#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qab h PRO 11 N 0.00 0.02 -1.09 0.00 0.13 -1.89 -3.44 132.00 125.73 1qab h PRO 11 Ca 0.00 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1qab h PRO 11 Cb 0.00 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 30.94 1qab h PRO 11 CO 0.00 1.01 -0.46 -1.17 -0.23 0.00 0.00 178.00 177.15 1qab s LEU 12 N -7.88 -1.42 -0.63 1.56 2.96 -1.26 -3.81 118.68 108.20 1qab s LEU 12 Ca -0.27 -0.70 -0.20 0.00 -0.22 0.00 0.00 54.13 52.74 1qab s LEU 12 Cb 0.05 1.85 0.09 0.00 0.50 0.00 0.00 46.19 48.68 1qab s LEU 12 CO 0.62 -0.20 0.81 -0.32 -1.32 0.00 0.00 176.35 175.94 1qab s MET 13 N 1.96 3.09 0.53 1.98 -2.45 -0.87 -4.73 119.30 118.81 1qab s MET 13 Ca 0.15 -1.18 -0.18 0.00 -1.25 0.00 0.00 55.69 53.23 1qab s MET 13 Cb -0.06 -4.28 -0.07 0.00 1.25 0.00 0.00 34.83 31.68 1qab s MET 13 CO -0.10 -1.65 1.03 0.08 1.05 0.00 0.00 175.02 175.44 1qab s VAL 14 N 3.14 3.93 -0.19 10.11 1.01 -0.82 -2.84 120.40 134.73 1qab s VAL 14 Ca 0.16 1.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 1qab s VAL 14 Cb -0.21 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1qab s VAL 14 CO 0.07 -0.40 0.47 -0.75 0.00 0.00 0.00 175.10 174.49 1qab s LYS 15 N -3.65 0.47 0.37 2.72 2.20 -0.35 0.11 119.74 121.61 1qab s LYS 15 Ca 0.65 0.86 0.08 0.00 -0.36 0.00 0.00 55.97 57.19 1qab s LYS 15 Cb -0.15 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 1qab s LYS 15 CO 0.27 -0.15 0.33 0.08 -0.36 0.00 0.00 175.35 175.52 1qab s VAL 16 N 1.34 3.19 -0.21 4.02 1.01 0.11 -1.80 120.40 128.06 1qab s VAL 16 Ca -0.09 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 1qab s VAL 16 Cb -0.07 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.28 1qab s VAL 16 CO -0.13 -0.11 0.49 -0.76 0.00 0.00 0.00 175.10 174.59 1qab s LEU 17 N -4.05 -0.48 -0.34 3.92 1.43 -0.70 -3.99 118.68 114.47 1qab s LEU 17 Ca 0.44 1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 54.42 1qab s LEU 17 Cb -0.05 1.63 0.00 0.00 0.03 0.00 0.00 46.19 47.81 1qab s LEU 17 CO 0.27 -0.21 0.68 -0.62 0.23 0.00 0.00 176.35 176.70 1qab s ASP 18 N 1.86 6.49 0.16 2.29 -1.08 -0.61 -0.63 116.67 125.15 1qab s ASP 18 Ca -0.07 0.29 0.08 0.00 -0.52 0.00 0.00 52.55 52.33 1qab s ASP 18 Cb -0.09 -2.35 -0.05 0.00 -1.46 0.00 0.00 42.92 38.98 1qab s ASP 18 CO -0.15 -0.60 1.37 0.00 0.52 0.00 0.00 175.17 176.32 1qab h ALA 19 N 8.38 0.53 -0.04 3.66 0.00 -1.37 0.86 119.26 131.28 1qab h ALA 19 Ca -0.26 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 53.81 1qab h ALA 19 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qab h ALA 19 CO 0.85 1.10 -0.10 0.28 0.00 0.00 0.00 179.25 181.38 1qab h VAL 20 N 0.01 1.45 0.00 0.00 2.07 -1.93 -3.26 116.25 114.58 1qab h VAL 20 Ca -0.01 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1qab h VAL 20 Cb 1.58 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1qab h VAL 20 CO 0.12 0.40 -0.34 0.54 0.02 0.00 0.00 177.57 178.31 1qab n ARG 21 N -4.67 0.03 -3.91 1.57 1.74 -1.25 -4.98 116.66 105.19 1qab n ARG 21 Ca -0.08 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.68 1qab n ARG 21 Cb 0.36 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.48 -0.63 0.00 -0.13 0.00 0.29 -4.94 105.19 101.27 1qab n GLY 22 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1qab n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qab n SER 23 N -2.68 0.00 -4.68 1.61 3.41 -0.99 -4.98 113.62 105.31 1qab n SER 23 Ca -0.19 -0.22 -0.35 0.00 -0.26 0.00 0.00 58.87 57.85 1qab n SER 23 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1qab n SER 23 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qab s PRO 24 N 0.34 3.86 -1.16 4.33 0.04 -1.26 -1.57 135.00 139.58 1qab s PRO 24 Ca 0.00 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.49 1qab s PRO 24 Cb 0.00 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 1qab s PRO 24 CO 0.00 0.37 1.99 0.00 0.04 0.00 0.00 177.00 179.40 1qab s ALA 25 N 0.09 1.43 0.49 8.56 0.00 -1.26 -4.73 