#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbb s VAL 4 N 0.00 1.94 -0.09 0.00 1.01 -1.26 -0.41 120.40 121.59 1sbb s VAL 4 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 61.98 60.19 1sbb s VAL 4 Cb 0.00 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1sbb s VAL 4 CO 0.00 -0.29 0.12 -0.89 0.00 0.00 0.00 175.10 174.05 1sbb s THR 5 N 1.15 5.26 -0.01 3.92 2.01 0.81 -4.37 115.64 124.41 1sbb s THR 5 Ca -0.00 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1sbb s THR 5 Cb -0.19 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1sbb s THR 5 CO -0.08 0.55 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.11 1sbb s GLN 6 N -1.22 2.25 -0.04 4.92 -0.21 -1.26 -0.84 119.66 123.26 1sbb s GLN 6 Ca 0.17 -0.85 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 1sbb s GLN 6 Cb -0.12 -2.22 0.03 0.00 1.00 0.00 0.00 33.01 31.70 1sbb s GLN 6 CO 0.07 0.58 0.05 -1.12 -2.12 0.00 0.00 175.29 172.75 1sbb s SER 7 N -0.92 1.02 0.86 5.90 0.01 -0.52 -4.23 113.70 115.82 1sbb s SER 7 Ca 0.12 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.36 1sbb s SER 7 Cb -0.10 -0.16 0.18 0.00 0.21 0.00 0.00 66.02 66.15 1sbb s SER 7 CO 0.01 -0.23 1.17 -2.16 0.41 0.00 0.00 173.24 172.45 1sbb s PRO 8 N 1.98 1.00 -0.01 12.44 0.04 -1.26 -0.44 135.00 148.75 1sbb s PRO 8 Ca 0.03 -0.91 0.11 0.00 0.04 0.00 0.00 61.00 60.27 1sbb s PRO 8 Cb -0.12 -2.10 -0.23 0.00 0.04 0.00 0.00 34.50 32.09 1sbb s PRO 8 CO -0.03 -2.03 0.79 0.00 0.04 0.00 0.00 177.00 175.77 1sbb h ARG 9 N -1.13 0.01 -3.82 4.56 2.47 -1.86 -3.43 114.38 111.17 1sbb h ARG 9 Ca -0.39 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.14 1sbb h ARG 9 Cb 1.24 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.33 1sbb h ARG 9 CO 0.35 0.61 -0.67 -0.80 0.56 0.00 0.00 179.97 180.02 1sbb s ASN 10 N -6.24 0.13 -0.28 7.04 0.01 -1.26 -0.57 114.94 113.77 1sbb s ASN 10 Ca -0.04 -0.29 -0.20 0.00 -0.71 0.00 0.00 52.86 51.62 1sbb s ASN 10 Cb 0.08 0.10 0.10 0.00 0.41 0.00 0.00 41.25 41.94 1sbb s ASN 10 CO 0.82 -0.22 0.82 -0.75 -1.51 0.00 0.00 177.10 176.26 1sbb s LYS 11 N -1.00 0.63 -0.11 -0.60 2.47 0.86 -4.91 119.74 117.08 1sbb s LYS 11 Ca -0.11 0.95 0.02 0.00 -1.56 0.00 0.00 55.97 55.27 1sbb s LYS 11 Cb -0.07 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1sbb s LYS 11 CO -0.00 -0.11 -0.17 0.54 0.16 0.00 0.00 175.35 175.77 1sbb s VAL 12 N 1.05 1.63 0.15 4.02 0.11 -1.26 -1.43 120.40 124.67 1sbb s VAL 12 Ca -0.05 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1sbb s VAL 12 Cb -0.05 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1sbb s VAL 12 CO -0.12 0.47 -0.02 0.00 -3.33 0.00 0.00 175.10 172.10 1sbb s ALA 13 N 0.87 1.22 0.27 1.54 0.00 0.26 -4.95 121.76 120.96 1sbb s ALA 13 Ca -0.08 -1.52 -0.12 0.00 0.00 0.00 0.00 51.96 50.24 1sbb s ALA 13 Cb -0.15 0.45 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 1sbb s ALA 13 CO -0.00 -0.30 0.62 0.08 0.00 0.00 0.00 175.76 176.16 1sbb s VAL 14 N -3.67 4.83 0.22 0.00 1.01 -1.25 -0.64 120.40 120.91 1sbb s VAL 14 Ca 0.20 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 1sbb s VAL 14 Cb 0.06 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 1sbb s VAL 14 CO 0.01 -0.11 1.66 -0.89 0.00 0.00 0.00 175.10 175.77 1sbb