#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 5.33 0.00 0.00 0.15 -1.26 -4.83 113.70 113.10 2bu1 s SER 2 Ca 0.00 1.30 0.25 0.00 0.70 0.00 0.00 55.95 58.21 2bu1 s SER 2 Cb 0.00 -2.52 0.51 0.00 -1.71 0.00 0.00 66.02 62.30 2bu1 s SER 2 CO 0.00 -2.15 1.41 -0.46 1.20 0.00 0.00 173.24 173.24 2bu1 n ASN 3 N 12.36 1.48 -4.32 5.45 0.23 -1.26 -4.73 115.26 124.47 2bu1 n ASN 3 Ca 0.28 -1.20 -0.42 0.00 -0.53 0.00 0.00 54.58 52.72 2bu1 n ASN 3 Cb 0.49 0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 38.41 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 -0.28 4.11 -4.41 -2.53 7.35 -1.26 -4.89 117.46 115.55 2bu1 n PHE 4 Ca 0.12 -2.72 -0.20 0.00 -0.76 0.00 0.00 57.45 53.89 2bu1 n PHE 4 Cb 0.40 -2.58 -0.10 0.00 0.35 0.00 0.00 39.48 37.54 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 4.56 0.91 0.53 -2.13 -4.23 -1.26 -4.90 115.64 109.13 2bu1 s THR 5 Ca 0.54 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 2bu1 s THR 5 Cb 0.07 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 2bu1 s THR 5 CO 0.04 0.00 1.25 -1.58 -0.54 0.00 0.00 174.62 173.79 2bu1 s GLN 6 N -3.92 3.28 0.16 3.99 0.74 -1.26 -4.68 119.66 117.96 2bu1 s GLN 6 Ca 0.36 1.96 -0.20 0.00 0.05 0.00 0.00 55.36 57.54 2bu1 s GLN 6 Cb 0.08 -2.20 0.05 0.00 1.10 0.00 0.00 33.01 32.04 2bu1 s GLN 6 CO 0.15 -1.00 0.52 -0.59 -0.55 0.00 0.00 175.29 173.83 2bu1 s PHE 7 N -1.47 -0.35 -0.40 1.67 -0.71 -0.78 -5.00 117.98 110.95 2bu1 s PHE 7 Ca 0.71 0.07 -0.25 0.00 -1.04 0.00 0.00 56.93 56.42 2bu1 s PHE 7 Cb -0.34 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2bu1 s PHE 7 CO 0.39 -0.82 0.90 0.08 -1.34 0.00 0.00 175.22 174.43 2bu1 s VAL 8 N -3.79 4.57 -0.10 -2.49 1.01 -1.26 -1.24 120.40 117.10 2bu1 s VAL 8 Ca 0.03 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 2bu1 s VAL 8 Cb -0.00 -4.35 -0.28 0.00 0.00 0.00 0.00 36.38 31.75 2bu1 s VAL 8 CO -0.10 -0.62 0.65 0.25 0.00 0.00 0.00 175.10 175.28 2bu1 h LEU 9 N 10.18 0.35 -7.93 3.92 5.85 -1.41 -3.44 115.31 122.85 2bu1 h LEU 9 Ca -0.24 -0.87 -0.68 0.00 0.84 0.00 0.00 57.88 56.94 2bu1 h LEU 9 Cb 1.08 -0.12 -0.35 0.00 0.37 0.00 0.00 40.66 41.64 2bu1 h LEU 9 CO 0.99 1.50 -0.75 -0.69 -0.34 0.00 0.00 178.44 179.15 2bu1 s VAL 10 N -2.44 2.56 -0.57 1.05 1.01 -1.05 -4.99 120.40 115.98 2bu1 s VAL 10 Ca -0.19 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 2bu1 s VAL 10 Cb 0.03 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.94 2bu1 s VAL 10 CO 0.77 -0.12 0.89 -0.62 0.00 0.00 0.00 175.10 176.02 2bu1 s ASP 11 N 1.18 6.28 -0.28 3.32 -1.08 -1.26 -1.11 116.67 123.72 2bu1 s ASP 11 Ca -0.06 -0.59 0.12 0.00 -0.52 0.00 0.00 52.55 51.50 2bu1 s ASP 11 Cb -0.20 -2.41 0.68 0.00 -1.46 0.00 0.00 42.92 39.53 2bu1 s ASP 11 CO -0.03 -1.21 1.67 0.59 0.52 0.00 0.00 175.17 176.70 2bu1 n ASN 12 N 7.28 4.44 0.00 -0.34 3.02 -1.26 -4.90 115.26 123.50 2bu1 n ASN 12 Ca -0.01 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 2bu1 n ASN 12 Cb 0.47 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.27 0.91 1.35 7.41 0.00 -1.26 -4.11 105.19 109.22 2bu1 n GLY 13 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.93 2.71 3.27 -0.02 0.00 -1.26 -4.98 105.19 102.98 2bu1 n GLY 14 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2bu1 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bu1 s THR 15 N -1.62 3.63 0.00 2.61 -1.32 -1.26 -4.39 115.64 113.30 2bu1 s THR 15 Ca 0.00 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 2bu1 s THR 15 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 2bu1 s THR 15 CO 0.00 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2bu1 n GLY 16 N 4.79 0.99 3.77 6.08 0.00 -1.26 -4.74 105.19 114.81 2bu1 n GLY 16 Ca -0.13 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.27 4.90 -0.26 1.61 1.01 -1.26 -4.58 116.67 115.82 2bu1 s ASP 17 Ca 0.00 1.99 -0.01 0.00 0.71 0.00 0.00 52.55 55.24 2bu1 s ASP 17 Cb 0.00 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.42 2bu1 s ASP 17 CO 0.00 -1.77 -0.05 -0.69 0.21 0.00 0.00 175.17 172.87 2bu1 s VAL 18 N -2.43 2.84 -0.03 -1.27 1.01 -0.27 -4.98 120.40 115.26 2bu1 s VAL 18 Ca 0.66 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2bu1 s VAL 18 Cb -0.20 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2bu1 s VAL 18 CO 0.45 