121.76 126.34 1qab s ALA 25 Ca 0.06 -1.96 -0.22 0.00 0.00 0.00 0.00 51.96 49.84 1qab s ALA 25 Cb -0.12 -4.68 -0.07 0.00 0.00 0.00 0.00 23.12 18.25 1qab s ALA 25 CO 0.00 -5.71 1.16 0.42 0.00 0.00 0.00 175.76 171.64 1qab s ILE 26 N 12.73 3.07 -1.64 0.00 1.01 -1.26 -3.60 121.20 131.50 1qab s ILE 26 Ca 0.72 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1qab s ILE 26 Cb -0.02 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1qab s ILE 26 CO 0.15 -0.06 0.00 0.59 0.00 0.00 0.00 174.94 175.62 1qab n ASN 27 N -0.78 -5.19 -4.71 3.58 5.03 0.18 -4.90 115.26 108.47 1qab n ASN 27 Ca 0.09 0.13 -0.41 0.00 0.87 0.00 0.00 54.58 55.25 1qab n ASN 27 Cb 0.49 -4.27 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 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 -2.82 4.91 0.49 2.41 1.01 -1.24 -4.66 120.40 120.50 1qab s VAL 28 Ca 0.00 1.86 -0.21 0.00 0.00 0.00 0.00 61.98 63.63 1qab s VAL 28 Cb 0.00 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1qab s VAL 28 CO 0.00 0.16 1.11 0.00 0.00 0.00 0.00 175.10 176.37 1qab s ALA 29 N 1.14 2.86 -0.24 5.51 0.00 -1.26 -0.83 121.76 128.93 1qab s ALA 29 Ca 0.47 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1qab s ALA 29 Cb -0.19 -3.33 0.13 0.00 0.00 0.00 0.00 23.12 19.73 1qab s ALA 29 CO 0.23 -0.56 0.36 0.08 0.00 0.00 0.00 175.76 175.87 1qab s VAL 30 N -1.75 -0.57 -0.16 0.00 1.01 -0.62 -3.15 120.40 115.16 1qab s VAL 30 Ca 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 1qab s VAL 30 Cb -0.23 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1qab s VAL 30 CO 0.27 -0.13 -0.03 -1.00 0.00 0.00 0.00 175.10 174.21 1qab s HIS 31 N 2.52 3.05 -0.04 5.22 3.76 -0.89 -1.14 115.29 127.76 1qab s HIS 31 Ca 0.12 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1qab s HIS 31 Cb -0.15 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 1qab s HIS 31 CO -0.16 -0.01 -0.20 0.08 -0.85 0.00 0.00 174.74 173.61 1qab s VAL 32 N 0.34 2.60 0.12 -0.90 1.01 0.58 -0.90 120.40 123.24 1qab s VAL 32 Ca -0.03 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1qab s VAL 32 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1qab s VAL 32 CO 0.03 0.58 -0.18 -0.36 0.00 0.00 0.00 175.10 175.17 1qab s PHE 33 N -0.60 1.68 -0.22 5.22 0.40 0.08 0.85 117.98 125.40 1qab s PHE 33 Ca 0.09 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1qab s PHE 33 Cb -0.11 -0.89 0.06 0.00 0.51 0.00 0.00 43.02 42.59 1qab s PHE 33 CO 0.00 0.22 -0.04 0.50 0.70 0.00 0.00 175.22 176.60 1qab s ARG 34 N -2.27 1.44 -0.26 0.44 3.52 -1.09 -1.18 118.95 119.56 1qab s ARG 34 Ca 0.09 -0.82 -0.40 0.00 -0.13 0.00 0.00 55.73 54.47 1qab s ARG 34 Cb -0.08 -2.42 -0.18 0.00 -1.56 0.00 0.00 34.95 30.71 1qab s ARG 34 CO 0.05 -0.58 1.24 1.17 -0.81 0.00 0.00 175.30 176.37 1qab n LYS 35 N 4.77 0.00 -2.76 5.12 4.81 -0.59 -4.00 118.16 125.50 1qab n LYS 35 Ca -0.12 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.08 1qab n LYS 35 Cb 0.45 -1.36 0.02 0.00 0.02 0.00 0.00 35.03 34.16 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 1.55 3.57 0.11 3.14 0.00 0.28 -4.80 121.76 125.61 1qab s ALA 36 Ca 0.90 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 1qab s ALA 36 Cb -1.27 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1qab s ALA 36 CO 0.64 -0.51 0.97 0.00 0.00 0.00 0.00 175.76 176.86 1qab n ALA 37 N -2.26 -0.32 0.46 0.00 0.00 -1.26 -0.64 120.51 116.50 1qab n ALA 37 Ca 0.02 0.56 0.02 0.00 0.00 0.00 0.00 53.44 54.03 1qab n ALA 37 Cb 0.57 -0.14 0.09 0.00 0.00 0.00 0.00 19.45 19.98 1qab n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qab n ASP 38 N -4.82 0.00 -1.03 0.00 5.75 -1.26 -4.82 116.55 110.37 1qab n ASP 38 Ca 0.03 -0.37 -0.09 0.00 -0.01 0.00 0.00 54.79 54.35 1qab n ASP 38 Cb 0.19 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.71 -3.09 -4.46 -1.12 -0.08 0.19 -5.04 116.55 102.23 1qab n ASP 39 Ca 0.02 -0.02 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 1qab n ASP 39 Cb 0.01 -2.35 -0.10 