#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bu1 n SER 2 N 0.00 0.00 -0.74 0.00 2.88 -1.26 -5.05 113.62 109.45 2bu1 n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2bu1 n SER 2 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 2bu1 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bu1 n ASN 3 N 0.00 2.26 -4.08 -3.46 0.23 -1.26 -4.63 115.26 104.33 2bu1 n ASN 3 Ca 0.00 -1.77 -0.43 0.00 -0.53 0.00 0.00 54.58 51.86 2bu1 n ASN 3 Cb 0.00 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 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 0.73 3.85 -4.60 -2.53 7.35 -1.26 -4.92 117.46 116.08 2bu1 n PHE 4 Ca 0.17 -2.96 -0.27 0.00 -0.76 0.00 0.00 57.45 53.63 2bu1 n PHE 4 Cb 0.45 -2.32 -0.11 0.00 0.35 0.00 0.00 39.48 37.85 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 2.24 1.76 0.58 -2.13 -4.23 -1.26 -4.84 115.64 107.76 2bu1 s THR 5 Ca 0.45 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 2bu1 s THR 5 Cb 0.08 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2bu1 s THR 5 CO -0.01 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.08 2bu1 s GLN 6 N -3.76 3.70 0.19 3.99 -2.07 -1.26 -4.58 119.66 115.87 2bu1 s GLN 6 Ca 0.33 0.85 -0.17 0.00 -1.82 0.00 0.00 55.36 54.55 2bu1 s GLN 6 Cb 0.09 -2.10 0.03 0.00 -1.09 0.00 0.00 33.01 29.94 2bu1 s GLN 6 CO 0.16 -0.48 0.50 -0.59 -1.32 0.00 0.00 175.29 173.57 2bu1 s PHE 7 N -2.94 -0.09 -0.43 9.60 -0.71 -0.65 -4.99 117.98 117.77 2bu1 s PHE 7 Ca 0.57 -0.25 -0.25 0.00 -1.04 0.00 0.00 56.93 55.96 2bu1 s PHE 7 Cb -0.11 0.36 0.02 0.00 -1.21 0.00 0.00 43.02 42.09 2bu1 s PHE 7 CO 0.45 -0.90 0.91 0.08 -1.34 0.00 0.00 175.22 174.42 2bu1 s VAL 8 N -3.88 4.52 -0.04 -2.49 1.01 -1.26 -0.89 120.40 117.37 2bu1 s VAL 8 Ca 0.09 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 2bu1 s VAL 8 Cb -0.01 -4.40 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 2bu1 s VAL 8 CO -0.03 -0.74 0.95 0.25 0.00 0.00 0.00 175.10 175.53 2bu1 h LEU 9 N 10.40 0.42 -7.97 3.92 5.85 -1.24 -3.43 115.31 123.25 2bu1 h LEU 9 Ca -0.24 -0.89 -0.67 0.00 0.84 0.00 0.00 57.88 56.92 2bu1 h LEU 9 Cb 1.08 -0.13 -0.36 0.00 0.37 0.00 0.00 40.66 41.62 2bu1 h LEU 9 CO 1.01 1.27 -0.81 -0.69 -0.34 0.00 0.00 178.44 178.88 2bu1 s VAL 10 N -2.69 2.25 -0.63 1.05 1.01 -0.92 -5.00 120.40 115.47 2bu1 s VAL 10 Ca -0.14 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.31 2bu1 s VAL 10 Cb 0.01 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.30 2bu1 s VAL 10 CO 0.81 0.18 0.82 -0.62 0.00 0.00 0.00 175.10 176.28 2bu1 s ASP 11 N 1.19 6.20 -0.51 3.32 -1.08 -1.26 -1.31 116.67 123.22 2bu1 s ASP 11 Ca -0.03 -1.31 0.02 0.00 -0.52 0.00 0.00 52.55 50.71 2bu1 s ASP 11 Cb -0.17 -2.35 0.55 0.00 -1.46 0.00 0.00 42.92 39.49 2bu1 s ASP 11 CO -0.07 -1.23 1.88 0.59 0.52 0.00 0.00 175.17 176.86 2bu1 n ASN 12 N 6.83 5.29 -2.98 -0.34 3.02 -1.26 -4.94 115.26 120.88 2bu1 n ASN 12 Ca -0.06 -3.71 -0.13 0.00 -0.03 0.00 0.00 54.58 50.65 2bu1 n ASN 12 Cb 0.44 -0.85 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.03 -1.08 4.18 7.41 0.00 -1.26 -3.62 105.19 109.79 2bu1 n GLY 13 Ca 0.58 1.19 0.00 0.00 0.00 0.00 0.00 46.02 47.79 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 -0.40 0.00 2.90 -0.02 0.00 -1.26 -4.80 105.19 101.62 2bu1 n GLY 14 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 1.78 0.00 2.61 -4.23 -1.24 -4.60 115.64 109.94 2bu1 s THR 15 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2bu1 s THR 15 Cb 0.00 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2bu1 s THR 15 CO 0.00 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 2bu1 n GLY 16 N 4.34 1.22 3.76 3.99 0.00 -1.26 -4.86 105.19 112.38 2bu1 n GLY 16 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.71 -0.43 1.61 1.11 -1.26 -4.66 116.67 116.75 2bu1 s ASP 17 Ca 0.00 2.65 -0.09 0.00 0.18 0.00 0.00 52.55 55.29 2bu1 s ASP 17 Cb 0.00 -2.63 0.09 0.00 1.07 0.00 0.00 42.92 41.45 2bu1 s ASP 17 CO 0.00 -1.26 0.28 -0.69 1.18 0.00 0.00 175.17 174.67 2bu1 s VAL 18 N -1.35 4.23 0.17 -1.27 1.01 -0.43 -4.99 120.40 117.78 2bu1 s VAL 18 Ca 0.66 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2bu1 s VAL 18 Cb -0.37 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2bu1 s VAL 18 CO 0.46 -0.55 0.36 0.42 0.00 0.00 0.00 