0.12 0.20 -0.89 0.00 0.00 0.00 175.10 174.98 2bu1 s THR 19 N 1.29 5.40 -0.05 3.92 2.01 -1.26 -0.99 115.64 125.97 2bu1 s THR 19 Ca -0.02 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2bu1 s THR 19 Cb -0.17 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2bu1 s THR 19 CO -0.04 0.42 -0.20 0.54 -0.69 0.00 0.00 174.62 174.65 2bu1 s VAL 20 N -1.23 1.68 0.13 3.82 0.11 -0.37 -4.37 120.40 120.16 2bu1 s VAL 20 Ca 0.24 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.51 2bu1 s VAL 20 Cb -0.13 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2bu1 s VAL 20 CO 0.14 0.48 -0.19 0.00 -3.33 0.00 0.00 175.10 172.20 2bu1 s ALA 21 N -0.03 1.82 0.06 1.54 0.00 -0.52 -1.86 121.76 122.76 2bu1 s ALA 21 Ca -0.04 -1.34 -0.37 0.00 0.00 0.00 0.00 51.96 50.21 2bu1 s ALA 21 Cb -0.12 -0.19 -0.17 0.00 0.00 0.00 0.00 23.12 22.63 2bu1 s ALA 21 CO 0.03 0.27 1.35 -2.30 0.00 0.00 0.00 175.76 175.11 2bu1 n PRO 22 N 0.71 1.07 0.00 0.00 -0.02 -1.26 -1.44 135.00 134.06 2bu1 n PRO 22 Ca -0.17 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2bu1 n PRO 22 Cb 0.55 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.61 0.25 -3.58 2.55 3.41 0.28 -4.84 113.62 114.30 2bu1 n SER 23 Ca 0.19 -0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2bu1 n SER 23 Cb 0.18 0.25 -0.05 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 -0.29 -0.37 0.00 4.04 3.84 -1.21 -4.99 114.94 115.96 2bu1 s ASN 24 Ca 0.00 0.41 0.00 0.00 0.21 0.00 0.00 52.86 53.48 2bu1 s ASN 24 Cb 0.00 0.31 0.00 0.00 -0.55 0.00 0.00 41.25 41.01 2bu1 s ASN 24 CO 0.00 -0.34 0.91 0.33 -2.79 0.00 0.00 177.10 175.21 2bu1 n PHE 25 N 0.74 0.00 -1.70 0.43 7.35 -1.26 -1.39 117.46 121.63 2bu1 n PHE 25 Ca -0.10 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.17 2bu1 n PHE 25 Cb 0.58 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 2bu1 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bu1 s ALA 26 N 0.00 3.79 -1.22 3.13 0.00 -1.26 -3.01 121.76 123.20 2bu1 s ALA 26 Ca 0.00 1.49 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 2bu1 s ALA 26 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2bu1 s ALA 26 CO 0.00 -1.20 0.02 0.09 0.00 0.00 0.00 175.76 174.67 2bu1 n ASN 27 N 5.49 -4.41 0.00 0.00 3.02 -1.26 -2.87 115.26 115.23 2bu1 n ASN 27 Ca 0.18 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2bu1 n ASN 27 Cb 0.38 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.03 2.13 3.51 7.41 0.00 -1.16 -4.96 105.19 111.09 2bu1 n GLY 28 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.97 4.57 0.24 1.61 1.01 -1.14 -4.67 120.40 119.06 2bu1 s VAL 29 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2bu1 s VAL 29 Cb 0.00 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2bu1 s VAL 29 CO 0.00 -0.94 0.98 0.00 0.00 0.00 0.00 175.10 175.14 2bu1 s ALA 30 N 3.46 3.35 0.03 5.51 0.00 -0.63 -4.00 121.76 129.48 2bu1 s ALA 30 Ca 0.26 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.95 2bu1 s ALA 30 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2bu1 s ALA 30 CO 0.18 0.11 -0.12 -2.00 0.00 0.00 0.00 175.76 173.93 2bu1 s GLU 31 N -1.16 0.83 0.00 0.00 2.12 -0.49 -1.20 118.70 118.82 2bu1 s GLU 31 Ca 0.42 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2bu1 s GLU 31 Cb -0.27 -0.81 -0.01 0.00 0.26 0.00 0.00 34.13 33.30 2bu1 s GLU 31 CO 0.34 0.20 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.59 2bu1 s TRP 32 N -0.82 0.77 0.04 5.30 0.51 0.70 -0.55 118.94 124.89 2bu1 s TRP 32 Ca 0.00 -0.20 -0.04 0.00 -2.12 0.00 0.00 56.10 53.75 2bu1 s TRP 32 Cb -0.07 -0.49 -0.02 0.00 -0.81 0.00 0.00 33.47 32.08 2bu1 s TRP 32 CO 0.01 -0.01 0.05 0.96 -0.51 0.00 0.00 176.95 177.44 2bu1 s ILE 33 N -0.38 0.16 0.83 2.03 -4.36 -0.52 -1.10 121.20 117.86 2bu1 s ILE 33 Ca 0.02 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 2bu1 s ILE 33 Cb -0.04 -1.02 0.13 0.00 1.25 0.00 0.00 42.46 42.77 2bu1 s ILE 33 CO -0.00 -0.71 1.17 -0.94 0.24 0.00 0.00 174.94 174.70 2bu1 s SER 34 N -2.33 4.03 -1.26 4.36 1.04 -0.67 -1.44 113.70 117.44 2bu1 s SER 34 Ca -0.02 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.63 2bu1 s SER 34 Cb 0.01 -0.72 0.12 0.00 0.10 0.00 0.00 66.02 65.53 2bu1 s SER 34 CO -0.06 -2.14 1.61 -0.24 0.98 0.00 0.00 173.24 173.39 2bu1 n SER 35 N -3.34 5.05 -3.25 