0.00 2.34 0.00 0.00 41.12 41.02 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 -2.47 2.46 0.00 5.18 2.01 -1.23 -4.87 115.64 116.72 1qab s THR 40 Ca 0.01 -2.36 -0.18 0.00 0.31 0.00 0.00 61.69 59.47 1qab s THR 40 Cb -0.01 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.17 1qab s THR 40 CO 0.02 -0.36 0.51 0.26 -0.69 0.00 0.00 174.62 174.35 1qab s TRP 41 N -2.40 3.71 -0.05 4.92 0.52 -1.26 0.10 118.94 124.47 1qab s TRP 41 Ca 0.29 1.11 -0.00 0.00 0.02 0.00 0.00 56.10 57.52 1qab s TRP 41 Cb -0.05 -2.47 0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1qab s TRP 41 CO 0.14 0.49 -0.01 -1.83 0.02 0.00 0.00 176.95 175.76 1qab s GLU 42 N -0.64 0.62 0.06 4.98 -1.05 -1.26 -4.92 118.70 116.50 1qab s GLU 42 Ca 0.27 0.04 -0.20 0.00 -0.15 0.00 0.00 54.97 54.93 1qab s GLU 42 Cb -0.18 -0.84 -0.11 0.00 -0.44 0.00 0.00 34.13 32.57 1qab s GLU 42 CO 0.15 -0.20 0.46 -2.30 0.95 0.00 0.00 175.26 174.32 1qab n PRO 43 N 4.61 0.00 -0.00 -4.83 -0.02 -1.26 -2.66 135.00 130.84 1qab n PRO 43 Ca -0.16 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1qab n PRO 43 Cb 0.50 -0.73 -0.00 0.00 -0.02 0.00 0.00 33.50 33.25 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 0.41 0.00 0.00 6.00 7.35 0.25 -4.78 117.46 126.69 1qab n PHE 44 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1qab n PHE 44 Cb 0.10 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 -2.29 0.00 -3.77 3.13 0.00 -1.13 -5.00 120.51 111.46 1qab n ALA 45 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1qab n ALA 45 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.19 0.00 0.00 1.04 -1.26 -0.31 113.70 112.99 1qab s SER 46 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1qab s SER 46 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1qab s SER 46 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1qab n GLY 47 N -0.47 -0.82 3.09 7.32 0.00 -0.29 -4.98 105.19 109.04 1qab n GLY 47 Ca -0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.45 0.35 0.04 1.61 1.02 -1.26 -1.59 119.74 119.45 1qab s LYS 48 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1qab s LYS 48 Cb 0.00 0.15 -0.07 0.00 -0.52 0.00 0.00 37.83 37.40 1qab s LYS 48 CO 0.00 -0.07 1.46 0.95 -0.92 0.00 0.00 175.35 176.78 1qab s THR 49 N -0.57 3.45 0.00 2.17 -4.23 -0.01 -4.84 115.64 111.61 1qab s THR 49 Ca -0.07 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1qab s THR 49 Cb -0.04 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1qab s THR 49 CO 0.01 0.01 0.00 -1.54 -0.54 0.00 0.00 174.62 172.56 1qab n SER 50 N 5.15 -0.17 0.16 3.99 3.41 -1.11 0.51 113.62 125.56 1qab n SER 50 Ca 0.14 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1qab n SER 50 Cb 0.43 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.81 1qab n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qab h GLU 51 N 0.00 0.00 0.00 4.33 4.57 -1.95 -2.94 114.58 118.60 1qab h GLU 51 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1qab h GLU 51 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1qab h GLU 51 CO 0.00 0.00 -1.35 -1.13 -1.18 0.00 0.00 179.01 175.35 1qab n SER 52 N -2.51 0.72 0.00 1.04 3.41 -1.26 -4.83 113.62 110.19 1qab n SER 52 Ca 0.04 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1qab n SER 52 Cb 0.37 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 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 1.30 1.26 3.38 5.00 0.00 -1.11 -4.58 105.19 110.45 1qab n GLY 53 Ca -0.06 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.22 1.37 -0.26 1.61 2.02 -1.26 0.06 118.70 121.03 1qab s GLU 54 Ca 0.00 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.68 1qab s GLU 54 Cb 0.00 -1.84 0.07 0.00 0.10 0.00 0.00 34.13 32.45 1qab s GLU 54 CO 0.00 0.44 -0.05 -1.17 0.02 0.00 0.00 175.26 174.50 1qab s LEU 55 N -2.04 2.99 0.33 1.80 0.20 0.30 -2.75 118.68 119.52 1qab s LEU 55 Ca 0.13 -1.36 0.08 0.00 0.69 0.00 0.00 54.13 53.67 1qab s LEU 55 Cb -0.10 -1.29 -0.06 0.00 -0.43 0.00 0.00 46.19 