86 Cb -0.15 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2bu1 s LEU 86 CO 0.05 0.04 -0.15 0.20 -1.32 0.00 0.00 176.35 175.17 2bu1 s ASN 87 N 1.08 2.55 -0.01 3.68 0.01 -1.26 -1.42 114.94 119.56 2bu1 s ASN 87 Ca -0.00 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 2bu1 s ASN 87 Cb -0.14 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.39 2bu1 s ASN 87 CO -0.05 -0.01 -0.04 0.00 -1.51 0.00 0.00 177.10 175.49 2bu1 s MET 88 N 1.18 0.45 -0.10 -0.60 0.23 -0.29 -5.01 119.30 115.17 2bu1 s MET 88 Ca -0.02 -0.13 0.03 0.00 -1.03 0.00 0.00 55.69 54.54 2bu1 s MET 88 Cb -0.14 -0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 32.68 2bu1 s MET 88 CO -0.05 0.04 -0.19 -1.21 -2.03 0.00 0.00 175.02 171.59 2bu1 s GLU 89 N 0.20 3.02 -0.20 3.16 2.02 -1.26 -0.99 118.70 124.65 2bu1 s GLU 89 Ca -0.02 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2bu1 s GLU 89 Cb -0.06 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.81 2bu1 s GLU 89 CO -0.00 0.29 -0.07 -1.17 0.02 0.00 0.00 175.26 174.32 2bu1 s LEU 90 N 0.12 2.22 -0.23 1.80 2.96 -0.37 -4.96 118.68 120.23 2bu1 s LEU 90 Ca -0.09 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.76 2bu1 s LEU 90 Cb -0.15 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 2bu1 s LEU 90 CO 0.06 -0.19 0.23 -0.89 -1.32 0.00 0.00 176.35 174.24 2bu1 s THR 91 N 1.45 5.31 -0.17 3.68 2.01 -1.26 -0.97 115.64 125.70 2bu1 s THR 91 Ca -0.02 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 2bu1 s THR 91 Cb -0.17 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.82 2bu1 s THR 91 CO -0.07 0.31 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.52 2bu1 s ILE 92 N 1.16 0.90 0.52 1.82 1.01 -0.49 -4.98 121.20 121.14 2bu1 s ILE 92 Ca 0.11 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 2bu1 s ILE 92 Cb -0.14 -1.17 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 2bu1 s ILE 92 CO 0.06 0.04 1.12 -2.65 0.00 0.00 0.00 174.94 173.50 2bu1 n PRO 93 N 4.94 1.35 0.00 2.79 -0.02 -1.26 -2.33 135.00 140.47 2bu1 n PRO 93 Ca -0.11 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 2bu1 n PRO 93 Cb 0.48 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.83 2bu1 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bu1 n ILE 94 N -1.05 1.21 1.06 4.25 -5.35 0.16 -2.05 119.36 117.58 2bu1 n ILE 94 Ca 0.11 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 63.02 2bu1 n ILE 94 Cb 0.44 -1.20 0.46 0.00 -1.74 0.00 0.00 39.64 37.59 2bu1 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bu1 n PHE 95 N -1.38 0.00 -2.11 4.28 3.72 -1.26 -4.87 117.46 115.84 2bu1 n PHE 95 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2bu1 n PHE 95 Cb 0.06 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 2bu1 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bu1 s ALA 96 N -2.93 3.62 0.99 4.37 0.00 -0.87 -5.01 121.76 121.93 2bu1 s ALA 96 Ca 0.15 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 2bu1 s ALA 96 Cb 0.18 -3.65 0.17 0.00 0.00 0.00 0.00 23.12 19.82 2bu1 s ALA 96 CO 0.59 -1.05 0.99 0.25 0.00 0.00 0.00 175.76 176.55 2bu1 n THR 97 N 4.82 0.00 0.02 0.00 -2.24 -1.26 -4.85 114.28 110.77 2bu1 n THR 97 Ca 0.15 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 61.13 2bu1 n THR 97 Cb 0.43 -1.62 0.14 0.00 -2.10 0.00 0.00 70.33 67.18 2bu1 n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2bu1 h ASN 98 N -1.29 0.50 -0.70 3.42 4.21 -1.99 -2.33 115.58 117.39 2bu1 h ASN 98 Ca -0.32 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 56.96 2bu1 h ASN 98 Cb 0.89 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2bu1 h ASN 98 CO 0.23 0.84 0.38 0.28 -1.29 0.00 0.00 177.43 177.87 2bu1 h SER 99 N 0.40 0.89 -0.62 5.81 0.02 -2.00 -1.52 113.55 116.52 2bu1 h SER 99 Ca 0.04 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2bu1 h SER 99 Cb 0.86 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2bu1 h SER 99 CO 0.07 0.73 0.23 0.44 -1.14 0.00 0.00 176.83 177.16 