#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qab s PRO 11 N 0.00 -1.15 -1.06 0.00 0.02 -1.26 -3.82 135.00 127.73 1qab s PRO 11 Ca 0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 61.00 60.69 1qab s PRO 11 Cb 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.90 1qab s PRO 11 CO 0.00 -3.62 0.07 -0.11 -0.33 0.00 0.00 177.00 173.00 1qab n LEU 12 N -4.65 -0.59 -4.62 -5.54 7.94 -0.30 -4.67 117.00 104.56 1qab n LEU 12 Ca 0.16 -0.91 -0.41 0.00 -1.11 0.00 0.00 56.01 53.74 1qab n LEU 12 Cb 0.60 -1.12 -0.05 0.00 0.53 0.00 0.00 43.42 43.37 1qab n LEU 12 CO 0.42 0.37 0.51 -0.32 -1.11 0.00 0.00 177.39 177.26 1qab s MET 13 N -6.19 4.02 0.09 1.96 1.75 -0.60 -4.70 119.30 115.62 1qab s MET 13 Ca 0.05 0.58 -0.06 0.00 -1.25 0.00 0.00 55.69 55.01 1qab s MET 13 Cb -0.03 -3.69 -0.05 0.00 2.84 0.00 0.00 34.83 33.90 1qab s MET 13 CO 0.70 -0.56 0.34 0.08 -0.65 0.00 0.00 175.02 174.93 1qab s VAL 14 N 2.75 5.21 0.15 10.11 1.01 -1.12 -3.35 120.40 135.16 1qab s VAL 14 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1qab s VAL 14 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1qab s VAL 14 CO 0.10 0.18 -0.04 -0.75 0.00 0.00 0.00 175.10 174.60 1qab s LYS 15 N -2.26 1.03 -0.02 2.72 2.20 -1.25 0.83 119.74 122.99 1qab s LYS 15 Ca 0.35 -1.46 -0.11 0.00 -0.36 0.00 0.00 55.97 54.38 1qab s LYS 15 Cb -0.13 -0.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1qab s LYS 15 CO 0.21 -0.05 0.24 0.08 -0.36 0.00 0.00 175.35 175.48 1qab s VAL 16 N -3.56 0.06 0.01 4.02 1.01 0.11 -2.68 120.40 119.38 1qab s VAL 16 Ca 0.19 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1qab s VAL 16 Cb 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1qab s VAL 16 CO 0.01 -0.27 -0.03 -0.76 0.00 0.00 0.00 175.10 174.05 1qab s LEU 17 N -1.16 2.10 0.22 3.92 1.43 0.20 -2.96 118.68 122.43 1qab s LEU 17 Ca -0.12 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1qab s LEU 17 Cb -0.06 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 46.05 1qab s LEU 17 CO 0.03 -0.10 0.58 -0.62 0.23 0.00 0.00 176.35 176.47 1qab s ASP 18 N -0.60 6.70 -0.07 2.29 -1.08 0.21 -0.02 116.67 124.10 1qab s ASP 18 Ca -0.05 1.02 0.13 0.00 -0.52 0.00 0.00 52.55 53.12 1qab s ASP 18 Cb -0.04 -2.26 -0.19 0.00 -1.46 0.00 0.00 42.92 38.96 1qab s ASP 18 CO -0.00 -0.05 0.18 0.00 0.52 0.00 0.00 175.17 175.82 1qab n ALA 19 N 0.05 2.12 0.05 3.66 0.00 -0.99 -3.69 120.51 121.71 1qab n ALA 19 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.80 1qab n ALA 19 Cb 0.52 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 1qab n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qab h VAL 20 N 0.00 1.26 0.00 0.00 2.07 -1.93 -3.31 116.25 114.34 1qab h VAL 20 Ca -0.17 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.43 1qab h VAL 20 Cb 1.20 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1qab h VAL 20 CO 0.01 0.72 -0.00 0.54 0.02 0.00 0.00 177.57 178.85 1qab n ARG 21 N -3.21 1.34 -3.64 1.57 1.74 -1.26 -4.97 116.66 108.22 1qab n ARG 21 Ca -0.04 -2.53 -0.18 0.00 -0.77 0.00 0.00 57.85 54.33 1qab n ARG 21 Cb 0.92 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.87 1qab n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qab n GLY 22 N -1.40 -0.23 3.36 -0.13 0.00 -1.25 -4.84 105.19 100.71 1qab n GLY 22 Ca 0.15 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1qab n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qab s SER 23 N -4.05 -0.07 0.32 1.61 1.04 -1.24 -4.97 113.70 106.34 1qab s SER 23 Ca 0.13 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 1qab s SER 23 Cb -0.07 0.46 -0.11 0.00 0.10 0.00 0.00 66.02 66.41 1qab s SER 23 CO 0.43 -0.90 1.46 -2.84 0.98 0.00 0.00 173.24 172.36 1qab s PRO 24 N -3.90 4.20 -1.41 4.02 0.02 -1.26 0.64 135.00 137.30 1qab s PRO 24 Ca 0.11 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 63.48 1qab s PRO 24 Cb 0.02 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.43 