44.30 1qab s LEU 55 CO 0.06 -0.25 -0.07 -1.00 -0.29 0.00 0.00 176.35 174.79 1qab s HIS 56 N 1.29 2.29 -0.09 5.38 3.76 -1.26 -1.95 115.29 124.71 1qab s HIS 56 Ca -0.04 -0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 54.30 1qab s HIS 56 Cb -0.19 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.16 1qab s HIS 56 CO -0.07 0.49 0.01 0.41 -0.85 0.00 0.00 174.74 174.72 1qab n GLY 57 N -0.75 0.42 0.06 -2.22 0.00 -1.26 -4.97 105.19 96.47 1qab n GLY 57 Ca -0.05 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.28 1qab n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qab n LEU 58 N -0.24 0.58 0.00 0.99 4.77 -1.26 -5.03 117.00 116.80 1qab n LEU 58 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1qab n LEU 58 Cb 0.51 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1qab n LEU 58 CO 0.02 0.13 0.00 1.07 -1.33 0.00 0.00 177.39 177.27 1qab n THR 59 N -1.27 0.00 -4.07 -5.08 5.66 -1.26 -4.75 114.28 103.52 1qab n THR 59 Ca 0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.97 1qab n THR 59 Cb 0.33 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.01 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 -2.71 0.41 0.24 1.09 -4.23 -1.26 -4.63 115.64 104.56 1qab s THR 60 Ca 0.00 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1qab s THR 60 Cb 0.00 -0.87 0.33 0.00 1.34 0.00 0.00 72.50 73.29 1qab s THR 60 CO 0.00 -0.61 1.21 -0.62 -0.54 0.00 0.00 174.62 174.07 1qab n GLU 61 N 0.99 -0.06 -1.85 3.99 1.02 -1.26 -1.22 120.64 122.24 1qab n GLU 61 Ca -0.20 1.16 -0.36 0.00 -0.02 0.00 0.00 57.16 57.74 1qab n GLU 61 Cb 0.57 -1.84 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1qab n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qab n GLU 62 N -5.08 2.88 0.00 3.49 1.02 -1.26 -3.82 120.64 117.87 1qab n GLU 62 Ca 0.19 -3.63 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1qab n GLU 62 Cb 0.61 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1qab n GLU 62 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qab n GLN 63 N -0.64 1.80 -3.03 3.49 -0.06 -0.36 -4.94 117.38 113.63 1qab n GLN 63 Ca 0.54 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 55.09 1qab n GLN 63 Cb 0.44 -0.26 -0.00 0.00 -4.06 0.00 0.00 30.24 26.36 1qab n GLN 63 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 1qab s PHE 64 N -0.42 3.60 0.26 3.69 5.36 -0.54 -4.93 117.98 125.00 1qab s PHE 64 Ca 0.00 -2.13 0.03 0.00 -0.96 0.00 0.00 56.93 53.87 1qab s PHE 64 Cb 0.00 -4.20 -0.03 0.00 -0.34 0.00 0.00 43.02 38.45 1qab s PHE 64 CO 0.00 -1.31 0.41 0.14 -1.46 0.00 0.00 175.22 173.00 1qab s VAL 65 N 1.14 5.22 0.44 3.12 -7.23 -1.26 -4.92 120.40 116.91 1qab s VAL 65 Ca 0.38 -0.76 -0.21 0.00 -1.81 0.00 0.00 61.98 59.58 1qab s VAL 65 Cb -0.05 -3.84 -0.13 0.00 0.56 0.00 0.00 36.38 32.93 1qab s VAL 65 CO -0.03 -0.36 0.44 -0.62 -0.31 0.00 0.00 175.10 174.22 1qab n GLU 66 N -1.37 0.45 -2.20 4.82 1.02 -1.26 -4.84 120.64 117.26 1qab n GLU 66 Ca -0.07 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1qab n GLU 66 Cb 0.56 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1qab n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qab n GLY 67 N 1.90 -0.05 3.27 0.62 0.00 -1.06 -4.98 105.19 104.90 1qab n GLY 67 Ca 0.11 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.80 3.26 0.07 -0.61 1.01 -1.26 -0.30 121.20 120.57 1qab s ILE 68 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1qab s ILE 68 Cb 0.00 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1qab s ILE 68 CO 0.00 0.29 -0.13 -0.31 0.00 0.00 0.00 174.94 174.79 1qab s TYR 69 N 1.42 2.68 -0.06 3.97 1.51 -0.44 -1.54 117.35 124.90 1qab s TYR 69 Ca 0.03 -0.18 0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1qab s TYR 69 Cb -0.15 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1qab s TYR 69 CO -0.03 0.36 -0.23 0.21 -1.11 0.00 0.00 175.55 174.75 1qab s LYS 70 N -1.83 2.41 -0.07 -0.62 2.20 -0.32 0.15 119.74 121.65 1qab s LYS 70 Ca 0.18 -0.84 