2bu1 h ASP 100 N 0.97 0.88 -0.01 3.07 3.32 -1.85 -2.76 116.42 120.04 2bu1 h ASP 100 Ca 0.25 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2bu1 h ASP 100 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2bu1 h ASP 100 CO -0.04 0.83 -0.18 0.00 -1.72 0.00 0.00 179.24 178.13 2bu1 h GLU 102 N 0.33 0.42 -0.38 0.00 5.08 -1.09 -1.67 114.58 117.27 2bu1 h GLU 102 Ca 0.06 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2bu1 h GLU 102 Cb 0.52 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2bu1 h GLU 102 CO 0.03 0.65 -0.29 1.25 -1.00 0.00 0.00 179.01 179.65 2bu1 h LEU 103 N 0.37 0.85 -0.78 1.33 5.85 -1.15 -1.51 115.31 120.28 2bu1 h LEU 103 Ca 0.06 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 2bu1 h LEU 103 Cb 0.64 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2bu1 h LEU 103 CO 0.05 1.08 0.31 0.40 -0.34 0.00 0.00 178.44 179.94 2bu1 h ILE 104 N 0.70 1.26 -0.53 4.05 2.04 -0.94 -1.02 117.51 123.07 2bu1 h ILE 104 Ca 0.08 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 2bu1 h ILE 104 Cb 0.83 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2bu1 h ILE 104 CO 0.07 0.33 -0.09 0.58 0.00 0.00 0.00 178.15 179.04 2bu1 h VAL 105 N 1.13 1.27 -0.36 1.67 2.07 -1.11 -2.28 116.25 118.64 2bu1 h VAL 105 Ca 0.26 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2bu1 h VAL 105 Cb 0.21 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2bu1 h VAL 105 CO -0.02 0.43 -0.00 0.11 0.02 0.00 0.00 177.57 178.11 2bu1 h LYS 106 N 0.88 0.56 -0.50 1.57 1.57 -0.78 -1.28 116.57 118.58 2bu1 h LYS 106 Ca 0.14 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2bu1 h LYS 106 Cb 0.64 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2bu1 h LYS 106 CO 0.04 0.58 -0.09 0.00 -0.57 0.00 0.00 179.45 179.42 2bu1 h ALA 107 N 1.47 0.88 -0.50 3.86 0.00 -0.87 0.17 119.26 124.27 2bu1 h ALA 107 Ca 0.11 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2bu1 h ALA 107 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bu1 h ALA 107 CO 0.01 0.64 -0.15 0.52 0.00 0.00 0.00 179.25 180.28 2bu1 h MET 108 N 0.83 0.99 -0.37 0.00 2.86 -0.83 -1.37 114.93 117.03 2bu1 h MET 108 Ca 0.14 -0.39 -0.14 0.00 -2.06 0.00 0.00 59.70 57.25 2bu1 h MET 108 Cb 0.62 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2bu1 h MET 108 CO 0.04 1.07 -0.31 1.96 1.06 0.00 0.00 176.91 180.73 2bu1 h GLN 109 N 0.85 0.82 -0.61 1.72 4.20 -1.07 -3.10 115.11 117.93 2bu1 h GLN 109 Ca 0.12 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 2bu1 h GLN 109 Cb 0.72 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2bu1 h GLN 109 CO 0.05 1.02 0.02 0.78 -0.67 0.00 0.00 178.83 180.04 2bu1 h GLY 110 N 0.91 1.13 1.24 3.46 0.00 -0.82 -2.16 103.07 106.83 2bu1 h GLY 110 Ca 0.08 -0.81 0.08 0.00 0.00 0.00 0.00 47.33 46.67 2bu1 h GLY 110 CO 0.08 0.74 0.33 -2.00 0.00 0.00 0.00 176.54 175.69 2bu1 h LEU 111 N 0.96 0.31 -2.15 3.11 5.85 -1.18 -2.98 115.31 119.23 2bu1 h LEU 111 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2bu1 h LEU 111 Cb 0.52 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2bu1 h LEU 111 CO 0.03 0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 2bu1 n LEU 112 N -4.47 2.82 -4.77 2.25 4.77 -1.05 -4.32 117.00 112.23 2bu1 n LEU 112 Ca 0.07 -1.43 -0.40 0.00 -0.03 0.00 0.00 56.01 54.23 2bu1 n LEU 112 Cb 0.31 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2bu1 n LEU 112 CO 0.34 0.61 1.05 -0.75 -1.33 0.00 0.00 177.39 177.31 2bu1 s LYS 113 N -1.22 3.72 0.28 3.23 2.20 -0.84 -4.77 119.74 122.34 2bu1 s LYS 113 Ca 0.26 2.38 -0.29 0.00 -0.36 0.00 0.00 55.97 57.95 2bu1 s LYS 113 Cb 0.16 -2.67 -0.13 0.00 -1.51 0.00 0.00 37.83 33.68 2bu1 s LYS 113 CO 0.22 -0.77 1.25 -0.25 -0.36 0.00 0.00 175.35 175.43 2bu1 n ASP 114 N -0.16 2.29 0.00 1.43 8.00 -1.26 -2.03 116.55 124.82 2bu1 n ASP 114 Ca 0.05 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2bu1 n ASP 114 Cb 0.42 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2bu1 