1qab s PRO 24 CO -0.04 -0.45 2.98 0.00 -0.33 0.00 0.00 177.00 179.15 1qab n ALA 25 N 1.26 7.37 -1.68 -1.55 0.00 -1.16 -4.76 120.51 119.99 1qab n ALA 25 Ca 0.03 -3.40 -0.46 0.00 0.00 0.00 0.00 53.44 49.61 1qab n ALA 25 Cb 0.40 -3.19 -0.04 0.00 0.00 0.00 0.00 19.45 16.62 1qab n ALA 25 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1qab n ILE 26 N 3.23 0.44 -0.72 0.00 5.41 -1.26 -2.90 119.36 123.56 1qab n ILE 26 Ca 0.73 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 64.40 1qab n ILE 26 Cb 0.31 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 1qab n ILE 26 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1qab n ASN 27 N 5.85 -1.09 -4.47 4.38 5.03 0.75 -4.93 115.26 120.77 1qab n ASN 27 Ca 0.20 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.23 1qab n ASN 27 Cb 0.31 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1qab n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1qab s VAL 28 N -2.00 4.31 0.05 2.41 1.01 -1.14 -4.72 120.40 120.32 1qab s VAL 28 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 61.98 61.01 1qab s VAL 28 Cb 0.00 -4.77 -0.17 0.00 0.00 0.00 0.00 36.38 31.43 1qab s VAL 28 CO 0.00 -1.57 1.32 0.00 0.00 0.00 0.00 175.10 174.86 1qab n ALA 29 N 7.75 -1.30 -3.56 5.51 0.00 -1.26 -3.43 120.51 124.22 1qab n ALA 29 Ca 0.07 0.52 -0.23 0.00 0.00 0.00 0.00 53.44 53.81 1qab n ALA 29 Cb 0.47 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 17.72 1qab n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qab s VAL 30 N 0.57 0.84 -0.05 0.00 1.01 -0.14 -3.31 120.40 119.31 1qab s VAL 30 Ca 0.86 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.58 1qab s VAL 30 Cb -1.01 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1qab s VAL 30 CO 0.49 0.29 -0.15 -1.00 0.00 0.00 0.00 175.10 174.73 1qab s HIS 31 N 0.84 1.60 0.14 5.22 3.76 -1.14 -1.37 115.29 124.34 1qab s HIS 31 Ca -0.12 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.36 1qab s HIS 31 Cb -0.15 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 1qab s HIS 31 CO 0.01 -0.20 -0.02 0.08 -0.85 0.00 0.00 174.74 173.76 1qab s VAL 32 N 0.24 3.70 0.01 -0.90 1.01 -0.60 -0.49 120.40 123.37 1qab s VAL 32 Ca -0.07 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1qab s VAL 32 Cb -0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1qab s VAL 32 CO 0.03 -0.02 -0.02 -0.36 0.00 0.00 0.00 175.10 174.72 1qab s PHE 33 N -1.54 0.19 -0.30 5.22 0.40 -0.55 -1.48 117.98 119.92 1qab s PHE 33 Ca 0.26 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1qab s PHE 33 Cb -0.10 -0.13 0.06 0.00 0.51 0.00 0.00 43.02 43.36 1qab s PHE 33 CO 0.17 -0.08 0.00 0.50 0.70 0.00 0.00 175.22 176.52 1qab s ARG 34 N -0.66 2.33 -0.27 0.44 3.52 -0.93 0.15 118.95 123.53 1qab s ARG 34 Ca -0.06 -1.35 -0.40 0.00 -0.13 0.00 0.00 55.73 53.78 1qab s ARG 34 Cb -0.05 -3.17 -0.16 0.00 -1.56 0.00 0.00 34.95 30.01 1qab s ARG 34 CO -0.00 -0.66 1.70 1.17 -0.81 0.00 0.00 175.30 176.70 1qab n LYS 35 N 4.57 1.06 -2.19 5.12 4.81 0.32 -3.19 118.16 128.66 1qab n LYS 35 Ca -0.12 0.39 -0.26 0.00 -0.87 0.00 0.00 58.31 57.45 1qab n LYS 35 Cb 0.43 -2.06 0.09 0.00 0.02 0.00 0.00 35.03 33.51 1qab n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qab s ALA 36 N 3.28 3.06 0.23 3.14 0.00 0.52 -4.72 121.76 127.27 1qab s ALA 36 Ca 0.98 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 1qab s ALA 36 Cb -1.09 -2.57 0.37 0.00 0.00 0.00 0.00 23.12 19.82 1qab s ALA 36 CO 0.66 -1.51 1.69 0.00 0.00 0.00 0.00 175.76 176.60 1qab h ALA 37 N -0.77 0.80 0.00 0.00 0.00 -1.92 0.89 119.26 118.26 1qab h ALA 37 Ca -0.43 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qab h ALA 37 Cb 1.30 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1qab h ALA 37 CO 0.55 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 1qab n ASP 38 N -5.16 1.85 -2.96 0.00 5.75 -1.26 -4.77 116.55 109.99 1qab n ASP 38 Ca 0.11 -1.65 -0.20 0.00 -0.01 0.00 0.00 54.79 53.03 1qab n ASP 38 Cb 0.38 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 1qab n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1qab n ASP 39 N 0.40 -4.79 -4.36 -1.12 -0.08 0.30 -4.96 116.55 101.95 1qab n ASP 39 Ca 0.00 -0.20 -0.31 0.00 -1.51 0.00 0.00 54.79 52.77 1qab n ASP 39 Cb 0.33 -3.94 -0.15 0.00 2.34 0.00 0.00 41.12 39.70 1qab n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1qab s THR 40 N -2.96 2.28 -0.06 5.18 2.01 -1.22 -4.83 115.64 116.03 1qab s THR 40 Ca 0.25 -1.17 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1qab s THR 40 Cb -0.12 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1qab s THR 40 CO 0.30 0.48 0.86 0.26 -0.69 0.00 0.00 174.62 175.84 1qab s TRP 41 N -0.73 3.58 -0.10 4.92 0.52 -1.26 0.20 118.94 126.06 1qab s TRP 41 Ca 0.11 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.70 1qab s TRP 41 Cb -0.10 -3.00 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1qab s TRP 41 CO 0.01 -0.04 -0.11 -1.83 0.02 0.00 0.00 176.95 175.00 1qab s GLU 42 N 1.24 1.81 0.14 4.98 -1.05 -1.19 -4.92 118.70 119.71 1qab s GLU 42 Ca 0.44 -0.40 -0.13 0.00 -0.15 0.00 0.00 54.97 54.73 1qab s GLU 42 Cb -0.19 -1.67 -0.09 0.00 -0.44 0.00 0.00 34.13 31.75 1qab s GLU 42 CO 0.21 -0.15 0.19 -2.30 0.95 0.00 0.00 175.26 174.17 1qab n PRO 43 N 4.47 0.00 0.00 -4.83 -0.02 -1.26 -2.18 135.00 131.18 1qab n PRO 43 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1qab n PRO 43 Cb 0.51 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 1qab n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qab n PHE 44 N -0.18 0.00 0.00 6.00 7.35 -0.55 -4.68 117.46 125.41 1qab n PHE 44 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1qab n PHE 44 Cb 0.16 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.99 1qab n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qab n ALA 45 N -1.90 0.00 -3.81 3.13 0.00 -1.25 -5.00 120.51 111.67 1qab n ALA 45 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1qab n ALA 45 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.84 1qab n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qab s SER 46 N 0.00 0.02 0.00 0.00 1.04 -1.26 -1.56 113.70 111.94 1qab s SER 46 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1qab s SER 46 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1qab s SER 46 CO 0.00 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.20 1qab n GLY 47 N -0.56 -0.50 3.12 7.32 0.00 -0.47 -5.00 105.19 109.10 1qab n GLY 47 Ca -0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1qab n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qab s LYS 48 N -1.81 0.68 0.27 1.61 1.02 -1.26 -0.97 119.74 119.28 1qab s LYS 48 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 1qab s LYS 48 Cb 0.00 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.77 1qab s LYS 48 CO 0.00 0.08 1.22 0.95 -0.92 0.00 0.00 175.35 176.68 1qab s THR 49 N -1.77 3.19 0.38 2.17 -4.23 -1.22 -4.79 115.64 109.36 1qab s THR 49 Ca -0.03 1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.54 1qab s THR 49 Cb -0.07 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.14 1qab s THR 49 CO 0.00 0.24 0.37 -1.54 -0.54 0.00 0.00 174.62 173.15 1qab n SER 50 N 1.49 -1.07 0.12 3.99 3.41 -0.60 -0.18 113.62 120.77 1qab n SER 50 Ca 0.01 -0.80 0.18 0.00 -0.26 0.00 0.00 58.87 58.00 1qab n SER 50 Cb 0.43 -0.32 0.74 0.00 -0.26 0.00 0.00 64.21 64.80 1qab n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qab h GLU 51 N 0.00 0.00 -0.01 4.33 3.07 -1.95 -1.65 114.58 118.36 1qab h GLU 51 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1qab h GLU 51 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1qab h GLU 51 CO 0.09 0.00 -0.22 -1.13 -1.40 0.00 0.00 179.01 176.35 1qab n SER 52 N -4.11 1.60 0.00 1.42 3.41 -1.26 -4.70 113.62 109.99 1qab n SER 52 Ca 0.05 