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1qab s LYS 70 Cb -0.11 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.16 1qab s LYS 70 CO 0.10 0.34 -0.20 0.08 -0.36 0.00 0.00 175.35 175.30 1qab s VAL 71 N -0.09 2.50 -0.15 4.02 1.01 0.42 -0.74 120.40 127.38 1qab s VAL 71 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1qab s VAL 71 Cb -0.14 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1qab s VAL 71 CO 0.04 0.57 -0.12 -0.70 0.00 0.00 0.00 175.10 174.88 1qab s GLU 72 N -0.22 2.09 -0.10 2.72 2.12 -0.08 -0.19 118.70 125.05 1qab s GLU 72 Ca -0.01 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1qab s GLU 72 Cb -0.13 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.18 1qab s GLU 72 CO 0.03 -0.28 -0.17 0.42 -0.54 0.00 0.00 175.26 174.72 1qab s ILE 73 N 1.52 2.72 -0.48 -3.70 1.01 0.08 -2.10 121.20 120.26 1qab s ILE 73 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 1qab s ILE 73 Cb -0.13 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1qab s ILE 73 CO -0.10 0.55 0.88 -0.62 0.00 0.00 0.00 174.94 175.65 1qab s ASP 74 N 0.09 6.43 -0.26 3.58 -1.08 -1.19 -1.30 116.67 122.93 1qab s ASP 74 Ca -0.08 -0.08 -0.07 0.00 -0.52 0.00 0.00 52.55 51.81 1qab s ASP 74 Cb -0.15 -2.42 -0.15 0.00 -1.46 0.00 0.00 42.92 38.73 1qab s ASP 74 CO 0.05 -1.04 -0.25 0.35 0.52 0.00 0.00 175.17 174.80 1qab n THR 75 N 6.27 1.52 -0.12 1.71 -2.24 -1.26 -4.32 114.28 115.84 1qab n THR 75 Ca 0.04 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 1qab n THR 75 Cb 0.48 -1.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 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 -0.49 -0.03 -0.13 -0.78 3.64 -1.87 0.20 116.57 117.11 1qab h LYS 76 Ca -0.63 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1qab h LYS 76 Cb 1.76 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.57 1qab h LYS 76 CO -0.24 -0.02 -0.07 0.43 -2.27 0.00 0.00 179.45 177.27 1qab n SER 77 N -3.71 -0.13 -0.29 4.20 7.64 -1.26 -0.45 113.62 119.62 1qab n SER 77 Ca 0.00 1.04 -0.07 0.00 1.01 0.00 0.00 58.87 60.84 1qab n SER 77 Cb 0.09 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1qab n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qab n TYR 78 N -3.24 -0.30 0.07 1.43 9.36 -0.73 -1.00 117.16 122.76 1qab n TYR 78 Ca 0.00 0.85 -0.12 0.00 3.32 0.00 0.00 57.90 61.96 1qab n TYR 78 Cb 0.03 -0.55 -0.05 0.00 -0.63 0.00 0.00 39.34 38.14 1qab n TYR 78 CO 0.00 0.00 0.00 -1.49 0.22 0.00 0.00 176.86 175.59 1qab h TRP 79 N 0.00 -0.38 -0.07 2.98 -0.00 0.11 -1.37 115.95 117.23 1qab h TRP 79 Ca 0.11 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.03 1qab h TRP 79 Cb 0.28 0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1qab h TRP 79 CO -0.74 -0.22 0.07 0.87 -0.00 0.00 0.00 178.44 178.42 1qab h LYS 80 N -0.27 0.00 0.00 0.49 1.57 0.38 0.65 116.57 119.39 1qab h LYS 80 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1qab h LYS 80 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1qab h LYS 80 CO -0.11 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 1qab n ALA 81 N -2.36 1.94 -0.10 3.86 0.00 -0.17 -1.73 120.51 121.96 1qab n ALA 81 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1qab n ALA 81 Cb 0.17 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 1qab n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qab n LEU 82 N -1.75 0.07 0.00 0.00 4.32 0.19 -5.00 117.00 114.83 1qab n LEU 82 Ca 0.05 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1qab n LEU 82 Cb 0.27 0.45 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 1qab n LEU 82 CO 0.21 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 1qab n GLY 83 N 1.82 0.82 3.81 -0.72 0.00 0.84 -5.11 105.19 106.65 1qab n GLY 83 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 5.28 0.17 -0.61 1.01 -1.02 -4.94 121.20 119.09 1qab s ILE 84 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1qab s ILE 84 Cb 0.00 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 1qab s ILE 84 