7.02 2.88 -1.26 -4.78 113.62 115.95 2bu1 n SER 35 Ca 0.12 -2.95 -0.13 0.00 -1.33 0.00 0.00 58.87 54.57 2bu1 n SER 35 Cb 0.60 -1.65 -0.03 0.00 -0.75 0.00 0.00 64.21 62.38 2bu1 n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2bu1 s ASN 36 N 3.37 0.72 0.70 -3.46 0.01 -1.26 -5.07 114.94 109.95 2bu1 s ASN 36 Ca 0.48 -1.40 -0.13 0.00 -0.71 0.00 0.00 52.86 51.10 2bu1 s ASN 36 Cb 0.01 0.69 0.02 0.00 0.41 0.00 0.00 41.25 42.38 2bu1 s ASN 36 CO 0.03 -1.35 1.10 -0.94 -1.51 0.00 0.00 177.10 174.43 2bu1 s SER 37 N -3.20 4.93 0.38 -1.22 1.04 -1.26 -4.78 113.70 109.59 2bu1 s SER 37 Ca 0.28 1.89 0.28 0.00 0.48 0.00 0.00 55.95 58.87 2bu1 s SER 37 Cb -0.01 -2.53 1.19 0.00 0.10 0.00 0.00 66.02 64.76 2bu1 s SER 37 CO 0.18 -1.75 1.83 0.03 0.98 0.00 0.00 173.24 174.51 2bu1 h ARG 38 N -0.46 0.00 0.00 4.02 3.08 -1.96 -1.47 114.38 117.59 2bu1 h ARG 38 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 2bu1 h ARG 38 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2bu1 h ARG 38 CO 0.53 0.00 -0.05 0.66 -1.07 0.00 0.00 179.97 180.04 2bu1 h SER 39 N 0.00 0.00 -0.02 7.04 4.64 -1.97 -3.31 113.55 119.93 2bu1 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bu1 h SER 39 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2bu1 h SER 39 CO 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2bu1 n GLN 40 N -3.11 2.22 -1.97 4.77 6.02 -0.80 -4.99 117.38 119.52 2bu1 n GLN 40 Ca 0.04 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.00 55.39 2bu1 n GLN 40 Cb 0.54 -1.02 0.02 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.81 3.10 -0.15 -1.58 0.00 -0.62 -4.67 121.76 117.03 2bu1 s ALA 41 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2bu1 s ALA 41 Cb 0.01 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2bu1 s ALA 41 CO 0.01 -0.73 0.45 0.71 0.00 0.00 0.00 175.76 176.20 2bu1 s TYR 42 N -3.16 3.46 -0.02 0.00 1.51 -1.26 -4.36 117.35 113.52 2bu1 s TYR 42 Ca 0.55 0.79 0.05 0.00 -1.01 0.00 0.00 57.07 57.45 2bu1 s TYR 42 Cb -0.11 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.19 2bu1 s TYR 42 CO 0.52 0.11 -0.16 0.21 -1.11 0.00 0.00 175.55 175.12 2bu1 s LYS 43 N 0.85 1.44 -0.05 -0.62 2.20 -0.80 -1.67 119.74 121.10 2bu1 s LYS 43 Ca 0.23 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2bu1 s LYS 43 Cb -0.15 -1.34 0.02 0.00 -1.51 0.00 0.00 37.83 34.85 2bu1 s LYS 43 CO 0.09 0.31 -0.06 0.08 -0.36 0.00 0.00 175.35 175.40 2bu1 s VAL 44 N -0.22 0.69 0.08 4.02 1.01 -0.26 -0.55 120.40 125.16 2bu1 s VAL 44 Ca 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2bu1 s VAL 44 Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2bu1 s VAL 44 CO 0.00 0.26 -0.15 0.42 0.00 0.00 0.00 175.10 175.63 2bu1 s THR 45 N 0.86 1.23 -0.16 3.92 -4.23 -0.37 -0.22 115.64 116.68 2bu1 s THR 45 Ca -0.12 -1.34 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 2bu1 s THR 45 Cb -0.15 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.57 2bu1 s THR 45 CO 0.01 -0.18 0.43 0.00 -0.54 0.00 0.00 174.62 174.34 2bu1 s SER 47 N 0.17 -0.15 0.08 0.00 1.04 -0.80 -1.61 113.70 112.44 2bu1 s SER 47 Ca -0.00 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.20 2bu1 s SER 47 Cb -0.03 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2bu1 s SER 47 CO 0.01 -0.73 -0.14 -0.69 0.98 0.00 0.00 173.24 172.68 2bu1 s VAL 48 N -3.19 1.12 0.19 5.02 1.01 -1.26 -1.26 120.40 122.02 2bu1 s VAL 48 Ca -0.01 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 2bu1 s VAL 48 Cb 0.01 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.28 2bu1 s VAL 48 CO -0.07 -0.29 0.69 0.00 0.00 0.00 0.00 175.10 175.42 2bu1 s ARG 49 N -1.99 1.42 -0.55 2.72 1.70 -0.81 -4.99 118.95 116.45 2bu1 s ARG 49 Ca 0.00 -0.65 -0.18 0.00 -0.47 0.00 0.00 55.73 54.44 2bu1 s ARG 49 Cb -0.08 0.57 0.10 0.00 -0.57 0.00 0.00 34.95 34.96 2bu1 s ARG 49 CO 0.02 -0.63 0.60 -1.14 -1.08 0.00 0.00 175.30 173.07 2bu1 s GLN 50 N -3.73 3.03 0.29 3.89 2.00 -1.26 0.23 119.66 124.11 2bu1 s GLN 50 Ca 0.05 -1.35 0.07 0.00 -2.00 0.00 0.00 55.36 52.13 2bu1 s GLN 50 Cb -0.03 -4.23 0.45 0.00 0.80 0.00 0.00 33.01 30.00 2bu1 s GLN 50 CO -0.05 -1.37 1.69 0.66 -0.50 0.00 0.00 175.29 175.72 2bu1 h SER 51 N 9.02 0.23 -2.56 6.67 4.64 -1.77 -3.47 113.55 126.31 2bu1 h SER 51 Ca -0.29 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 