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1qab n SER 52 Cb 0.44 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1qab n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qab n GLY 53 N 1.32 0.56 3.62 5.00 0.00 -0.62 -4.75 105.19 110.33 1qab n GLY 53 Ca 0.13 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1qab n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qab s GLU 54 N -1.38 2.11 -0.39 1.61 2.02 -1.26 0.10 118.70 121.50 1qab s GLU 54 Ca 0.00 -1.66 0.06 0.00 0.02 0.00 0.00 54.97 53.39 1qab s GLU 54 Cb 0.00 -1.99 0.17 0.00 0.10 0.00 0.00 34.13 32.41 1qab s GLU 54 CO 0.00 0.21 0.52 -1.17 0.02 0.00 0.00 175.26 174.84 1qab s LEU 55 N -3.69 -0.85 0.00 1.80 0.20 0.24 -1.57 118.68 114.81 1qab s LEU 55 Ca 0.34 -1.17 0.00 0.00 0.69 0.00 0.00 54.13 53.99 1qab s LEU 55 Cb -0.02 1.32 0.00 0.00 -0.43 0.00 0.00 46.19 47.06 1qab s LEU 55 CO 0.19 -0.21 0.00 1.41 -0.29 0.00 0.00 176.35 177.45 1qab n HIS 56 N 4.31 0.00 -0.55 5.38 8.25 -1.26 -2.77 115.22 128.58 1qab n HIS 56 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1qab n HIS 56 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1qab n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qab n GLY 57 N 5.00 0.00 0.08 -1.41 0.00 -1.26 -4.58 105.19 103.01 1qab n GLY 57 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1qab n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qab h LEU 58 N 0.06 0.00 0.00 0.99 3.38 -1.84 -3.50 115.31 114.40 1qab h LEU 58 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1qab h LEU 58 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qab h LEU 58 CO 0.00 1.10 0.00 1.07 0.09 0.00 0.00 178.44 180.70 1qab n THR 59 N -4.57 0.00 -4.06 0.22 5.66 -1.26 -4.84 114.28 105.42 1qab n THR 59 Ca -0.15 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.73 1qab n THR 59 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 1qab n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1qab s THR 60 N -1.23 0.47 0.30 1.09 -4.23 -1.26 -4.94 115.64 105.85 1qab s THR 60 Ca 0.00 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1qab s THR 60 Cb 0.00 -0.71 0.38 0.00 1.34 0.00 0.00 72.50 73.51 1qab s THR 60 CO 0.00 -0.48 1.59 -0.33 -0.54 0.00 0.00 174.62 174.86 1qab h GLU 61 N 4.30 0.05 -0.58 3.99 5.08 -2.01 0.11 114.58 125.52 1qab h GLU 61 Ca -0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1qab h GLU 61 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1qab h GLU 61 CO 0.44 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.88 1qab n GLU 62 N -5.42 2.57 -0.07 2.33 1.02 -1.26 -3.77 120.64 116.04 1qab n GLU 62 Ca 0.22 -2.07 -0.09 0.00 -0.02 0.00 0.00 57.16 55.20 1qab n GLU 62 Cb 0.73 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1qab n GLU 62 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1qab n GLN 63 N 1.03 0.44 -2.47 3.49 1.13 -0.07 -4.83 117.38 116.10 1qab n GLN 63 Ca 0.19 0.07 -0.39 0.00 -1.94 0.00 0.00 57.00 54.93 1qab n GLN 63 Cb 0.55 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.60 1qab n GLN 63 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1qab s PHE 64 N -2.27 2.31 0.35 1.08 5.36 0.19 -4.97 117.98 120.03 1qab s PHE 64 Ca -0.18 -0.31 0.07 0.00 -0.96 0.00 0.00 56.93 55.56 1qab s PHE 64 Cb 0.05 -4.57 -0.02 0.00 -0.34 0.00 0.00 43.02 38.13 1qab s PHE 64 CO 0.32 -2.00 0.32 0.14 -1.46 0.00 0.00 175.22 172.54 1qab s VAL 65 N 6.02 3.35 0.38 3.12 -7.23 -1.26 -4.85 120.40 119.93 1qab s VAL 65 Ca 0.46 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 59.00 1qab s VAL 65 Cb -0.04 -3.15 -0.11 0.00 0.56 0.00 0.00 36.38 33.64 1qab s VAL 65 CO 0.02 -0.13 1.48 -1.61 -0.31 0.00 0.00 175.10 174.55 1qab s GLU 66 N -4.03 4.08 0.00 4.82 2.02 -1.22 -4.82 118.70 119.55 1qab s GLU 66 Ca 0.43 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.98 1qab s GLU 66 Cb -0.05 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1qab s GLU 66 CO 0.27 