175.10 175.79 2bu1 s THR 19 N 1.42 5.22 -0.03 3.92 -4.23 -1.26 -0.70 115.64 119.97 2bu1 s THR 19 Ca 0.04 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2bu1 s THR 19 Cb -0.24 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2bu1 s THR 19 CO 0.02 -0.08 -0.12 0.54 -0.54 0.00 0.00 174.62 174.44 2bu1 s VAL 20 N -1.77 0.98 0.15 2.29 0.11 -0.07 -4.38 120.40 117.71 2bu1 s VAL 20 Ca 0.39 -0.47 0.10 0.00 -2.93 0.00 0.00 61.98 59.06 2bu1 s VAL 20 Cb -0.11 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2bu1 s VAL 20 CO 0.28 0.30 -0.24 0.00 -3.33 0.00 0.00 175.10 172.11 2bu1 s ALA 21 N 0.12 2.28 0.21 1.54 0.00 -0.51 -1.64 121.76 123.76 2bu1 s ALA 21 Ca -0.03 -1.49 -0.32 0.00 0.00 0.00 0.00 51.96 50.12 2bu1 s ALA 21 Cb -0.09 -0.31 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 2bu1 s ALA 21 CO 0.01 0.43 1.30 -2.30 0.00 0.00 0.00 175.76 175.20 2bu1 n PRO 22 N 0.63 1.67 0.00 0.00 -0.02 -1.26 -1.56 135.00 134.45 2bu1 n PRO 22 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2bu1 n PRO 22 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.08 0.12 -3.63 2.55 3.41 -0.20 -4.84 113.62 113.11 2bu1 n SER 23 Ca 0.13 -0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2bu1 n SER 23 Cb 0.29 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.15 -0.12 -0.00 4.04 3.84 -1.22 -4.98 114.94 116.35 2bu1 s ASN 24 Ca 0.00 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.21 2bu1 s ASN 24 Cb 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.81 2bu1 s ASN 24 CO 0.00 -0.11 0.90 0.33 -2.79 0.00 0.00 177.10 175.44 2bu1 n PHE 25 N 0.63 0.00 -1.88 0.43 -0.00 -1.25 -0.40 117.46 114.98 2bu1 n PHE 25 Ca -0.03 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.45 57.01 2bu1 n PHE 25 Cb 0.59 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 40.03 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 -0.04 3.38 -2.01 3.13 0.00 -1.26 -2.83 121.76 122.13 2bu1 s ALA 26 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2bu1 s ALA 26 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2bu1 s ALA 26 CO 0.00 -1.03 0.00 0.09 0.00 0.00 0.00 175.76 174.82 2bu1 n ASN 27 N 0.17 -5.74 -0.05 0.00 3.02 -1.26 -2.56 115.26 108.84 2bu1 n ASN 27 Ca 0.03 0.25 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 2bu1 n ASN 27 Cb 0.41 -4.91 -0.00 0.00 -0.61 0.00 0.00 39.78 34.67 2bu1 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bu1 n GLY 28 N -0.70 0.43 3.30 7.41 0.00 -1.13 -4.99 105.19 109.50 2bu1 n GLY 28 Ca -0.23 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.81 3.88 0.13 1.61 1.01 -1.06 -4.60 120.40 119.57 2bu1 s VAL 29 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2bu1 s VAL 29 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 2bu1 s VAL 29 CO 0.00 -0.12 1.13 0.00 0.00 0.00 0.00 175.10 176.10 2bu1 s ALA 30 N 1.44 3.36 0.08 5.51 0.00 0.10 -3.97 121.76 128.28 2bu1 s ALA 30 Ca -0.00 0.81 0.07 0.00 0.00 0.00 0.00 51.96 52.84 2bu1 s ALA 30 Cb -0.19 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2bu1 s ALA 30 CO 0.03 -0.29 -0.20 -2.00 0.00 0.00 0.00 175.76 173.30 2bu1 s GLU 31 N 0.18 1.17 0.00 0.00 2.12 0.46 -1.01 118.70 121.63 2bu1 s GLU 31 Ca 0.53 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2bu1 s GLU 31 Cb -0.29 -1.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 2bu1 s GLU 31 CO 0.33 0.33 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.75 2bu1 s TRP 32 N -1.03 0.34 0.04 5.30 0.51 0.19 -1.04 118.94 123.26 2bu1 s TRP 32 Ca 0.06 -0.13 -0.06 0.00 -2.12 0.00 0.00 56.10 53.85 2bu1 s TRP 32 Cb -0.09 -0.22 -0.01 0.00 -0.81 0.00 0.00 33.47 32.34 2bu1 s TRP 32 CO 0.03 -0.02 0.11 0.96 -0.51 0.00 0.00 176.95 177.52 2bu1 s ILE 33 N -0.29 0.13 0.67 2.03 -4.36 -0.60 -1.40 121.20 117.38 2bu1 s ILE 33 Ca -0.01 -1.08 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 2bu1 s ILE 33 Cb -0.03 -0.91 0.03 0.00 1.25 0.00 0.00 42.46 42.80 2bu1 s ILE 33 CO -0.00 -0.60 1.00 -0.94 0.24 0.00 0.00 174.94 174.65 2bu1 s SER 34 N -2.15 5.21 -1.20 4.36 1.04 -1.09 -1.43 113.70 118.44 2bu1 s SER 34 Ca -0.05 0.72 -0.20 0.00 0.48 0.00 0.00 55.95 56.90 2bu1 s SER 34 Cb -0.01 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.56 2bu1 s SER 34 CO -0.05 -1.37 1.89 -1.20 0.98 0.00 0.00 173.24 173.49 2bu1 n SER 35 N -2.85 3.72 -3.55 7.02 7.64 -1.26 -4.77 113.62 119.58 2bu1 n SER 35 Ca 0.06 -2.78 -0.14 0.00 1.01 0.00 0.00 58.87 57.02 2bu1 n SER 35 Cb 0.59 -1.