2bu1 h SER 51 Cb 1.09 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2bu1 h SER 51 CO 1.04 0.64 0.07 -1.54 -0.87 0.00 0.00 176.83 176.17 2bu1 n SER 52 N -4.01 -1.21 0.21 4.97 3.41 -1.17 -5.00 113.62 110.82 2bu1 n SER 52 Ca -0.02 -2.07 0.05 0.00 -0.26 0.00 0.00 58.87 56.58 2bu1 n SER 52 Cb 0.49 2.08 0.45 0.00 -0.26 0.00 0.00 64.21 66.98 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 1.93 1.36 0.00 7.33 0.00 -2.04 -3.19 119.26 124.65 2bu1 h ALA 53 Ca -0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2bu1 h ALA 53 Cb 0.76 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2bu1 h ALA 53 CO 0.25 0.36 -1.77 0.94 0.00 0.00 0.00 179.25 179.04 2bu1 n GLN 54 N -3.96 0.65 -4.31 0.00 -0.06 -1.26 -4.87 117.38 103.57 2bu1 n GLN 54 Ca -0.02 -0.10 -0.20 0.00 -2.00 0.00 0.00 57.00 54.68 2bu1 n GLN 54 Cb 0.36 -1.60 -0.11 0.00 -4.06 0.00 0.00 30.24 24.83 2bu1 n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2bu1 s ASN 55 N -4.80 2.44 0.12 1.69 0.01 -1.21 -0.54 114.94 112.66 2bu1 s ASN 55 Ca -0.06 -0.90 0.10 0.00 -0.71 0.00 0.00 52.86 51.29 2bu1 s ASN 55 Cb 0.12 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.62 2bu1 s ASN 55 CO 0.88 -0.11 -0.25 -0.13 -1.51 0.00 0.00 177.10 175.97 2bu1 s ARG 56 N -3.05 1.52 -0.04 -0.60 0.52 -0.60 -2.30 118.95 114.40 2bu1 s ARG 56 Ca 0.16 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2bu1 s ARG 56 Cb -0.04 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.50 2bu1 s ARG 56 CO 0.05 0.46 -0.02 0.21 0.02 0.00 0.00 175.30 176.03 2bu1 s LYS 57 N -2.03 0.53 -0.19 3.54 2.20 0.13 -1.37 119.74 122.56 2bu1 s LYS 57 Ca 0.15 0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.68 2bu1 s LYS 57 Cb -0.10 -0.68 -0.05 0.00 -1.51 0.00 0.00 37.83 35.50 2bu1 s LYS 57 CO 0.07 -0.14 0.13 0.71 -0.36 0.00 0.00 175.35 175.76 2bu1 s TYR 58 N 1.11 3.42 -0.22 4.03 1.51 -0.20 -1.92 117.35 125.08 2bu1 s TYR 58 Ca -0.08 0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2bu1 s TYR 58 Cb -0.14 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2bu1 s TYR 58 CO -0.01 0.33 -0.09 0.99 -1.11 0.00 0.00 175.55 175.66 2bu1 s THR 59 N 0.20 2.82 -0.11 -0.71 2.01 -0.38 -1.21 115.64 118.25 2bu1 s THR 59 Ca 0.09 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2bu1 s THR 59 Cb -0.11 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.09 2bu1 s THR 59 CO -0.01 0.37 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.47 2bu1 s ILE 60 N 1.37 1.73 -0.00 1.82 1.01 0.39 -1.90 121.20 125.60 2bu1 s ILE 60 Ca 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.97 2bu1 s ILE 60 Cb -0.15 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2bu1 s ILE 60 CO -0.06 0.49 -0.23 -0.54 0.00 0.00 0.00 174.94 174.59 2bu1 s LYS 61 N 0.79 1.79 -0.01 2.79 1.02 -0.58 -0.39 119.74 125.16 2bu1 s LYS 61 Ca -0.10 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.05 2bu1 s LYS 61 Cb -0.16 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.38 2bu1 s LYS 61 CO 0.01 0.48 -0.07 0.08 -0.92 0.00 0.00 175.35 174.92 2bu1 s VAL 62 N -0.60 0.61 -0.10 3.17 1.01 -0.36 -1.23 120.40 122.90 2bu1 s VAL 62 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2bu1 s VAL 62 Cb -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2bu1 s VAL 62 CO -0.00 0.19 -0.22 -1.61 0.00 0.00 0.00 175.10 173.46 2bu1 s GLU 63 N 0.02 2.82 -0.10 2.72 2.02 0.28 -0.59 118.70 125.88 2bu1 s GLU 63 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.22 2bu1 s GLU 63 Cb -0.05 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2bu1 s GLU 63 CO -0.00 0.13 -0.18 0.08 0.02 0.00 0.00 175.26 175.31 2bu1 s VAL 64 N 0.46 1.64 0.40 2.63 1.01 -0.68 -1.90 120.40 123.95 2bu1 s VAL 64 Ca -0.17 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 2bu1 s VAL 64 Cb -0.17 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 2bu1 s VAL 64 CO 0.07 0.47 1.00 -2.16 0.00 0.00 0.00 175.10 174.48 2bu1 s PRO 65 N 0.64 4.24 -0.07 2.72 0.04 -1.26 -1.12 135.00 140.18 2bu1 s PRO 65 Ca -0.14 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 2bu1 s PRO 65 Cb -0.16 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 2bu1 s PRO 65 CO 0.04 -0.05 1.03 0.21 0.04 0.00 0.00 177.00 178.27 2bu1 s LYS 66 N -2.62 4.44 -0.22 4.56 2.20 -0.36 -4.91 119.74 122.83 2bu1 s LYS 66 Ca 0.58 1.44 0.09 0.00 -0.36 0.00 0.00 55.97 57.72 2bu1 s LYS 66 Cb -0.18 -3.52 -0.21 0.00 -1.51 0.00 0.00 37.83 32.41 2bu1 s LYS 66 CO 0.23 -0.27 -0.05 0.28 -0.36 0.00 0.00 175.35 175.17 2bu1 n VAL 67 N 4.40 1.46 -1.68 4.02 0.31 -1.26 -4.73 118.33 120.85 2bu1 n VAL 67 Ca 0.08 -0.70 -0.44 0.00 -0.01 0.00 0.00 64.34 63.27 2bu1 n VAL 67 Cb 0.49 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 32.37 2bu1 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bu1 n ALA 68 N -3.01 1.82 -1.14 3.52 0.00 -1.26 -1.20 120.51 119.24 2bu1 n ALA 68 Ca -0.39 0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2bu1 n ALA 68 Cb 1.07 -2.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 2bu1 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bu1 n THR 69 N 4.51 0.00 -2.10 0.00 -2.24 -1.26 -4.99 114.28 108.20 2bu1 n THR 69 Ca 0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 2bu1 n THR 69 Cb 0.34 -0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 2bu1 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bu1 s GLN 70 N -1.90 4.01 -0.44 -0.78 0.74 -0.34 -5.00 119.66 115.95 2bu1 s GLN 70 Ca 0.00 2.11 -0.07 0.00 0.05 0.00 0.00 55.36 57.45 2bu1 s GLN 70 Cb 0.00 -2.77 0.10 0.00 1.10 0.00 0.00 33.01 31.44 2bu1 s GLN 70 CO 0.00 -0.44 0.28 0.99 -0.55 0.00 0.00 175.29 175.57 2bu1 s THR 71 N -1.27 3.95 -0.05 -0.34 2.01 -1.26 -5.06 115.64 113.62 2bu1 s THR 71 Ca 0.56 -1.73 -0.36 0.00 0.31 0.00 0.00 61.69 60.47 2bu1 s THR 71 Cb -0.37 -3.56 -0.14 0.00 0.01 0.00 0.00 72.50 68.44 2bu1 s THR 71 CO 0.48 -0.66 1.70 0.52 -0.69 0.00 0.00 174.62 175.97 2bu1 n VAL 72 N 4.83 0.30 -0.95 3.82 0.31 -1.26 -1.03 118.33 124.35 2bu1 n VAL 72 Ca -0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2bu1 n VAL 72 Cb 0.42 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2bu1 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bu1 n GLY 73 N 3.86 1.04 3.96 2.92 0.00 -1.26 -5.03 105.19 110.69 2bu1 n GLY 73 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2bu1 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bu1 s GLY 74 N -1.98 1.75 -0.35 -0.02 0.00 -0.19 -5.05 107.32 101.48 2bu1 s GLY 74 Ca 0.00 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.26 2bu1 s GLY 74 CO 0.00 -0.81 0.39 0.14 0.00 0.00 0.00 173.10 172.83 2bu1 s VAL 75 N -3.22 5.14 -0.24 1.40 1.01 -1.26 -5.00 120.40 118.21 2bu1 s VAL 75 Ca 0.64 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2bu1 s VAL 75 Cb -0.08 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2bu1 s VAL 75 CO 0.45 -0.13 -0.11 -1.61 0.00 0.00 0.00 175.10 173.69 2bu1 s GLU 76 N 2.09 2.52 0.13 2.72 2.02 -1.26 -5.10 118.70 121.82 2bu1 s GLU 76 Ca 0.13 -1.16 0.10 0.00 0.02 0.00 0.00 54.97 54.06 2bu1 s GLU 76 Cb -0.16 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 2bu1 s GLU 76 CO 0.12 -0.46 -0.24 -0.51 0.02 0.00 0.00 175.26 174.18 2bu1 s LEU 77 N 1.19 2.33 0.56 1.80 2.01 -1.26 -4.07 118.68 121.24 2bu1 s LEU 77 Ca -0.04 -0.74 -0.15 0.00 0.01 0.00 0.00 54.13 53.21 2bu1 s LEU 77 Cb -0.18 -1.09 -0.06 0.00 0.01 0.00 0.00 46.19 44.88 2bu1 s LEU 77 CO -0.06 0.13 1.02 -2.16 1.01 0.00 0.00 176.35 176.28 2bu1 s PRO 78 N -2.08 3.67 0.27 1.29 0.04 -1.26 -5.01 135.00 131.93 2bu1 s PRO 78 Ca 0.12 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.14 2bu1 s PRO 78 Cb -0.10 -2.09 0.47 0.00 0.04 0.00 0.00 34.50 32.82 2bu1 s PRO 78 CO 0.06 -0.51 1.87 0.28 0.04 0.00 0.00 177.00 178.73 2bu1 h VAL 79 N 0.51 1.02 0.00 -0.36 2.07 -2.01 -2.43 116.25 115.05 2bu1 h VAL 79 Ca -0.46 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2bu1 h VAL 79 Cb 1.20 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2bu1 h VAL 79 CO 0.60 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 178.38 2bu1 h ALA 80 N 1.49 1.14 0.00 1.67 0.00 -1.92 -1.99 119.26 119.65 2bu1 h ALA 80 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2bu1 h ALA 80 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bu1 h ALA 80 CO -0.21 0.02 -0.35 0.00 0.00 0.00 0.00 179.25 178.71 2bu1 n ALA 81 N -2.16 2.72 -0.13 0.00 0.00 -0.92 -4.02 120.51 116.01 2bu1 n ALA 81 Ca -0.02 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.29 2bu1 n ALA 81 Cb 0.13 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.40 