s THR 15 N -1.88 2.16 0.00 3.92 2.01 -1.01 -1.92 115.64 118.92 1sbb s THR 15 Ca 0.50 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1sbb s THR 15 Cb -0.11 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1sbb s THR 15 CO 0.20 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1sbb n GLY 16 N 3.47 2.88 3.83 4.40 0.00 0.11 -4.95 105.19 114.93 1sbb n GLY 16 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1sbb n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sbb s GLY 17 N -2.69 1.88 0.17 -0.02 0.00 -0.81 -4.29 107.32 101.55 1sbb s GLY 17 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 1sbb s GLY 17 CO 0.00 0.47 0.60 1.25 0.00 0.00 0.00 173.10 175.42 1sbb s LYS 18 N -4.59 4.08 -0.04 2.90 2.20 -1.25 -0.10 119.74 122.94 1sbb s LYS 18 Ca 0.59 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1sbb s LYS 18 Cb -0.13 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1sbb s LYS 18 CO 0.45 0.46 0.09 0.08 -0.36 0.00 0.00 175.35 176.07 1sbb s VAL 19 N -1.46 -0.02 -0.05 4.02 1.01 0.16 -4.97 120.40 119.09 1sbb s VAL 19 Ca 0.39 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1sbb s VAL 19 Cb -0.16 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1sbb s VAL 19 CO 0.20 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.40 1sbb s THR 20 N 0.44 0.52 -0.17 3.92 2.01 -1.26 -0.17 115.64 120.93 1sbb s THR 20 Ca -0.03 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 1sbb s THR 20 Cb -0.05 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1sbb s THR 20 CO -0.02 0.24 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.35 1sbb s LEU 21 N 1.15 3.17 0.19 4.42 1.43 -0.27 -4.68 118.68 124.10 1sbb s LEU 21 Ca -0.07 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1sbb s LEU 21 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1sbb s LEU 21 CO -0.01 0.13 0.24 -0.44 0.23 0.00 0.00 176.35 176.50 1sbb s SER 22 N 0.56 5.91 -0.05 2.29 0.01 0.41 -0.86 113.70 121.98 1sbb s SER 22 Ca -0.03 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1sbb s SER 22 Cb -0.14 -1.65 0.04 0.00 0.21 0.00 0.00 66.02 64.47 1sbb s SER 22 CO 0.03 0.01 0.10 0.00 0.41 0.00 0.00 173.24 173.79 1sbb s GLN 24 N 1.25 2.58 0.23 0.00 -1.52 -0.02 -2.77 119.66 119.41 1sbb s GLN 24 Ca -0.08 -0.67 0.09 0.00 -1.95 0.00 0.00 55.36 52.75 1sbb s GLN 24 Cb -0.12 -2.25 -0.04 0.00 -0.22 0.00 0.00 33.01 30.37 1sbb s GLN 24 CO -0.05 -0.18 0.01 1.14 -0.25 0.00 0.00 175.29 175.97 1sbb s GLN 25 N 1.29 2.39 -0.08 2.91 -2.07 -0.74 -0.14 119.66 123.22 1sbb s GLN 25 Ca 0.02 -1.27 0.13 0.00 -1.82 0.00 0.00 55.36 52.41 1sbb s GLN 25 Cb -0.13 -2.27 0.24 0.00 -1.09 0.00 0.00 33.01 29.76 1sbb s GLN 25 CO -0.09 0.40 1.12 0.25 -1.32 0.00 0.00 175.29 175.64 1sbb n THR 26 N -0.64 1.04 1.01 3.63 -2.24 0.45 -4.71 114.28 112.81 1sbb n THR 26 Ca -0.08 -1.51 0.11 0.00 -2.27 0.00 0.00 64.05 60.30 1sbb n THR 26 Cb 0.57 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1sbb n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sbb n ASN 27 N -0.61 1.93 -3.63 3.42 3.02 -1.26 -4.39 115.26 113.73 1sbb n ASN 27 Ca 0.10 -1.46 -0.23 0.00 -0.03 0.00 0.00 54.58 52.96 1sbb n ASN 27 Cb 0.75 0.51 0.07 0.00 -0.61 0.00 0.00 39.78 40.49 1sbb