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1qab n GLY 67 N 0.46 -0.84 3.07 -1.39 0.00 -0.15 -4.89 105.19 101.45 1qab n GLY 67 Ca 0.01 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1qab n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 68 N -3.00 2.36 0.50 -0.61 -1.09 -1.26 0.18 121.20 118.27 1qab s ILE 68 Ca 0.00 -1.90 0.07 0.00 -2.23 0.00 0.00 60.65 56.59 1qab s ILE 68 Cb 0.00 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.37 1qab s ILE 68 CO 0.00 -0.29 0.46 -0.31 -1.23 0.00 0.00 174.94 173.58 1qab s TYR 69 N 1.04 2.01 -0.13 3.97 1.51 -1.22 0.12 117.35 124.64 1qab s TYR 69 Ca -0.00 -0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 55.31 1qab s TYR 69 Cb -0.20 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1qab s TYR 69 CO -0.06 -0.46 0.31 0.21 -1.11 0.00 0.00 175.55 174.44 1qab s LYS 70 N -4.29 0.26 -0.46 -0.62 2.20 0.12 -3.63 119.74 113.32 1qab s LYS 70 Ca 0.45 0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 56.57 1qab s LYS 70 Cb -0.03 -0.04 0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1qab s LYS 70 CO 0.27 -0.19 0.43 0.08 -0.36 0.00 0.00 175.35 175.58 1qab s VAL 71 N 1.62 5.14 -0.33 4.02 1.01 0.19 -1.48 120.40 130.58 1qab s VAL 71 Ca -0.07 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1qab s VAL 71 Cb -0.10 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1qab s VAL 71 CO -0.10 -0.56 0.70 -0.70 0.00 0.00 0.00 175.10 174.44 1qab s GLU 72 N 1.92 3.84 -0.40 2.72 2.12 0.36 -1.70 118.70 127.56 1qab s GLU 72 Ca 0.08 0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.64 1qab s GLU 72 Cb -0.21 -3.76 0.07 0.00 0.26 0.00 0.00 34.13 30.49 1qab s GLU 72 CO 0.09 -0.68 0.23 0.42 -0.54 0.00 0.00 175.26 174.78 1qab s ILE 73 N 2.80 4.18 -0.39 -3.70 1.01 0.76 -2.90 121.20 122.97 1qab s ILE 73 Ca 0.28 -1.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 1qab s ILE 73 Cb -0.14 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1qab s ILE 73 CO 0.13 -0.44 1.43 -0.62 0.00 0.00 0.00 174.94 175.45 1qab s ASP 74 N 1.95 6.34 -0.13 3.58 2.15 -1.21 0.21 116.67 129.55 1qab s ASP 74 Ca 0.02 0.91 0.05 0.00 0.43 0.00 0.00 52.55 53.97 1qab s ASP 74 Cb -0.22 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.75 1qab s ASP 74 CO 0.03 -1.42 -0.05 0.35 -0.17 0.00 0.00 175.17 173.91 1qab n THR 75 N 7.00 0.79 -0.31 1.71 -2.24 -1.26 -4.46 114.28 115.52 1qab n THR 75 Ca 0.17 -0.39 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 1qab n THR 75 Cb 0.48 -0.86 0.09 0.00 -2.10 0.00 0.00 70.33 67.93 1qab n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qab h LYS 76 N 0.00 1.22 0.00 -0.78 3.64 -1.81 0.11 116.57 118.94 1qab h LYS 76 Ca -0.31 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1qab h LYS 76 Cb 1.59 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1qab h LYS 76 CO -0.02 0.93 -0.09 0.77 -2.27 0.00 0.00 179.45 178.78 1qab h SER 77 N 1.21 0.00 1.41 4.20 0.02 -1.92 0.83 113.55 119.29 1qab h SER 77 Ca 0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1qab h SER 77 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1qab h SER 77 CO -0.04 0.09 -0.61 0.22 -1.14 0.00 0.00 176.83 175.35 1qab h TYR 78 N 0.00 0.00 0.00 3.45 3.20 -1.09 -2.96 116.97 119.57 1qab h TYR 78 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 1qab h TYR 78 Cb 0.21 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1qab h TYR 78 CO 0.00 0.28 -1.80 0.91 -1.64 0.00 0.00 178.16 175.91 1qab n TRP 79 N -3.03 0.51 0.23 -3.82 5.03 -0.24 -4.07 117.44 112.06 1qab n TRP 79 Ca 0.00 0.17 0.06 0.00 3.03 0.00 0.00 57.50 60.76 1qab n TRP 79 Cb 0.66 -0.94 0.54 0.00 -1.03 0.00 0.00 31.31 30.54 1qab n TRP 79 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 1qab h LYS 80 N 0.00 0.00 0.04 -0.99 1.57 0.65 0.52 116.57 118.36 1qab h LYS 80 Ca -0.23 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.28 1qab h LYS 80 Cb 1.64 