2bu1 n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2bu1 n TRP 82 N -2.05 0.34 -3.85 0.00 7.02 -0.76 -4.93 117.44 113.20 2bu1 n TRP 82 Ca 0.05 -0.50 -0.12 0.00 -1.02 0.00 0.00 57.50 55.91 2bu1 n TRP 82 Cb 0.42 -0.03 -0.12 0.00 -2.42 0.00 0.00 31.31 29.16 2bu1 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2bu1 s ARG 83 N -1.00 0.25 -0.01 -0.99 0.52 -1.19 -1.22 118.95 115.31 2bu1 s ARG 83 Ca 0.17 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2bu1 s ARG 83 Cb 0.09 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 2bu1 s ARG 83 CO 0.11 -0.05 -0.06 -1.12 0.02 0.00 0.00 175.30 174.21 2bu1 s SER 84 N -0.45 4.69 -0.09 0.23 0.01 -0.28 -4.90 113.70 112.91 2bu1 s SER 84 Ca -0.05 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2bu1 s SER 84 Cb -0.03 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 65.07 2bu1 s SER 84 CO 0.00 0.30 -0.20 -0.31 0.41 0.00 0.00 173.24 173.45 2bu1 s TYR 85 N -0.96 2.18 -0.15 2.43 1.51 -1.26 -1.69 117.35 119.40 2bu1 s TYR 85 Ca 0.16 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 2bu1 s TYR 85 Cb -0.11 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2bu1 s TYR 85 CO 0.06 -0.39 -0.11 -1.17 -1.11 0.00 0.00 175.55 172.83 2bu1 s LEU 86 N 0.52 2.74 -0.19 -1.29 2.96 0.25 -5.00 118.68 118.68 2bu1 s LEU 86 Ca -0.16 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2bu1 s LEU 86 Cb -0.17 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.92 2bu1 s LEU 86 CO 0.06 0.11 -0.09 0.21 -1.32 0.00 0.00 176.35 175.32 2bu1 s ASN 87 N 0.66 3.22 -0.10 3.68 3.84 -1.26 -1.22 114.94 123.75 2bu1 s ASN 87 Ca -0.06 -0.81 0.03 0.00 0.21 0.00 0.00 52.86 52.23 2bu1 s ASN 87 Cb -0.15 -1.15 -0.01 0.00 -0.55 0.00 0.00 41.25 39.39 2bu1 s ASN 87 CO 0.02 -0.15 -0.20 -0.04 -2.79 0.00 0.00 177.10 173.94 2bu1 s MET 88 N 1.46 3.04 -0.10 0.43 -1.94 0.48 -5.01 119.30 117.66 2bu1 s MET 88 Ca -0.00 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.18 2bu1 s MET 88 Cb -0.16 -2.39 0.02 0.00 2.01 0.00 0.00 34.83 34.31 2bu1 s MET 88 CO -0.08 0.26 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.84 2bu1 s GLU 89 N 0.18 1.98 -0.22 2.03 2.02 -1.26 -0.47 118.70 122.97 2bu1 s GLU 89 Ca -0.12 -0.48 -0.00 0.00 0.02 0.00 0.00 54.97 54.40 2bu1 s GLU 89 Cb -0.16 -1.71 0.03 0.00 0.10 0.00 0.00 34.13 32.38 2bu1 s GLU 89 CO 0.06 -0.06 -0.12 -1.17 0.02 0.00 0.00 175.26 173.99 2bu1 s LEU 90 N 0.99 2.79 -0.26 1.80 2.96 -0.35 -4.97 118.68 121.63 2bu1 s LEU 90 Ca -0.07 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 2bu1 s LEU 90 Cb -0.15 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2bu1 s LEU 90 CO -0.01 -0.08 0.14 -0.89 -1.32 0.00 0.00 176.35 174.19 2bu1 s THR 91 N 1.29 4.90 -0.15 3.68 2.01 -1.26 -1.03 115.64 125.07 2bu1 s THR 91 Ca 0.01 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2bu1 s THR 91 Cb -0.16 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.07 2bu1 s THR 91 CO -0.08 0.30 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.40 2bu1 s ILE 92 N 1.60 1.45 0.50 1.82 1.01 -0.47 -4.98 121.20 122.13 2bu1 s ILE 92 Ca 0.07 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 2bu1 s ILE 92 Cb -0.15 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 2bu1 s ILE 92 CO 0.07 0.38 1.31 -2.65 0.00 0.00 0.00 174.94 174.06 2bu1 n PRO 93 N 4.80 1.80 0.06 2.79 -0.02 -1.26 -1.56 135.00 141.61 2bu1 n PRO 93 Ca -0.15 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 2bu1 n PRO 93 Cb 0.49 -2.50 0.21 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.70 1.44 1.26 4.25 -5.35 0.30 -1.85 119.36 118.72 2bu1 n ILE 94 Ca 0.09 0.59 0.14 0.00 -0.27 0.00 0.00 62.75 63.30 2bu1 n ILE 94 Cb 0.43 -1.59 0.53 0.00 -1.74 0.00 0.00 39.64 37.26 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 -1.74 0.00 -2.12 4.28 3.72 -1.26 -4.90 117.46 115.45 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 0.08 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.64 3.62 0.91 4.37 0.00 -0.77 -5.02 121.76 122.22 2bu1 s ALA 96 Ca 0.23 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2bu1 s ALA 96 Cb 0.19 -3.62 0.19 0.00 0.00 0.00 0.00 23.12 19.89 2bu1 s ALA 96 CO 0.52 -0.91 1.24 0.95 0.00 0.00 0.00 175.76 177.56 2bu1 s THR 97 N 2.20 2.02 0.25 0.00 -4.23 -1.26 -4.85 115.64 