CO 0.00 0.52 0.89 -0.94 0.00 0.00 0.00 174.94 175.41 1qab s SER 85 N -0.47 7.51 0.56 3.58 1.04 -1.26 -3.55 113.70 121.11 1qab s SER 85 Ca 0.18 1.79 0.09 0.00 0.48 0.00 0.00 55.95 58.50 1qab s SER 85 Cb -0.14 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.49 1qab s SER 85 CO 0.07 0.10 0.75 -2.16 0.98 0.00 0.00 173.24 172.97 1qab s PRO 86 N -0.75 2.34 -0.16 4.02 0.04 -1.26 -4.94 135.00 134.29 1qab s PRO 86 Ca 0.41 -1.64 -0.13 0.00 0.04 0.00 0.00 61.00 59.68 1qab s PRO 86 Cb -0.24 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1qab s PRO 86 CO 0.29 -0.80 -0.10 0.34 0.04 0.00 0.00 177.00 176.77 1qab n PHE 87 N -2.18 0.88 -0.51 0.56 7.35 -0.42 -5.01 117.46 118.13 1qab n PHE 87 Ca 0.14 0.38 -0.19 0.00 -0.76 0.00 0.00 57.45 57.02 1qab n PHE 87 Cb 0.62 -0.84 0.17 0.00 0.35 0.00 0.00 39.48 39.78 1qab n PHE 87 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1qab n HIS 88 N -4.56 -3.37 0.00 -5.13 8.25 -1.26 -5.01 115.22 104.15 1qab n HIS 88 Ca -0.15 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1qab n HIS 88 Cb 0.39 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1qab n HIS 88 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1qab n GLU 89 N -3.99 3.31 0.00 -0.41 -0.58 -1.26 -4.81 120.64 112.90 1qab n GLU 89 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1qab n GLU 89 Cb 0.38 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 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 -1.13 0.00 -4.14 -0.32 1.44 -1.26 -4.72 115.22 105.09 1qab n HIS 90 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1qab n HIS 90 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 -2.00 3.35 0.10 1.59 0.00 -0.42 -4.96 121.76 119.42 1qab s ALA 91 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.29 1qab s ALA 91 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1qab s ALA 91 CO 0.00 0.29 -0.19 -1.21 0.00 0.00 0.00 175.76 174.66 1qab s GLU 92 N 0.03 1.80 -0.22 0.00 2.02 -1.26 -0.74 118.70 120.32 1qab s GLU 92 Ca 0.04 -1.16 -0.04 0.00 0.02 0.00 0.00 54.97 53.83 1qab s GLU 92 Cb -0.12 -2.11 0.08 0.00 0.10 0.00 0.00 34.13 32.08 1qab s GLU 92 CO 0.01 0.49 0.10 0.08 0.02 0.00 0.00 175.26 175.96 1qab s VAL 93 N -1.10 0.04 -0.16 2.63 1.01 0.74 -4.94 120.40 118.62 1qab s VAL 93 Ca 0.17 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1qab s VAL 93 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1qab s VAL 93 CO 0.09 -0.46 0.04 -0.69 0.00 0.00 0.00 175.10 174.08 1qab s VAL 94 N 2.07 4.58 -0.19 2.92 1.01 -1.25 0.16 120.40 129.70 1qab s VAL 94 Ca 0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1qab s VAL 94 Cb -0.16 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.26 1qab s VAL 94 CO -0.20 0.49 0.73 0.72 0.00 0.00 0.00 175.10 176.84 1qab s PHE 95 N 0.16 -0.71 -0.31 5.22 -0.71 0.39 -4.95 117.98 117.05 1qab s PHE 95 Ca 0.03 1.56 -0.29 0.00 -1.04 0.00 0.00 56.93 57.19 1qab s PHE 95 Cb -0.13 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1qab s PHE 95 CO 0.01 -0.46 1.40 0.99 -1.34 0.00 0.00 175.22 175.83 1qab s THR 96 N -0.26 3.98 -0.90 -4.49 2.01 -1.26 -1.33 115.64 113.38 1qab s THR 96 Ca -0.04 1.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.85 1qab s THR 96 Cb -0.03 -4.07 0.13 0.00 0.01 0.00 0.00 72.50 68.54 1qab s THR 96 CO 0.04 -0.51 1.10 0.00 -0.69 0.00 0.00 174.62 174.55 1qab s ALA 97 N 4.87 3.38 0.05 7.40 0.00 0.59 -4.97 121.76 133.09 1qab s ALA 97 Ca 0.61 -2.73 -0.14 0.00 0.00 0.00 0.00 51.96 49.70 1qab s ALA 97 Cb -0.18 -4.01 -0.06 0.00 0.00 0.00 0.00 23.12 18.88 1qab s ALA 97 CO 0.27 -2.93 0.44 1.21 0.00 0.00 0.00 175.76 174.75 1qab s ASN 98 N 3.58 6.79 0.13 0.00 3.84 -1.26 -2.58 114.94 125.44 1qab s ASN 98 Ca 0.31 0.96 0.16 0.00 0.21 0.00 0.00 52.86 54.50 1qab s ASN 98 Cb -0.06 -2.25 0.72 0.00 -0.55 0.00 0.00 41.25 39.11 1qab s ASN 98 CO -0.08 0.25 1.50 0.47 -2.79 0.00 0.00 177.10 176.45 1qab n ASP 99 N 1.40 0.30 0.00 -4.21 9.92 -1.26 -4.30 116.55 118.41 1qab n