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 2bu1 n SER 35 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2bu1 s ASN 36 N 5.29 0.72 0.69 6.43 0.01 -1.26 -5.08 114.94 121.74 2bu1 s ASN 36 Ca 0.61 -1.41 -0.14 0.00 -0.71 0.00 0.00 52.86 51.20 2bu1 s ASN 36 Cb 0.04 0.59 0.02 0.00 0.41 0.00 0.00 41.25 42.30 2bu1 s ASN 36 CO 0.10 -1.16 1.12 -0.94 -1.51 0.00 0.00 177.10 174.71 2bu1 s SER 37 N -3.21 4.85 0.64 -1.22 1.04 -1.26 -4.77 113.70 109.77 2bu1 s SER 37 Ca 0.32 2.01 0.42 0.00 0.48 0.00 0.00 55.95 59.18 2bu1 s SER 37 Cb 0.01 -2.55 2.15 0.00 0.10 0.00 0.00 66.02 65.73 2bu1 s SER 37 CO 0.18 -1.80 2.27 -0.09 0.98 0.00 0.00 173.24 174.78 2bu1 h ARG 38 N -0.25 0.00 0.00 4.02 9.65 -1.97 -1.49 114.38 124.33 2bu1 h ARG 38 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2bu1 h ARG 38 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2bu1 h ARG 38 CO 0.53 0.00 -0.16 0.66 2.80 0.00 0.00 179.97 183.80 2bu1 h SER 39 N 0.00 0.00 0.00 -3.80 4.64 -1.89 -3.32 113.55 109.18 2bu1 h SER 39 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2bu1 h SER 39 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2bu1 h SER 39 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2bu1 n GLN 40 N -2.50 1.27 -2.72 4.77 6.02 -0.64 -3.70 117.38 119.89 2bu1 n GLN 40 Ca 0.04 -1.06 -0.34 0.00 -0.01 0.00 0.00 57.00 55.63 2bu1 n GLN 40 Cb 0.47 -1.00 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 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 -0.57 2.99 0.48 -1.58 0.00 -0.73 -4.84 121.76 117.52 2bu1 s ALA 41 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 2bu1 s ALA 41 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2bu1 s ALA 41 CO 0.00 -0.02 0.99 0.71 0.00 0.00 0.00 175.76 177.43 2bu1 s TYR 42 N -2.07 3.26 -0.05 0.00 1.51 -1.26 -4.67 117.35 114.06 2bu1 s TYR 42 Ca 0.63 1.55 -0.04 0.00 -1.01 0.00 0.00 57.07 58.20 2bu1 s TYR 42 Cb -0.12 -2.89 0.02 0.00 -0.11 0.00 0.00 41.96 38.86 2bu1 s TYR 42 CO 0.16 -0.40 0.14 0.21 -1.11 0.00 0.00 175.55 174.55 2bu1 s LYS 43 N -3.52 0.15 -0.04 -0.62 2.20 -0.95 -2.68 119.74 114.27 2bu1 s LYS 43 Ca 0.62 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.48 2bu1 s LYS 43 Cb -0.11 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 2bu1 s LYS 43 CO 0.22 -0.05 -0.07 0.08 -0.36 0.00 0.00 175.35 175.17 2bu1 s VAL 44 N 0.33 0.65 0.09 4.02 1.01 -0.50 -0.09 120.40 125.91 2bu1 s VAL 44 Ca -0.02 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2bu1 s VAL 44 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2bu1 s VAL 44 CO -0.01 0.23 -0.13 0.42 0.00 0.00 0.00 175.10 175.61 2bu1 s THR 45 N 0.61 1.13 -0.16 3.92 -4.23 0.04 -0.63 115.64 116.31 2bu1 s THR 45 Ca -0.09 -1.48 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2bu1 s THR 45 Cb -0.12 -1.24 0.05 0.00 1.34 0.00 0.00 72.50 72.52 2bu1 s THR 45 CO 0.01 -0.34 0.41 0.00 -0.54 0.00 0.00 174.62 174.15 2bu1 s SER 47 N 0.57 0.03 -0.01 0.00 1.04 -0.65 -0.72 113.70 113.96 2bu1 s SER 47 Ca -0.03 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.10 2bu1 s SER 47 Cb -0.05 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2bu1 s SER 47 CO -0.03 -0.53 -0.13 -0.69 0.98 0.00 0.00 173.24 172.84 2bu1 s VAL 48 N -2.38 1.02 -0.01 5.02 1.01 -1.26 -1.17 120.40 122.63 2bu1 s VAL 48 Ca -0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2bu1 s VAL 48 Cb -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2bu1 s VAL 48 CO -0.03 0.29 0.12 -0.60 0.00 0.00 0.00 175.10 174.88 2bu1 s ARG 49 N -0.30 0.41 -1.06 2.72 3.52 -0.73 -4.98 118.95 118.52 2bu1 s ARG 49 Ca 0.05 -0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 2bu1 s ARG 49 Cb -0.05 0.17 0.14 0.00 -1.56 0.00 0.00 34.95 33.65 2bu1 s ARG 49 CO -0.00 -0.09 1.29 -1.14 -0.81 0.00 0.00 175.30 174.54 2bu1 s GLN 50 N -1.13 3.82 0.02 5.12 2.00 -1.26 -0.41 119.66 127.82 2bu1 s GLN 50 Ca -0.12 -2.10 0.09 0.00 -2.00 0.00 0.00 55.36 51.23 2bu1 s GLN 50 Cb -0.07 -5.01 0.37 0.00 0.80 0.00 0.00 33.01 29.10 2bu1 s GLN 50 CO 0.01 -1.80 1.27 -1.13 -0.50 0.00 0.00 175.29 173.14 2bu1 n SER 51 N 6.30 0.04 -3.00 6.67 3.41 -1.18 -4.81 113.62 121.05 2bu1 n SER 51 Ca 0.30 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 59.33 2bu1 n SER 51 Cb 0.46 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2bu1 n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bu1 s SER 52 N -3.07 0.10 0.29 4.04 0.15 -1.23 -4.97 113.70 109.00 2bu1 s SER 52 Ca 0.03 -1.17 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 2bu1 s SER 52 Cb 0.05 0.83 0.42 0.00 -1.71 0.00 0.00 66.02 65.61 2bu1 s SER 52 CO 0.15 -1.64 1.82 0.00 1.20 0.00 0.00 173.24 174.78 2bu1 h ALA 53 N 2.01 1.22 -0.04 5.45 0.00 -2.04 -3.30 119.26 122.57 2bu1 h ALA 53 Ca -0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2bu1 h ALA 53 Cb 1.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2bu1 h ALA 53 CO 0.40 0.53 -0.02 1.04 0.00 0.00 0.00 179.25 181.20 2bu1 n GLN 54 N -4.27 1.54 -4.14 0.00 6.02 -1.26 -4.98 117.38 110.29 2bu1 n GLN 54 Ca 0.03 -2.65 -0.11 0.00 -0.01 0.00 0.00 57.00 54.26 2bu1 n GLN 54 Cb 0.24 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.75 1.03 0.01 1.08 0.02 -1.24 -1.87 114.94 111.22 2bu1 s ASN 55 Ca 0.34 -0.93 0.04 0.00 -1.02 0.00 0.00 52.86 51.28 2bu1 s ASN 55 Cb 0.29 0.10 -0.01 0.00 0.02 0.00 0.00 41.25 41.65 2bu1 s ASN 55 CO 0.03 -0.44 -0.11 -0.13 0.02 0.00 0.00 177.10 176.48 2bu1 s ARG 56 N -3.48 0.82 -0.08 -0.60 0.52 -0.63 -3.12 118.95 112.37 2bu1 s ARG 56 Ca 0.08 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2bu1 s ARG 56 Cb 0.03 -0.78 0.02 0.00 0.52 0.00 0.00 34.95 34.74 2bu1 s ARG 56 CO -0.04 0.20 -0.07 0.21 0.02 0.00 0.00 175.30 175.62 2bu1 s LYS 57 N -0.65 1.28 -0.14 3.54 2.20 0.45 -1.20 119.74 125.22 2bu1 s LYS 57 Ca 0.02 -0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 2bu1 s LYS 57 Cb -0.06 -1.26 -0.05 0.00 -1.51 0.00 0.00 37.83 34.96 2bu1 s LYS 57 CO 0.00 -0.13 0.25 0.71 -0.36 0.00 0.00 175.35 175.82 2bu1 s TYR 58 N 1.22 3.51 -0.21 4.03 1.51 -0.13 -1.77 117.35 125.50 2bu1 s TYR 58 Ca -0.05 0.59 0.01 0.00 -1.01 0.00 0.00 57.07 56.61 2bu1 s TYR 58 Cb -0.14 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2bu1 s TYR 58 CO -0.02 0.38 -0.16 0.99 -1.11 0.00 0.00 175.55 175.64 2bu1 s THR 59 N -0.00 2.22 -0.03 -0.71 2.01 -0.31 -1.17 115.64 117.64 2bu1 s THR 59 Ca 0.16 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2bu1 s THR 59 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2bu1 s THR 59 CO 0.04 0.34 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.45 2bu1 s ILE 60 N 1.25 1.85 -0.01 1.82 1.01 -0.31 -1.64 121.20 125.16 2bu1 s ILE 60 Ca 0.01 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2bu1 s ILE 60 Cb -0.15 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2bu1 s ILE 60 CO -0.10 0.52 -0.07 -0.75 0.00 0.00 0.00 174.94 174.55 2bu1 s LYS 61 N -0.40 0.55 -0.03 2.79 2.20 -0.41 -1.19 119.74 123.24 2bu1 s LYS 61 Ca 0.05 -0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 2bu1 s LYS 61 Cb -0.10 -0.53 0.01 0.00 -1.51 0.00 0.00 37.83 35.69 2bu1 s LYS 61 CO 0.00 0.14 -0.08 0.08 -0.36 0.00 0.00 175.35 175.13 2bu1 s VAL 62 N -0.13 0.76 -0.18 4.02 1.01 -0.54 -0.78 120.40 124.55 2bu1 s VAL 62 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2bu1 s VAL 62 Cb -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2bu1 s VAL 62 CO -0.00 0.25 -0.18 -1.61 0.00 0.00 0.00 175.10 173.55 2bu1 s GLU 63 N 0.35 3.03 -0.29 2.72 2.02 0.87 -1.24 118.70 126.16 2bu1 s GLU 63 Ca -0.05 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 2bu1 s GLU 63 Cb -0.10 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.55 2bu1 s GLU 63 CO 0.01 -0.20 0.02 0.08 0.02 0.00 0.00 175.26 175.19 2bu1 s VAL 64 N 1.28 3.35 0.31 2.63 1.01 -0.49 -2.23 120.40 126.25 2bu1 s VAL 64 Ca 0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 2bu1 s VAL 64 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2bu1 s VAL 64 CO -0.11 0.03 0.55 -2.16 0.00 0.00 0.00 175.10 173.41 2bu1 s PRO 65 N 1.37 3.57 -0.49 2.72 0.04 -1.26 -0.86 135.00 140.09 2bu1 s PRO 65 Ca -0.01 -0.12 -0.08 0.00 0.04 0.00 0.00 61.00 60.83 2bu1 s PRO 65 Cb -0.18 -2.66 0.13 0.00 0.04 0.00 0.00 34.50 31.83 2bu1 s PRO 65 CO -0.01 0.19 0.35 0.21 0.04 0.00 0.00 177.00 177.79 2bu1 s LYS 66 N -3.82 2.47 0.53 4.56 2.47 -0.20 -4.99 119.74 120.77 2bu1 s