109.76 2bu1 s THR 97 Ca 0.67 -0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 2bu1 s THR 97 Cb -0.35 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 70.77 2bu1 s THR 97 CO 0.29 0.00 1.75 0.78 -0.54 0.00 0.00 174.62 176.90 2bu1 h ASN 98 N -1.37 0.82 -0.46 3.99 2.35 -1.98 -1.54 115.58 117.39 2bu1 h ASN 98 Ca -0.41 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2bu1 h ASN 98 Cb 1.23 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2bu1 h ASN 98 CO 0.35 0.87 0.27 0.28 -1.65 0.00 0.00 177.43 177.56 2bu1 h SER 99 N 0.80 0.55 -0.53 5.81 0.02 -1.99 0.57 113.55 118.79 2bu1 h SER 99 Ca 0.16 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2bu1 h SER 99 Cb 0.44 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2bu1 h SER 99 CO 0.02 0.45 0.34 0.44 -1.14 0.00 0.00 176.83 176.94 2bu1 h ASP 100 N 0.61 0.57 0.40 3.07 3.32 -1.83 -2.18 116.42 120.36 2bu1 h ASP 100 Ca 0.16 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2bu1 h ASP 100 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2bu1 h ASP 100 CO -0.03 0.40 -0.30 0.00 -1.72 0.00 0.00 179.24 177.60 2bu1 h GLU 102 N 0.00 0.78 -0.08 0.00 5.08 -0.31 -2.15 114.58 117.90 2bu1 h GLU 102 Ca -0.00 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 2bu1 h GLU 102 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2bu1 h GLU 102 CO 0.04 1.00 -0.46 1.25 -1.00 0.00 0.00 179.01 179.84 2bu1 h LEU 103 N 0.65 0.19 -0.82 1.33 6.46 -0.95 -2.25 115.31 119.92 2bu1 h LEU 103 Ca 0.07 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 2bu1 h LEU 103 Cb 0.88 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 2bu1 h LEU 103 CO 0.08 0.62 -0.25 0.40 -0.62 0.00 0.00 178.44 178.67 2bu1 h ILE 104 N 0.15 1.27 -0.34 4.05 2.04 -1.05 -1.93 117.51 121.70 2bu1 h ILE 104 Ca 0.01 -1.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.41 2bu1 h ILE 104 Cb 0.87 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2bu1 h ILE 104 CO 0.07 0.43 -0.34 0.58 0.00 0.00 0.00 178.15 178.89 2bu1 h VAL 105 N 0.52 1.28 -0.47 1.67 2.07 -1.08 -2.65 116.25 117.59 2bu1 h VAL 105 Ca 0.07 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 2bu1 h VAL 105 Cb 0.71 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2bu1 h VAL 105 CO 0.05 0.49 0.04 0.11 0.02 0.00 0.00 177.57 178.28 2bu1 h LYS 106 N 0.63 0.76 -0.56 1.57 1.57 -1.11 -1.26 116.57 118.18 2bu1 h LYS 106 Ca 0.07 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2bu1 h LYS 106 Cb 0.87 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2bu1 h LYS 106 CO 0.08 0.74 0.04 0.00 -0.57 0.00 0.00 179.45 179.74 2bu1 h ALA 107 N 1.33 1.03 -0.41 3.86 0.00 -1.12 0.19 119.26 124.14 2bu1 h ALA 107 Ca 0.15 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2bu1 h ALA 107 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2bu1 h ALA 107 CO 0.01 0.61 -0.29 0.52 0.00 0.00 0.00 179.25 180.10 2bu1 h MET 108 N 0.86 0.89 -0.48 0.00 2.86 -1.07 -0.93 114.93 117.06 2bu1 h MET 108 Ca 0.17 -0.41 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 2bu1 h MET 108 Cb 0.45 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2bu1 h MET 108 CO 0.02 1.07 -0.22 1.96 1.06 0.00 0.00 176.91 180.80 2bu1 h GLN 109 N 0.76 0.99 -0.51 1.72 4.20 -0.76 -2.95 115.11 118.54 2bu1 h GLN 109 Ca 0.08 -0.42 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 2bu1 h GLN 109 Cb 0.86 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2bu1 h GLN 109 CO 0.08 1.10 -0.04 0.78 -0.67 0.00 0.00 178.83 180.07 2bu1 h GLY 110 N 0.88 0.97 0.95 3.46 0.00 -0.47 -1.63 103.07 107.23 2bu1 h GLY 110 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 47.33 46.77 2bu1 h GLY 110 CO 0.07 0.65 0.62 -2.00 0.00 0.00 0.00 176.54 175.87 2bu1 h LEU 111 N 0.82 1.02 -2.38 3.11 5.85 -1.03 -3.00 115.31 119.70 2bu1 h LEU 111 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2bu1 h LEU 111 Cb 0.55 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2bu1 h LEU 111 CO 0.03 0.70 0.00 0.18 -0.34 0.00 0.00 178.44 179.01 2bu1 n LEU 112 N -4.44 3.41 -4.77 2.25 4.77 -1.10 -4.43 117.00 112.69 2bu1 n LEU 112 Ca 0.13 -1.58 -0.40 0.00 -0.03 0.00 0.00 56.01 54.13 2bu1 n LEU 112 Cb 0.10 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2bu1 n LEU 112 CO 0.35 0.76 1.05 -0.75 -1.33 0.00 0.00 