ASP 99 Ca -0.11 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1qab n ASP 99 Cb 0.52 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1qab n ASP 99 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qab n SER 100 N -1.85 0.00 0.00 -2.24 3.41 -1.26 -4.61 113.62 107.07 1qab n SER 100 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1qab n SER 100 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.64 -1.79 3.78 5.00 0.00 -1.26 -5.11 105.19 105.16 1qab n GLY 101 Ca 0.00 0.75 -0.37 0.00 0.00 0.00 0.00 46.02 46.40 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 0.47 3.88 -0.02 1.61 0.04 -1.21 -4.98 135.00 134.79 1qab s PRO 102 Ca 0.00 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1qab s PRO 102 Cb 0.00 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.15 1qab s PRO 102 CO 0.00 -0.42 0.86 0.54 0.04 0.00 0.00 177.00 178.01 1qab n ARG 103 N -0.40 0.41 -3.12 4.56 5.12 -1.26 -4.94 116.66 117.02 1qab n ARG 103 Ca 0.07 -1.07 -0.42 0.00 -1.93 0.00 0.00 57.85 54.50 1qab n ARG 103 Cb 0.49 -0.66 -0.07 0.00 -1.16 0.00 0.00 32.46 31.06 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 -0.43 3.57 -0.13 5.56 1.81 -1.26 -4.94 118.95 123.12 1qab s ARG 104 Ca 0.04 -0.08 -0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1qab s ARG 104 Cb 0.03 -3.84 -0.02 0.00 -0.45 0.00 0.00 34.95 30.67 1qab s ARG 104 CO 0.00 -0.80 -0.12 0.71 -0.68 0.00 0.00 175.30 174.42 1qab s TYR 105 N 2.71 2.83 -0.20 -0.53 1.51 -1.25 -3.82 117.35 118.60 1qab s TYR 105 Ca 0.23 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1qab s TYR 105 Cb -0.14 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1qab s TYR 105 CO 0.16 -0.19 -0.13 0.99 -1.11 0.00 0.00 175.55 175.27 1qab s THR 106 N 0.34 1.80 -0.35 -0.71 2.01 -1.26 -2.05 115.64 115.42 1qab s THR 106 Ca -0.10 -1.07 -0.07 0.00 0.31 0.00 0.00 61.69 60.76 1qab s THR 106 Cb -0.16 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.58 1qab s THR 106 CO 0.05 0.23 0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 1qab s ILE 107 N 1.34 3.81 0.17 1.82 1.01 -1.13 -3.19 121.20 125.02 1qab s ILE 107 Ca -0.01 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.55 1qab s ILE 107 Cb -0.16 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1qab s ILE 107 CO -0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 174.94 174.56 1qab s ALA 108 N 1.40 3.00 0.05 9.38 0.00 -1.04 -1.20 121.76 133.35 1qab s ALA 108 Ca -0.01 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1qab s ALA 108 Cb -0.20 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1qab s ALA 108 CO 0.03 0.49 -0.06 0.00 0.00 0.00 0.00 175.76 176.22 1qab s ALA 109 N -1.64 0.58 -0.22 0.00 0.00 -0.75 -2.99 121.76 116.74 1qab s ALA 109 Ca 0.25 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1qab s ALA 109 Cb -0.09 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1qab s ALA 109 CO 0.16 -0.15 0.03 -1.17 0.00 0.00 0.00 175.76 174.63 1qab s LEU 110 N -2.10 1.55 -0.14 0.00 2.96 -1.07 -1.71 118.68 118.17 1qab s LEU 110 Ca -0.03 -0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 52.86 1qab s LEU 110 Cb -0.04 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1qab s LEU 110 CO -0.03 -0.31 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.93 1qab s LEU 111 N 1.75 3.44 0.12 -0.68 1.43 0.20 -2.67 118.68 122.27 1qab s LEU 111 Ca -0.01 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1qab s LEU 111 Cb -0.17 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1qab s LEU 111 CO -0.10 0.23 -0.07 -0.44 0.23 0.00 0.00 176.35 176.20 1qab s SER 112 N 0.01 1.39 0.41 2.29 0.01 -0.77 -0.98 113.70 116.07 1qab s SER 112 Ca 0.02 -1.02 0.19 0.00 1.31 0.00 0.00 55.95 56.45 1qab s SER 112 Cb -0.13 0.06 1.11 0.00 0.21 0.00 0.00 66.02 67.27 1qab s SER 112 CO 0.02 -0.42 1.82 -0.65 0.41 0.00 0.00 173.24 174.42 1qab h PRO 113 N 2.87 0.38 -0.26 12.44 0.11 -1.99 -3.08 132.00 142.47 1qab h PRO 113 Ca -0.36 