n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sbb n ASN 28 N -0.15 -4.29 -4.80 6.41 5.15 -1.26 -4.96 115.26 111.36 1sbb n ASN 28 Ca 0.09 -0.64 -0.38 0.00 -0.60 0.00 0.00 54.58 53.05 1sbb n ASN 28 Cb 0.46 -4.72 -0.06 0.00 -0.53 0.00 0.00 39.78 34.93 1sbb n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1sbb s HIS 29 N -3.37 3.68 0.02 1.20 3.76 -1.26 -4.99 115.29 114.32 1sbb s HIS 29 Ca 0.37 0.98 -0.20 0.00 -0.15 0.00 0.00 55.06 56.07 1sbb s HIS 29 Cb -0.17 -2.38 -0.17 0.00 1.11 0.00 0.00 32.58 30.97 1sbb s HIS 29 CO 0.76 0.51 1.25 -0.91 -0.85 0.00 0.00 174.74 175.50 1sbb h ASN 30 N 5.25 0.42 -3.39 1.40 2.35 -1.87 -3.45 115.58 116.30 1sbb h ASN 30 Ca -0.48 -0.58 -0.55 0.00 -0.55 0.00 0.00 56.30 54.14 1sbb h ASN 30 Cb 1.21 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1sbb h ASN 30 CO 0.66 0.93 0.09 0.20 -1.65 0.00 0.00 177.43 177.65 1sbb s ASN 31 N -6.32 7.23 0.02 5.81 -0.87 -1.25 -2.99 114.94 116.57 1sbb s ASN 31 Ca -0.14 1.45 -0.02 0.00 -1.57 0.00 0.00 52.86 52.58 1sbb s ASN 31 Cb 0.05 -2.44 -0.01 0.00 -0.02 0.00 0.00 41.25 38.83 1sbb s ASN 31 CO 0.77 0.21 0.03 -0.04 -2.57 0.00 0.00 177.10 175.50 1sbb s MET 32 N -0.97 0.38 0.10 -0.60 -1.94 -1.03 -1.15 119.30 114.09 1sbb s MET 32 Ca 0.33 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1sbb s MET 32 Cb -0.21 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 36.73 1sbb s MET 32 CO 0.23 -0.08 -0.03 0.71 -0.01 0.00 0.00 175.02 175.84 1sbb s TYR 33 N -1.56 0.80 -0.16 -0.03 1.51 -0.34 -1.15 117.35 116.42 1sbb s TYR 33 Ca -0.15 -1.03 -0.03 0.00 -1.01 0.00 0.00 57.07 54.86 1sbb s TYR 33 Cb -0.08 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1sbb s TYR 33 CO -0.01 -0.29 0.04 -1.58 -1.11 0.00 0.00 175.55 172.60 1sbb s TRP 34 N -3.79 0.75 0.47 2.71 0.23 -0.93 -2.44 118.94 115.94 1sbb s TRP 34 Ca 0.13 -0.55 0.04 0.00 -2.03 0.00 0.00 56.10 53.69 1sbb s TRP 34 Cb 0.07 -0.89 -0.03 0.00 0.03 0.00 0.00 33.47 32.64 1sbb s TRP 34 CO -0.05 -0.51 0.06 0.71 0.96 0.00 0.00 176.95 178.12 1sbb s TYR 35 N 1.95 2.13 -0.05 -1.98 1.51 0.12 -1.05 117.35 119.99 1sbb s TYR 35 Ca 0.01 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1sbb s TYR 35 Cb -0.16 -1.73 0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1sbb s TYR 35 CO -0.07 0.23 0.10 -0.98 -1.11 0.00 0.00 175.55 173.72 1sbb s ARG 36 N -3.86 0.01 -0.10 -0.62 1.70 -0.70 -1.19 118.95 114.18 1sbb s ARG 36 Ca 0.21 0.36 -0.17 0.00 -0.47 0.00 0.00 55.73 55.67 1sbb s ARG 36 Cb 0.04 -0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.09 1sbb s ARG 36 CO 0.11 -0.23 0.43 -1.14 -1.08 0.00 0.00 175.30 173.39 1sbb s GLN 37 N 1.59 4.24 -0.03 3.89 2.00 0.66 -2.27 119.66 129.75 1sbb s GLN 37 Ca -0.04 0.37 0.01 0.00 -2.00 0.00 0.00 55.36 53.70 1sbb s GLN 37 Cb -0.12 -3.39 0.02 0.00 0.80 0.00 0.00 33.01 30.32 1sbb s GLN 37 CO -0.04 0.28 -0.01 -0.51 -0.50 0.00 0.00 175.29 174.51 1sbb s ASP 38 N 0.25 0.44 -0.59 6.67 1.01 -1.13 -3.41 116.67 119.91 1sbb s ASP 38 Ca 0.24 -0.04 -0.26 0.00 0.71 0.00 0.00 52.55 53.19 1sbb s ASP 38 Cb -0.15 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 1sbb s ASP 38 CO 0.10 -0.07 2.03 -0.89 0.21 0.00 0.00 175.17 176.55 1sbb s THR 39 N 0.81 3.25 0.00 -1.27 2.01 -1.26 -1.76 115.64 117.42 1sbb s THR 