LYS 66 Ca 0.42 -1.86 -0.21 0.00 -1.56 0.00 0.00 55.97 52.77 2bu1 s LYS 66 Cb -0.10 -3.89 -0.06 0.00 -1.46 0.00 0.00 37.83 32.32 2bu1 s LYS 66 CO 0.32 -1.18 1.20 0.14 0.16 0.00 0.00 175.35 175.99 2bu1 s VAL 67 N 1.18 2.81 0.14 4.02 -7.23 -1.26 -0.03 120.40 120.04 2bu1 s VAL 67 Ca 0.07 0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 60.56 2bu1 s VAL 67 Cb -0.25 -3.26 0.07 0.00 0.56 0.00 0.00 36.38 33.50 2bu1 s VAL 67 CO -0.02 -0.06 0.73 0.00 -0.31 0.00 0.00 175.10 175.45 2bu1 s ALA 68 N -1.56 -1.58 -0.25 1.32 0.00 -0.64 -4.69 121.76 114.36 2bu1 s ALA 68 Ca 0.71 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 2bu1 s ALA 68 Cb -0.30 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2bu1 s ALA 68 CO 0.35 -0.84 -0.03 0.99 0.00 0.00 0.00 175.76 176.23 2bu1 s THR 69 N -3.58 3.24 -0.07 0.00 2.01 -1.26 -1.10 115.64 114.88 2bu1 s THR 69 Ca 0.05 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2bu1 s THR 69 Cb -0.02 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2bu1 s THR 69 CO -0.06 0.27 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.46 2bu1 s GLN 70 N 1.41 2.80 -0.52 4.92 0.74 -0.52 -4.91 119.66 123.58 2bu1 s GLN 70 Ca 0.03 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 54.64 2bu1 s GLN 70 Cb -0.16 -2.56 0.06 0.00 1.10 0.00 0.00 33.01 31.45 2bu1 s GLN 70 CO -0.03 0.59 0.69 0.99 -0.55 0.00 0.00 175.29 176.98 2bu1 s THR 71 N -0.62 4.78 -0.25 -0.34 2.01 -1.26 -0.77 115.64 119.19 2bu1 s THR 71 Ca 0.09 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 2bu1 s THR 71 Cb -0.11 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.05 2bu1 s THR 71 CO 0.02 -0.88 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.36 2bu1 s VAL 72 N 2.89 3.37 -1.50 3.82 1.01 -0.21 -4.58 120.40 125.21 2bu1 s VAL 72 Ca 0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2bu1 s VAL 72 Cb -0.18 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2bu1 s VAL 72 CO 0.13 0.25 0.27 0.61 0.00 0.00 0.00 175.10 176.36 2bu1 n GLY 73 N 4.77 -0.40 1.99 4.51 0.00 -1.26 -2.40 105.19 112.41 2bu1 n GLY 73 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.23 1.63 3.55 -0.02 0.00 -1.26 -5.04 105.19 102.82 2bu1 n GLY 74 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.87 3.44 -0.22 1.61 1.01 -1.01 -5.06 120.40 117.30 2bu1 s VAL 75 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2bu1 s VAL 75 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2bu1 s VAL 75 CO 0.00 0.44 0.74 -1.61 0.00 0.00 0.00 175.10 174.67 2bu1 s GLU 76 N -1.24 4.20 -0.01 2.72 2.02 -1.26 -1.04 118.70 124.08 2bu1 s GLU 76 Ca 0.15 0.79 0.08 0.00 0.02 0.00 0.00 54.97 56.01 2bu1 s GLU 76 Cb -0.11 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 2bu1 s GLU 76 CO 0.05 -0.38 -0.25 -0.51 0.02 0.00 0.00 175.26 174.20 2bu1 s LEU 77 N 2.36 2.07 -0.15 1.80 1.43 0.05 -4.96 118.68 121.28 2bu1 s LEU 77 Ca 0.32 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2bu1 s LEU 77 Cb -0.16 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2bu1 s LEU 77 CO 0.09 0.30 1.15 -2.16 0.23 0.00 0.00 176.35 175.96 2bu1 s PRO 78 N -0.70 4.29 0.27 1.29 0.04 -1.26 -1.44 135.00 137.49 2bu1 s PRO 78 Ca 0.10 1.53 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2bu1 s PRO 78 Cb -0.10 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2bu1 s PRO 78 CO -0.00 -0.57 0.21 1.55 0.04 0.00 0.00 177.00 178.22 2bu1 n VAL 79 N 5.07 0.00 -4.05 -0.36 3.14 -0.26 -4.73 118.33 117.14 2bu1 n VAL 79 Ca 0.12 -1.92 -0.33 0.00 -2.96 0.00 0.00 64.34 59.25 2bu1 n VAL 79 Cb 0.46 0.92 -0.15 0.00 -1.06 0.00 0.00 33.84 34.01 2bu1 n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2bu1 s ALA 80 N -3.04 2.50 0.25 1.55 0.00 -1.24 -1.63 121.76 120.15 2bu1 s ALA 80 Ca 0.29 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 2bu1 s ALA 80 Cb 0.01 -1.41 0.43 0.00 0.00 0.00 0.00 23.12 22.15 2bu1 s ALA 80 CO 0.21 -0.60 1.79 0.00 0.00 0.00 0.00 175.76 177.16 2bu1 h ALA 81 N 7.95 1.16 -2.25 0.00 0.00 -0.72 -3.46 119.26 121.94 2bu1 h ALA 81 Ca -0.38 0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.78 2bu1 h ALA 81 Cb 1.12 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2bu1 h ALA 81 CO 0.59 -0.00 0.52 1.67 0.00 0.00 0.00 179.25 182.03 2bu1 s TRP 82 N -6.02 -0.13 