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.96 1qab h LYS 80 CO 0.03 0.17 -1.07 0.00 -0.57 0.00 0.00 179.45 178.01 1qab h ALA 81 N 1.83 0.17 0.00 3.86 0.00 -1.67 -3.28 119.26 120.16 1qab h ALA 81 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1qab h ALA 81 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qab h ALA 81 CO 0.02 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.29 1qab n LEU 82 N -3.79 0.70 -0.78 0.00 4.32 -0.31 -4.85 117.00 112.29 1qab n LEU 82 Ca -0.10 -0.35 -0.10 0.00 -0.02 0.00 0.00 56.01 55.44 1qab n LEU 82 Cb 0.90 -0.35 -0.04 0.00 -1.62 0.00 0.00 43.42 42.31 1qab n LEU 82 CO 0.55 0.17 -0.09 0.61 -1.22 0.00 0.00 177.39 177.41 1qab n GLY 83 N 0.13 0.94 3.26 -0.72 0.00 -0.97 -4.95 105.19 102.88 1qab n GLY 83 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qab n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 84 N -1.81 2.94 -0.51 -0.61 1.01 0.02 -5.01 121.20 117.23 1qab s ILE 84 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 1qab s ILE 84 Cb 0.00 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.22 1qab s ILE 84 CO 0.00 0.47 0.70 -0.94 0.00 0.00 0.00 174.94 175.17 1qab s SER 85 N 1.30 6.26 1.08 3.58 1.04 -1.26 -3.39 113.70 122.31 1qab s SER 85 Ca 0.04 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 1qab s SER 85 Cb -0.14 -2.33 0.24 0.00 0.10 0.00 0.00 66.02 63.89 1qab s SER 85 CO -0.05 -0.96 1.06 -2.16 0.98 0.00 0.00 173.24 172.11 1qab s PRO 86 N 2.97 -0.29 -0.20 4.02 0.04 -1.26 -5.04 135.00 135.24 1qab s PRO 86 Ca 0.20 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.00 1qab s PRO 86 Cb -0.17 -1.62 -0.19 0.00 0.04 0.00 0.00 34.50 32.56 1qab s PRO 86 CO 0.14 -3.33 0.19 0.34 0.04 0.00 0.00 177.00 174.38 1qab n PHE 87 N -4.66 0.97 -2.23 0.56 7.35 -0.78 -4.97 117.46 113.70 1qab n PHE 87 Ca 0.05 0.39 -0.33 0.00 -0.76 0.00 0.00 57.45 56.80 1qab n PHE 87 Cb 0.54 -1.10 -0.01 0.00 0.35 0.00 0.00 39.48 39.26 1qab n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1qab s HIS 88 N -2.40 3.04 -0.12 -5.13 3.76 -1.26 -4.99 115.29 108.19 1qab s HIS 88 Ca -0.29 1.53 0.17 0.00 -0.15 0.00 0.00 55.06 56.32 1qab s HIS 88 Cb 0.07 -3.00 -0.18 0.00 1.11 0.00 0.00 32.58 30.58 1qab s HIS 88 CO 0.61 -0.95 0.67 0.39 -0.85 0.00 0.00 174.74 174.61 1qab n GLU 89 N -1.66 0.63 0.00 1.40 -0.58 -1.26 -4.44 120.64 114.73 1qab n GLU 89 Ca 0.09 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1qab n GLU 89 Cb 0.53 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1qab n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1qab n HIS 90 N -2.82 0.00 -3.25 -0.32 1.44 -1.26 -4.58 115.22 104.42 1qab n HIS 90 Ca -0.13 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.12 1qab n HIS 90 Cb 0.88 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.95 1qab n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qab s ALA 91 N -1.87 3.67 0.61 1.59 0.00 0.55 -4.84 121.76 121.48 1qab s ALA 91 Ca 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 51.96 49.21 1qab s ALA 91 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1qab s ALA 91 CO 0.00 -2.18 1.03 -1.21 0.00 0.00 0.00 175.76 173.40 1qab s GLU 92 N 1.61 3.60 -0.16 0.00 2.02 -1.26 -0.17 118.70 124.34 1qab s GLU 92 Ca 0.09 0.80 -0.06 0.00 0.02 0.00 0.00 54.97 55.82 1qab s GLU 92 Cb -0.24 -2.08 0.08 0.00 0.10 0.00 0.00 34.13 31.99 1qab s GLU 92 CO 0.01 -0.56 0.34 0.08 0.02 0.00 0.00 175.26 175.14 1qab s VAL 93 N -3.08 -0.53 -0.05 2.63 1.01 -0.69 -4.89 120.40 114.80 1qab s VAL 93 Ca 0.56 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.82 1qab s VAL 93 Cb -0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1qab s VAL 93 CO 0.51 0.09 -0.24 -0.69 0.00 0.00 0.00 175.10 174.76 1qab s VAL 94 N 2.51 1.96 -0.07 2.92 1.01 -1.26 0.58 120.40 128.05 1qab s VAL 94 Ca 0.00 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 1qab s VAL 94 Cb -0.12 