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.52 1qab h PRO 113 Cb 1.18 -0.08 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 1qab h PRO 113 CO 0.64 0.25 -0.71 0.66 -0.21 0.00 0.00 178.00 178.63 1qab n TYR 114 N -4.54 0.94 0.00 0.65 4.02 -1.26 -1.30 117.16 115.67 1qab n TYR 114 Ca 0.22 -1.65 0.00 0.00 -0.01 0.00 0.00 57.90 56.46 1qab n TYR 114 Cb 0.79 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1qab n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qab n SER 115 N -0.77 0.00 -3.67 7.72 2.88 -1.16 -4.98 113.62 113.64 1qab n SER 115 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1qab n SER 115 Cb 0.84 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.22 1qab n SER 115 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1qab s TYR 116 N -2.00 -0.68 0.46 0.66 -0.85 -1.26 -1.84 117.35 111.85 1qab s TYR 116 Ca 0.00 1.62 0.06 0.00 -0.52 0.00 0.00 57.07 58.22 1qab s TYR 116 Cb 0.00 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 1qab s TYR 116 CO 0.00 -0.33 0.18 -1.54 -1.52 0.00 0.00 175.55 172.34 1qab s SER 117 N 0.43 4.37 -0.27 -0.18 1.04 -1.09 -4.95 113.70 113.06 1qab s SER 117 Ca -0.01 -1.25 -0.24 0.00 0.48 0.00 0.00 55.95 54.93 1qab s SER 117 Cb -0.04 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1qab s SER 117 CO -0.01 -0.72 0.71 0.28 0.98 0.00 0.00 173.24 174.48 1qab s THR 118 N -2.70 -0.00 0.25 2.02 -1.32 -1.26 -2.58 115.64 110.05 1qab s THR 118 Ca 0.32 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.84 1qab s THR 118 Cb 0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1qab s THR 118 CO 0.18 0.00 -0.00 0.28 -2.21 0.00 0.00 174.62 172.87 1qab s THR 119 N 0.48 1.14 0.06 5.08 -1.32 -1.16 -5.03 115.64 114.89 1qab s THR 119 Ca -0.01 -2.04 -0.00 0.00 -1.21 0.00 0.00 61.69 58.43 1qab s THR 119 Cb -0.05 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1qab s THR 119 CO -0.01 -0.28 -0.04 0.00 -2.21 0.00 0.00 174.62 172.09 1qab s ALA 120 N -3.35 0.62 0.00 11.08 0.00 -1.26 -2.49 121.76 126.35 1qab s ALA 120 Ca 0.30 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1qab s ALA 120 Cb 0.06 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1qab s ALA 120 CO 0.10 -0.31 0.00 0.28 0.00 0.00 0.00 175.76 175.83 1qab n VAL 121 N 0.18 0.00 -1.75 0.00 0.31 -1.19 -4.99 118.33 110.89 1qab n VAL 121 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1qab n VAL 121 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1qab n VAL 121 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1qab n VAL 122 N 0.00 -4.78 -2.11 2.52 0.31 -1.25 -4.80 118.33 108.22 1qab n VAL 122 Ca 0.00 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.76 1qab n VAL 122 Cb 0.00 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 30.63 1qab n VAL 122 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1qab n THR 123 N 1.25 0.00 -2.52 2.52 5.66 -1.26 -4.96 114.28 114.98 1qab n THR 123 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1qab n THR 123 Cb 0.00 -0.47 -0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1qab n THR 123 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1qab n ASN 124 N 0.00 5.43 -4.16 1.09 4.13 -1.26 -3.35 115.26 117.14 1qab n ASN 124 Ca 0.00 -3.73 -0.16 0.00 1.68 0.00 0.00 54.58 52.37 1qab n ASN 124 Cb 0.00 -0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 37.49 1qab n ASN 124 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1qab n PRO 125 N -0.39 0.04 -2.92 3.52 -0.02 -1.26 -4.58 135.00 129.40 1qab n PRO 125 Ca 0.40 -1.00 0.01 0.00 -2.02 0.00 0.00 63.50 60.89 1qab n PRO 125 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1qab n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qab s LYS 126 N 6.87 0.47 0.00 -0.52 2.47 -1.26 -5.01 119.74 122.76 1qab s LYS 126 Ca 0.52 -0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.73 1qab s LYS 126 Cb 0.01 0.04 0.00 0.00 -1.46 0.00 0.00 37.83 36.42 1qab s LYS 126 CO 0.16 -0.66 0.41 -1.91 0.16 0.00 0.00 175.35 173.51