177.39 177.47 2bu1 s LYS 113 N -1.35 3.71 0.19 3.23 2.20 -0.63 -4.79 119.74 122.30 2bu1 s LYS 113 Ca 0.37 2.38 -0.33 0.00 -0.36 0.00 0.00 55.97 58.04 2bu1 s LYS 113 Cb 0.22 -2.66 -0.15 0.00 -1.51 0.00 0.00 37.83 33.73 2bu1 s LYS 113 CO 0.30 -0.78 1.34 -3.47 -0.36 0.00 0.00 175.35 172.38 2bu1 n ASP 114 N -0.17 2.23 0.00 1.43 2.03 -1.26 -2.01 116.55 118.80 2bu1 n ASP 114 Ca 0.05 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2bu1 n ASP 114 Cb 0.42 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2bu1 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bu1 n GLY 115 N 2.30 3.35 3.84 0.27 0.00 -1.26 -5.06 105.19 108.64 2bu1 n GLY 115 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.02 5.72 0.13 1.61 0.01 -0.85 -4.88 114.94 115.67 2bu1 s ASN 116 Ca 0.00 1.55 -0.32 0.00 -0.71 0.00 0.00 52.86 53.38 2bu1 s ASN 116 Cb 0.00 -2.49 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 2bu1 s ASN 116 CO 0.00 -1.21 1.55 -0.65 -1.51 0.00 0.00 177.10 175.28 2bu1 h PRO 117 N -0.52 -0.37 0.38 -0.60 0.11 -1.89 -2.31 132.00 126.79 2bu1 h PRO 117 Ca -0.44 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bu1 h PRO 117 Cb 1.20 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2bu1 h PRO 117 CO 0.59 -0.25 -0.35 0.82 -0.21 0.00 0.00 178.00 178.60 2bu1 h ILE 118 N -0.39 0.27 -0.03 4.15 1.08 -1.95 -0.78 117.51 119.87 2bu1 h ILE 118 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2bu1 h ILE 118 Cb 0.59 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2bu1 h ILE 118 CO -0.60 0.00 -0.12 1.55 -0.69 0.00 0.00 178.15 178.29 2bu1 h PRO 119 N -0.75 0.04 -0.54 2.37 0.13 -1.77 -1.73 132.00 129.75 2bu1 h PRO 119 Ca -0.03 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2bu1 h PRO 119 Cb 0.67 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2bu1 h PRO 119 CO -0.05 0.16 -0.08 0.77 -0.23 0.00 0.00 178.00 178.57 2bu1 h SER 120 N 0.04 1.00 0.12 1.44 0.02 -1.04 -1.05 113.55 114.09 2bu1 h SER 120 Ca 0.01 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 2bu1 h SER 120 Cb 0.23 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2bu1 h SER 120 CO 0.02 1.11 -0.06 0.00 -1.14 0.00 0.00 176.83 176.75 2bu1 h ALA 121 N 0.93 -0.17 -0.33 3.77 0.00 -0.69 -2.32 119.26 120.45 2bu1 h ALA 121 Ca 0.14 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2bu1 h ALA 121 Cb 0.64 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2bu1 h ALA 121 CO 0.04 -0.45 0.07 0.82 0.00 0.00 0.00 179.25 179.74 2bu1 h ILE 122 N -0.45 0.85 0.00 0.00 2.04 -1.28 -0.09 117.51 118.57 2bu1 h ILE 122 Ca -0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2bu1 h ILE 122 Cb 0.36 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2bu1 h ILE 122 CO 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 178.15 178.15 2bu1 h ALA 123 N 1.24 1.12 -0.46 1.87 0.00 -1.18 -2.57 119.26 119.29 2bu1 h ALA 123 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bu1 h ALA 123 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bu1 h ALA 123 CO -0.20 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2bu1 n ALA 124 N -2.17 3.56 -3.51 0.00 0.00 -0.79 -4.93 120.51 112.68 2bu1 n ALA 124 Ca -0.01 -2.08 -0.26 0.00 0.00 0.00 0.00 53.44 51.09 2bu1 n ALA 124 Cb 0.22 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.19 -4.11 -4.70 0.00 3.02 -0.97 -4.94 115.26 103.76 2bu1 n ASN 125 Ca 0.25 -0.51 -0.32 0.00 -0.03 0.00 0.00 54.58 53.98 2bu1 n ASN 125 Cb 1.09 -3.37 -0.08 0.00 -0.61 0.00 0.00 39.78 36.81 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 -2.87 4.00 0.00 6.41 0.01 -0.12 -5.04 113.70 116.09 2bu1 s SER 126 Ca 0.47 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2bu1 s SER 126 Cb -0.24 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2bu1 s SER 126 CO 0.58 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2bu1 n GLY 127 N -1.20 5.25 3.80 3.44 0.00 -1.26 -4.28 105.19 110.93 2bu1 n GLY 127 Ca -0.17 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 1.76 5.37 0.00 -0.61 -1.09 -1.26 -4.79 121.20 120.58 2bu1 s ILE 128 Ca 0.00 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2bu1 s ILE 128 Cb 0.00 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 2bu1 s ILE 128 CO 0.00 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.25