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.72 1qab s VAL 94 CO -0.11 0.55 1.05 0.72 0.00 0.00 0.00 175.10 177.31 1qab s PHE 95 N -0.20 -0.22 -0.01 5.22 -0.71 -1.24 -5.06 117.98 115.77 1qab s PHE 95 Ca -0.02 0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1qab s PHE 95 Cb -0.13 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1qab s PHE 95 CO 0.03 -0.41 0.03 0.99 -1.34 0.00 0.00 175.22 174.52 1qab s THR 96 N -2.80 4.36 -0.61 -4.49 2.01 -1.26 -3.46 115.64 109.39 1qab s THR 96 Ca 0.08 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1qab s THR 96 Cb -0.01 -2.96 0.15 0.00 0.01 0.00 0.00 72.50 69.70 1qab s THR 96 CO -0.06 0.38 0.55 0.00 -0.69 0.00 0.00 174.62 174.80 1qab s ALA 97 N -1.11 3.73 -0.17 7.40 0.00 0.47 -4.88 121.76 127.19 1qab s ALA 97 Ca 0.20 -2.77 -0.07 0.00 0.00 0.00 0.00 51.96 49.32 1qab s ALA 97 Cb -0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1qab s ALA 97 CO 0.11 -2.08 0.06 -0.80 0.00 0.00 0.00 175.76 173.06 1qab s ASN 98 N 2.98 5.67 0.61 0.00 0.01 -1.26 -0.98 114.94 121.97 1qab s ASN 98 Ca 0.08 0.12 0.33 0.00 -0.71 0.00 0.00 52.86 52.68 1qab s ASN 98 Cb -0.24 -1.93 1.96 0.00 0.41 0.00 0.00 41.25 41.45 1qab s ASN 98 CO -0.01 0.21 2.28 0.44 -1.51 0.00 0.00 177.10 178.51 1qab h ASP 99 N 6.43 0.00 0.00 -1.22 3.32 -1.96 -3.35 116.42 119.64 1qab h ASP 99 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1qab h ASP 99 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qab h ASP 99 CO 0.68 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.66 1qab n SER 100 N -3.67 0.00 0.00 6.45 3.41 -1.26 -4.01 113.62 114.54 1qab n SER 100 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1qab n SER 100 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1qab n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qab n GLY 101 N 0.00 -1.78 3.72 5.00 0.00 -1.26 -5.14 105.19 105.73 1qab n GLY 101 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 1qab n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qab s PRO 102 N 0.04 4.62 -0.13 1.61 0.04 -1.26 -5.00 135.00 134.92 1qab s PRO 102 Ca 0.00 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.68 1qab s PRO 102 Cb 0.00 -3.40 0.29 0.00 0.04 0.00 0.00 34.50 31.43 1qab s PRO 102 CO 0.00 0.07 1.15 0.54 0.04 0.00 0.00 177.00 178.80 1qab n ARG 103 N 3.30 1.23 -3.34 4.56 5.12 -1.26 -4.93 116.66 121.33 1qab n ARG 103 Ca 0.04 -2.58 -0.46 0.00 -1.93 0.00 0.00 57.85 52.92 1qab n ARG 103 Cb 0.50 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 1qab n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1qab s ARG 104 N -2.71 3.14 -0.21 5.56 1.81 -1.26 -4.79 118.95 120.49 1qab s ARG 104 Ca 0.31 -1.97 -0.10 0.00 -1.72 0.00 0.00 55.73 52.25 1qab s ARG 104 Cb 0.28 -4.30 -0.05 0.00 -0.45 0.00 0.00 34.95 30.43 1qab s ARG 104 CO 0.01 -1.31 0.15 0.71 -0.68 0.00 0.00 175.30 174.18 1qab s TYR 105 N 1.10 3.37 -0.34 -0.53 1.51 -1.26 -4.05 117.35 117.15 1qab s TYR 105 Ca 0.08 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1qab s TYR 105 Cb -0.23 -2.21 0.12 0.00 -0.11 0.00 0.00 41.96 39.52 1qab s TYR 105 CO -0.01 0.20 0.16 0.99 -1.11 0.00 0.00 175.55 175.78 1qab s THR 106 N 0.65 0.62 -0.75 -0.71 2.01 -1.26 -1.15 115.64 115.04 1qab s THR 106 Ca 0.08 -1.59 -0.20 0.00 0.31 0.00 0.00 61.69 60.29 1qab s THR 106 Cb -0.12 -1.47 0.11 0.00 0.01 0.00 0.00 72.50 71.03 1qab s THR 106 CO 0.01 -0.81 0.96 -0.63 -0.69 0.00 0.00 174.62 173.46 1qab s ILE 107 N 1.32 4.63 0.86 1.82 1.01 -1.21 -3.40 121.20 126.22 1qab s ILE 107 Ca 0.13 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1qab s ILE 107 Cb -0.20 -4.67 0.10 0.00 0.01 0.00 0.00 42.46 37.70 1qab s ILE 107 CO -0.16 -1.39 1.13 0.00 0.00 0.00 0.00 174.94 174.52 1qab s ALA 108 N 3.10 2.08 -0.14 9.38 0.00 -0.59 -3.84 121.76 131.74 1qab s ALA 108 Ca 0.24 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1qab s ALA 108 Cb -0.14 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1qab