0.04 0.00 1.48 -1.25 -5.02 118.94 108.05 2bu1 s TRP 82 Ca -0.12 -0.15 0.03 0.00 -1.06 0.00 0.00 56.10 54.79 2bu1 s TRP 82 Cb 0.20 0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 33.11 2bu1 s TRP 82 CO 0.78 -0.76 -0.10 1.03 -4.06 0.00 0.00 176.95 173.84 2bu1 s ARG 83 N -3.19 0.63 -0.09 3.25 0.52 -1.26 -1.03 118.95 117.77 2bu1 s ARG 83 Ca 0.12 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.59 2bu1 s ARG 83 Cb -0.01 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 2bu1 s ARG 83 CO 0.01 0.11 0.02 0.45 0.02 0.00 0.00 175.30 175.91 2bu1 s SER 84 N -1.34 5.36 -0.03 0.23 0.15 -0.04 -4.96 113.70 113.06 2bu1 s SER 84 Ca -0.05 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.83 2bu1 s SER 84 Cb -0.09 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.67 2bu1 s SER 84 CO 0.01 0.38 -0.22 -0.31 1.20 0.00 0.00 173.24 174.30 2bu1 s TYR 85 N -0.87 2.04 -0.20 3.44 1.51 -1.26 -1.40 117.35 120.61 2bu1 s TYR 85 Ca 0.13 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 2bu1 s TYR 85 Cb -0.11 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2bu1 s TYR 85 CO 0.02 -0.11 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.02 2bu1 s LEU 86 N -0.31 2.43 -0.17 -1.29 2.96 -0.38 -4.99 118.68 116.93 2bu1 s LEU 86 Ca 0.03 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 2bu1 s LEU 86 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.06 2bu1 s LEU 86 CO 0.01 -0.03 -0.17 0.20 -1.32 0.00 0.00 176.35 175.03 2bu1 s ASN 87 N 1.30 3.40 -0.00 3.68 -0.87 -1.26 -1.47 114.94 119.71 2bu1 s ASN 87 Ca 0.03 -0.56 0.03 0.00 -1.57 0.00 0.00 52.86 50.79 2bu1 s ASN 87 Cb -0.14 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.25 39.56 2bu1 s ASN 87 CO -0.10 0.04 -0.09 0.00 -2.57 0.00 0.00 177.10 174.38 2bu1 s MET 88 N 1.05 0.71 -0.07 -0.60 0.23 -0.34 -5.02 119.30 115.26 2bu1 s MET 88 Ca -0.01 -0.37 0.03 0.00 -1.03 0.00 0.00 55.69 54.31 2bu1 s MET 88 Cb -0.14 -0.68 0.01 0.00 -1.53 0.00 0.00 34.83 32.48 2bu1 s MET 88 CO -0.05 0.18 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.75 2bu1 s GLU 89 N -0.35 2.09 -0.18 3.16 2.02 -1.26 -1.16 118.70 123.02 2bu1 s GLU 89 Ca 0.02 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.46 2bu1 s GLU 89 Cb -0.04 -1.67 0.03 0.00 0.10 0.00 0.00 34.13 32.55 2bu1 s GLU 89 CO -0.00 0.09 -0.14 -1.17 0.02 0.00 0.00 175.26 174.06 2bu1 s LEU 90 N 0.51 2.08 -0.28 1.80 2.96 -0.32 -4.96 118.68 120.47 2bu1 s LEU 90 Ca -0.15 -0.70 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 2bu1 s LEU 90 Cb -0.16 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 2bu1 s LEU 90 CO 0.05 -0.07 0.12 -0.89 -1.32 0.00 0.00 176.35 174.23 2bu1 s THR 91 N 1.39 4.57 -0.10 3.68 2.01 -1.26 -0.96 115.64 124.97 2bu1 s THR 91 Ca 0.02 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2bu1 s THR 91 Cb -0.14 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2bu1 s THR 91 CO -0.10 0.22 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.20 2bu1 s ILE 92 N 1.64 1.94 0.49 1.82 1.01 -0.34 -4.96 121.20 122.79 2bu1 s ILE 92 Ca 0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 2bu1 s ILE 92 Cb -0.16 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 2bu1 s ILE 92 CO 0.06 0.53 1.21 -2.16 0.00 0.00 0.00 174.94 174.57 2bu1 s PRO 93 N 0.41 3.54 0.28 2.79 0.04 -1.26 -1.61 135.00 139.19 2bu1 s PRO 93 Ca -0.18 1.86 0.20 0.00 0.04 0.00 0.00 61.00 62.92 2bu1 s PRO 93 Cb -0.18 -2.31 1.04 0.00 0.04 0.00 0.00 34.50 33.10 2bu1 s PRO 93 CO 0.08 -0.76 1.61 0.44 0.04 0.00 0.00 177.00 178.41 2bu1 n ILE 94 N -0.75 1.10 1.49 0.56 -5.35 -0.78 -1.84 119.36 113.78 2bu1 n ILE 94 Ca 0.09 0.64 0.14 0.00 -0.27 0.00 0.00 62.75 63.36 2bu1 n ILE 94 Cb 0.48 -1.63 0.67 0.00 -1.74 0.00 0.00 39.64 37.41 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 -2.18 0.00 -2.39 4.28 3.72 -1.26 -4.85 117.46 114.78 2bu1 n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2bu1 n PHE 95 Cb 0.06 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.40 3.47 0.97 4.37 0.00 -0.77 -5.03 121.76 122.38 2bu1 s ALA 96 Ca 0.32 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 2bu1 s ALA 96 Cb 0.20 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 20.04 2bu1 s ALA 96 CO 0.45 -0.65 1.32 0.95 0.00 0.00 0.00 175.76 177.83 2bu1 