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bu1 n GLY 115 N 1.41 3.13 3.81 0.44 0.00 -1.26 -5.05 105.19 107.66 2bu1 n GLY 115 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2bu1 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bu1 s ASN 116 N 0.04 5.57 0.21 1.61 0.01 -0.86 -4.88 114.94 116.63 2bu1 s ASN 116 Ca 0.00 1.75 -0.17 0.00 -0.71 0.00 0.00 52.86 53.73 2bu1 s ASN 116 Cb 0.00 -2.52 0.21 0.00 0.41 0.00 0.00 41.25 39.35 2bu1 s ASN 116 CO 0.00 -1.31 1.59 -0.65 -1.51 0.00 0.00 177.10 175.21 2bu1 h PRO 117 N -0.06 -0.08 -0.01 -0.60 0.11 -1.89 -2.53 132.00 126.94 2bu1 h PRO 117 Ca -0.46 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2bu1 h PRO 117 Cb 1.22 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bu1 h PRO 117 CO 0.57 -0.05 -0.01 0.82 -0.21 0.00 0.00 178.00 179.12 2bu1 h ILE 118 N -0.08 1.34 -0.01 4.15 2.04 -1.94 -2.00 117.51 121.02 2bu1 h ILE 118 Ca 0.30 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 2bu1 h ILE 118 Cb 0.56 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2bu1 h ILE 118 CO -0.76 0.27 -0.28 1.55 0.00 0.00 0.00 178.15 178.93 2bu1 h PRO 119 N -0.40 0.01 -0.49 2.37 0.13 -1.74 -2.24 132.00 129.63 2bu1 h PRO 119 Ca 0.00 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2bu1 h PRO 119 Cb 0.44 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 2bu1 h PRO 119 CO 0.00 0.29 -0.02 0.77 -0.23 0.00 0.00 178.00 178.81 2bu1 h SER 120 N 0.01 0.87 0.08 1.44 0.02 -1.41 -1.02 113.55 113.55 2bu1 h SER 120 Ca -0.00 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2bu1 h SER 120 Cb 0.50 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2bu1 h SER 120 CO 0.04 0.98 -0.04 0.00 -1.14 0.00 0.00 176.83 176.67 2bu1 h ALA 121 N 0.92 -0.11 -0.12 3.77 0.00 -1.04 -2.75 119.26 119.93 2bu1 h ALA 121 Ca 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2bu1 h ALA 121 Cb 0.54 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2bu1 h ALA 121 CO 0.03 -0.48 -0.04 0.82 0.00 0.00 0.00 179.25 179.59 2bu1 h ILE 122 N -0.28 0.86 -0.01 0.00 2.04 -1.36 0.11 117.51 118.87 2bu1 h ILE 122 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2bu1 h ILE 122 Cb 0.24 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2bu1 h ILE 122 CO 0.02 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.25 2bu1 h ALA 123 N 1.11 1.16 -0.29 1.87 0.00 -1.16 -2.17 119.26 119.77 2bu1 h ALA 123 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2bu1 h ALA 123 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2bu1 h ALA 123 CO -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.01 2bu1 n ALA 124 N -2.07 3.52 -2.74 0.00 0.00 -0.79 -4.94 120.51 113.48 2bu1 n ALA 124 Ca -0.03 -2.68 -0.16 0.00 0.00 0.00 0.00 53.44 50.57 2bu1 n ALA 124 Cb 0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 2bu1 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bu1 n ASN 125 N -0.84 -4.12 -4.64 0.00 3.02 -0.82 -4.93 115.26 102.93 2bu1 n ASN 125 Ca 0.26 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 2bu1 n ASN 125 Cb 0.95 -3.45 -0.10 0.00 -0.61 0.00 0.00 39.78 36.56 2bu1 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bu1 s SER 126 N -2.28 3.90 0.00 6.41 0.01 0.31 -5.03 113.70 117.02 2bu1 s SER 126 Ca 0.14 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2bu1 s SER 126 Cb -0.07 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2bu1 s SER 126 CO 0.17 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2bu1 n GLY 127 N -1.02 4.10 3.87 3.44 0.00 -1.26 -4.05 105.19 110.27 2bu1 n GLY 127 Ca -0.08 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 2bu1 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bu1 s ILE 128 N 2.14 5.23 0.00 -0.61 -1.09 -1.26 -4.76 121.20 120.85 2bu1 s ILE 128 Ca 0.00 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2bu1 s ILE 128 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2bu1 s ILE 128 CO 0.00 0.41 0.00 0.00 -1.23 0.00 0.00 174.94 174.12