s ALA 108 CO 0.01 -1.99 0.36 0.00 0.00 0.00 0.00 175.76 174.14 1qab s ALA 109 N -3.29 -0.89 -0.29 0.00 0.00 -1.09 -3.12 121.76 113.08 1qab s ALA 109 Ca 0.62 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 1qab s ALA 109 Cb -0.14 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1qab s ALA 109 CO 0.53 -0.22 -0.01 -1.17 0.00 0.00 0.00 175.76 174.89 1qab s LEU 110 N 0.98 3.71 -0.17 0.00 2.96 0.09 0.58 118.68 126.82 1qab s LEU 110 Ca -0.06 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 52.65 1qab s LEU 110 Cb -0.07 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1qab s LEU 110 CO -0.08 -0.22 0.08 -0.76 -1.32 0.00 0.00 176.35 174.06 1qab s LEU 111 N 1.29 3.97 0.03 -0.68 1.43 0.98 -2.08 118.68 123.62 1qab s LEU 111 Ca -0.03 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1qab s LEU 111 Cb -0.19 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1qab s LEU 111 CO -0.02 0.21 0.02 -0.44 0.23 0.00 0.00 176.35 176.36 1qab s SER 112 N 0.14 0.25 0.62 2.29 0.01 -0.77 -2.34 113.70 113.90 1qab s SER 112 Ca 0.06 -0.59 0.29 0.00 1.31 0.00 0.00 55.95 57.02 1qab s SER 112 Cb -0.12 0.17 1.55 0.00 0.21 0.00 0.00 66.02 67.83 1qab s SER 112 CO 0.00 -0.43 1.92 -0.65 0.41 0.00 0.00 173.24 174.49 1qab h PRO 113 N 4.00 0.00 0.00 12.44 0.11 -1.99 -3.18 132.00 143.38 1qab h PRO 113 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1qab h PRO 113 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qab h PRO 113 CO 0.49 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.94 1qab n TYR 114 N -3.40 0.00 -3.97 0.65 4.02 -1.26 -1.86 117.16 111.34 1qab n TYR 114 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 1qab n TYR 114 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.75 1qab n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1qab s SER 115 N -0.46 0.27 -0.22 7.72 1.04 -1.20 -4.96 113.70 115.89 1qab s SER 115 Ca 0.00 -0.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 1qab s SER 115 Cb 0.00 0.24 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1qab s SER 115 CO 0.00 -0.58 0.68 -0.72 0.98 0.00 0.00 173.24 173.61 1qab s TYR 116 N -3.26 -0.73 0.04 5.02 -0.85 -1.26 -1.85 117.35 114.46 1qab s TYR 116 Ca 0.01 1.70 0.05 0.00 -0.52 0.00 0.00 57.07 58.31 1qab s TYR 116 Cb 0.03 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.63 1qab s TYR 116 CO -0.08 -0.41 -0.14 -1.54 -1.52 0.00 0.00 175.55 171.86 1qab s SER 117 N 0.07 1.71 0.20 -0.18 1.04 -0.88 -4.96 113.70 110.69 1qab s SER 117 Ca -0.02 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1qab s SER 117 Cb -0.04 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 1qab s SER 117 CO 0.03 0.04 -0.10 0.28 0.98 0.00 0.00 173.24 174.47 1qab s THR 118 N -0.84 1.45 0.28 2.02 -1.32 -1.26 -0.73 115.64 115.25 1qab s THR 118 Ca 0.02 -2.13 -0.17 0.00 -1.21 0.00 0.00 61.69 58.20 1qab s THR 118 Cb -0.08 -2.09 0.02 0.00 -1.51 0.00 0.00 72.50 68.84 1qab s THR 118 CO 0.01 -0.56 0.64 0.28 -2.21 0.00 0.00 174.62 172.79 1qab s THR 119 N -3.15 0.00 0.22 5.08 -1.32 -1.18 -5.01 115.64 110.28 1qab s THR 119 Ca 0.23 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1qab s THR 119 Cb 0.02 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.77 1qab s THR 119 CO 0.06 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.57 1qab s ALA 120 N -3.73 1.42 -0.44 11.08 0.00 -1.26 -1.54 121.76 127.29 1qab s ALA 120 Ca 0.16 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.41 1qab s ALA 120 Cb -0.04 1.14 0.17 0.00 0.00 0.00 0.00 23.12 24.40 1qab s ALA 120 CO 0.09 -0.50 0.50 0.14 0.00 0.00 0.00 175.76 175.98 1qab s VAL 121 N -3.93 -0.38 -2.00 0.00 -7.23 -1.22 -5.00 120.40 100.64 1qab s VAL 121 Ca 0.36 -1.47 0.17 0.00 -1.81 0.00 0.00 61.98 59.24 1qab s VAL 121 Cb 0.07 -0.59 0.48 0.00 0.56 0.00 0.00 36.38 36.91 1qab s VAL 121 CO 0.12 -0.56 1.42 0.52 -0.31 0.00 0.00 175.10 176.28