s THR 97 N 1.74 2.00 0.31 0.00 -4.23 -1.26 -4.85 115.64 109.36 2bu1 s THR 97 Ca 0.59 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2bu1 s THR 97 Cb -0.28 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 70.80 2bu1 s THR 97 CO 0.26 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 176.98 2bu1 h ASN 98 N -1.63 0.64 0.71 3.99 4.21 -1.99 -2.07 115.58 119.44 2bu1 h ASN 98 Ca -0.43 -0.11 -0.11 0.00 1.21 0.00 0.00 56.30 56.86 2bu1 h ASN 98 Cb 1.22 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 2bu1 h ASN 98 CO 0.32 0.65 -0.52 0.77 -1.29 0.00 0.00 177.43 177.36 2bu1 h SER 99 N 0.67 0.00 -0.28 5.81 4.64 -1.99 -1.75 113.55 120.65 2bu1 h SER 99 Ca 0.15 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 2bu1 h SER 99 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2bu1 h SER 99 CO 0.00 0.52 -0.27 0.44 -0.87 0.00 0.00 176.83 176.65 2bu1 h ASP 100 N 0.00 0.80 0.24 4.97 3.32 -1.74 -2.81 116.42 121.18 2bu1 h ASP 100 Ca -0.01 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 2bu1 h ASP 100 Cb 1.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2bu1 h ASP 100 CO 0.07 1.02 -0.52 0.00 -1.72 0.00 0.00 179.24 178.09 2bu1 h GLU 102 N 0.25 0.22 -0.64 0.00 5.08 -1.20 -1.71 114.58 116.58 2bu1 h GLU 102 Ca 0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2bu1 h GLU 102 Cb 1.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2bu1 h GLU 102 CO 0.08 0.39 0.04 1.25 -1.00 0.00 0.00 179.01 179.77 2bu1 h LEU 103 N 0.21 1.07 -0.40 1.33 5.85 -1.23 -1.02 115.31 121.10 2bu1 h LEU 103 Ca 0.04 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 2bu1 h LEU 103 Cb 0.41 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2bu1 h LEU 103 CO 0.03 1.09 -0.03 0.40 -0.34 0.00 0.00 178.44 179.59 2bu1 h ILE 104 N 1.01 1.27 -0.36 4.05 2.04 -1.20 -1.70 117.51 122.61 2bu1 h ILE 104 Ca 0.19 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 2bu1 h ILE 104 Cb 0.52 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2bu1 h ILE 104 CO 0.02 0.36 0.21 0.58 0.00 0.00 0.00 178.15 179.33 2bu1 h VAL 105 N 0.56 1.13 -0.89 1.67 2.07 -1.09 -2.09 116.25 117.61 2bu1 h VAL 105 Ca 0.11 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2bu1 h VAL 105 Cb 0.52 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2bu1 h VAL 105 CO 0.03 0.13 0.59 0.11 0.02 0.00 0.00 177.57 178.45 2bu1 h LYS 106 N 0.47 1.18 -0.76 1.57 1.57 -1.09 -1.70 116.57 117.81 2bu1 h LYS 106 Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2bu1 h LYS 106 Cb 0.02 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2bu1 h LYS 106 CO -0.02 0.78 0.30 0.00 -0.57 0.00 0.00 179.45 179.94 2bu1 h ALA 107 N 1.44 1.10 -0.21 3.86 0.00 -0.91 -0.11 119.26 124.44 2bu1 h ALA 107 Ca 0.33 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2bu1 h ALA 107 Cb -0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2bu1 h ALA 107 CO -0.07 0.64 -0.41 0.52 0.00 0.00 0.00 179.25 179.93 2bu1 h MET 108 N 1.10 0.48 -0.30 0.00 2.86 -0.75 -1.17 114.93 117.15 2bu1 h MET 108 Ca 0.25 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2bu1 h MET 108 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2bu1 h MET 108 CO -0.02 0.81 -0.52 1.96 1.06 0.00 0.00 176.91 180.19 2bu1 h GLN 109 N 0.40 0.87 -0.25 1.72 4.20 -0.92 -3.05 115.11 118.08 2bu1 h GLN 109 Ca 0.03 -0.54 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 2bu1 h GLN 109 Cb 0.88 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 2bu1 h GLN 109 CO 0.07 1.18 -0.28 0.78 -0.67 0.00 0.00 178.83 179.91 2bu1 h GLY 110 N 0.73 0.53 0.86 3.46 0.00 -0.90 -2.45 103.07 105.30 2bu1 h GLY 110 Ca 0.02 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.95 2bu1 h GLY 110 CO 0.12 0.41 0.65 -2.00 0.00 0.00 0.00 176.54 175.71 2bu1 h LEU 111 N 0.42 1.07 -2.33 3.11 5.85 -1.11 -3.07 115.31 119.25 2bu1 h LEU 111 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2bu1 h LEU 111 Cb 0.71 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2bu1 h LEU 111 CO 0.05 0.72 0.00 0.18 -0.34 0.00 0.00 178.44 179.06 2bu1 n LEU 112 N -4.45 3.38 -4.78 2.25 4.77 -1.12 -4.36 117.00 112.70 2bu1 n LEU 112 Ca 0.14 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.20 2bu1 n LEU 112 Cb 0.12 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2bu1 n LEU 112 CO 0.34 0.73 1.08 -0.75 -1.33 0.00 0.00 177.39 177.46 2bu1 s LYS 113 N -1.43 4.14 0.29 3.23 2.20 -0.94 -4.79 119.74 122.43 2bu1 s LYS 113 Ca 0.37 2.44 -0.29 0.00 -0.36 0.00 0.00 55.97 58.13 2bu1 s LYS 113 Cb 0.22 -2.96 -0.14 0.00 -1.51 0.00 0.00 37.83 33.44 2bu1 s LYS 113 CO 0.30 -0.46 1.18 -0.25 -0.36 0.00 0.00 175.35 175.76 2bu1 n ASP 114 N 0.48 2.01 0.00 1.43 8.00 -1.26 -2.05 116.55 125.16 2bu1 n ASP 114 Ca 0.01 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2bu1 n ASP 114 Cb 0.40 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 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 1.30 3.26 3.84 0.44 0.00 -1.26 -5.05 105.19 107.72 2bu1 n GLY 115 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.70 5.67 0.09 1.61 0.01 -0.87 -4.90 114.94 115.85 2bu1 s ASN 116 Ca 0.00 1.49 -0.21 0.00 -0.71 0.00 0.00 52.86 53.43 2bu1 s ASN 116 Cb 0.00 -2.43 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 2bu1 s ASN 116 CO 0.00 -1.24 1.35 -0.65 -1.51 0.00 0.00 177.10 175.05 2bu1 h PRO 117 N -0.58 -0.17 0.24 -0.60 0.11 -1.89 -2.55 132.00 126.56 2bu1 h PRO 117 Ca -0.44 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2bu1 h PRO 117 Cb 1.21 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2bu1 h PRO 117 CO 0.59 -0.11 -0.18 0.82 -0.21 0.00 0.00 178.00 178.90 2bu1 h ILE 118 N -0.18 0.60 0.00 4.15 2.04 -1.95 -1.16 117.51 121.02 2bu1 h ILE 118 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2bu1 h ILE 118 Cb 0.35 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2bu1 h ILE 118 CO -0.46 0.00 -0.07 1.55 0.00 0.00 0.00 178.15 179.17 2bu1 h PRO 119 N -0.43 0.00 -0.39 2.37 0.13 -1.75 -2.36 132.00 129.57 2bu1 h PRO 119 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 2bu1 h PRO 119 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2bu1 h PRO 119 CO -0.01 0.07 -0.35 0.77 -0.23 0.00 0.00 178.00 178.26 2bu1 h SER 120 N 0.00 0.98 -0.05 1.44 0.02 -0.98 -2.19 113.55 112.77 2bu1 h SER 120 Ca -0.00 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2bu1 h SER 120 Cb 0.17 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2bu1 h SER 120 CO 0.01 1.23 -0.00 0.00 -1.14 0.00 0.00 176.83 176.93 2bu1 h ALA 121 N 0.77 0.07 -0.12 3.77 0.00 -0.75 -2.86 119.26 120.14 2bu1 h ALA 121 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2bu1 h ALA 121 Cb 0.94 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2bu1 h ALA 121 CO 0.09 -0.26 -0.06 0.82 0.00 0.00 0.00 179.25 179.84 2bu1 h ILE 122 N -0.21 0.81 0.00 0.00 2.04 -1.46 -1.60 117.51 117.09 2bu1 h ILE 122 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2bu1 h ILE 122 Cb 0.34 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2bu1 h ILE 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2bu1 h ALA 123 N 1.07 1.00 -0.41 1.87 0.00 -1.42 -2.28 119.26 119.10 2bu1 h ALA 123 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bu1 h ALA 123 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bu1 h ALA 123 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2bu1 n ALA 124 N -2.03 2.38 -3.84 0.00 0.00 -0.73 -4.97 120.51 111.33 2bu1 n ALA 124 Ca -0.02 -1.36 -0.26 0.00 0.00 0.00 0.00 53.44 51.81 2bu1 n ALA 124 Cb 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 0.56 -2.48 -4.29 0.00 3.02 -0.86 -4.97 115.26 106.24 2bu1 n ASN 125 Ca 0.16 -0.84 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 2bu1 n ASN 125 Cb 0.55 -3.80 -0.10 0.00 -0.61 0.00 0.00 39.78 35.81 2bu1 n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bu1 s SER 126 N -3.93 0.94 0.08 6.41 0.15 -0.68 -5.06 113.70 111.61 2bu1 s SER 126 Ca 0.28 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.55 2bu1 s SER 126 Cb -0.14 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2bu1 s SER 126 CO 0.83 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2bu1 n GLY 127 N -0.42 1.56 3.74 9.45 0.00 -1.26 -4.31 105.19 113.95 2bu1 n GLY 127 Ca 0.00 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 1.10 5.41 0.00 -0.61 -1.09 -1.26 -4.80 121.20 119.95 2bu1 s ILE 128 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2bu1 s ILE 128 Cb 0.00 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2bu1 s ILE 128 CO 0.00 0.45 0.00 0.00 -1.23 0.00 0.00 174.94 174.16