39 Ca -0.08 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1sbb s THR 39 Cb -0.12 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1sbb s THR 39 CO -0.01 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1sbb n GLY 40 N 5.84 3.61 3.95 4.40 0.00 -1.26 -5.07 105.19 116.66 1sbb n GLY 40 Ca 0.26 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1sbb n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sbb s HIS 41 N 0.00 2.95 0.00 1.61 4.02 -0.72 -5.10 115.29 118.05 1sbb s HIS 41 Ca 0.00 0.27 0.00 0.00 1.02 0.00 0.00 55.06 56.35 1sbb s HIS 41 Cb 0.00 -2.91 0.00 0.00 -1.02 0.00 0.00 32.58 28.65 1sbb s HIS 41 CO 0.00 -1.07 0.00 0.41 1.02 0.00 0.00 174.74 175.10 1sbb n GLY 42 N -2.60 0.58 3.39 -2.22 0.00 -1.26 -4.22 105.19 98.86 1sbb n GLY 42 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1sbb n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sbb s LEU 43 N 0.00 4.22 -0.12 0.99 2.96 -1.26 -2.86 118.68 122.61 1sbb s LEU 43 Ca 0.00 -0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 53.17 1sbb s LEU 43 Cb 0.00 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1sbb s LEU 43 CO 0.00 -0.25 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.61 1sbb s ARG 44 N 1.56 3.33 0.02 1.98 0.52 -0.96 -4.94 118.95 120.46 1sbb s ARG 44 Ca 0.03 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1sbb s ARG 44 Cb -0.18 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1sbb s ARG 44 CO 0.05 0.42 0.99 -1.17 0.02 0.00 0.00 175.30 175.62 1sbb s LEU 45 N -0.13 4.39 -0.17 2.53 2.96 -1.26 -1.72 118.68 125.28 1sbb s LEU 45 Ca 0.02 1.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 1sbb s LEU 45 Cb -0.13 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1sbb s LEU 45 CO 0.03 -0.24 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.15 1sbb n ILE 46 N 3.71 1.47 -3.76 6.68 5.41 -0.21 -0.64 119.36 132.02 1sbb n ILE 46 Ca 0.06 0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 1sbb n ILE 46 Cb 0.50 -2.34 -0.09 0.00 -0.71 0.00 0.00 39.64 37.00 1sbb n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1sbb s HIS 47 N -2.66 -0.23 0.31 1.39 3.76 -1.22 0.03 115.29 116.66 1sbb s HIS 47 Ca -0.25 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 1sbb s HIS 47 Cb 0.04 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.79 1sbb s HIS 47 CO 0.37 -0.32 0.13 1.52 -0.85 0.00 0.00 174.74 175.58 1sbb s TYR 48 N -0.87 1.65 0.02 1.40 1.13 -0.17 -2.18 117.35 118.32 1sbb s TYR 48 Ca -0.09 -1.28 0.02 0.00 -1.41 0.00 0.00 57.07 54.30 1sbb s TYR 48 Cb -0.04 -0.95 -0.01 0.00 -1.10 0.00 0.00 41.96 39.86 1sbb s TYR 48 CO 0.03 -0.40 -0.06 0.45 -2.51 0.00 0.00 175.55 173.06 1sbb s SER 49 N -3.40 0.65 0.02 -0.18 0.15 -0.30 0.02 113.70 110.66 1sbb s SER 49 Ca 0.35 -0.29 0.22 0.00 0.70 0.00 0.00 55.95 56.93 1sbb s SER 49 Cb 0.06 -0.01 -0.16 0.00 -1.71 0.00 0.00 66.02 64.20 1sbb s SER 49 CO 0.16 -0.07 0.81 -1.22 1.20 0.00 0.00 173.24 174.12 1sbb n TYR 50 N 2.29 0.14 -0.83 3.44 4.01 -1.26 -2.46 117.16 122.49 1sbb n TYR 50 Ca -0.17 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1sbb n TYR 50 Cb 0.57 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1sbb n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sbb n GLY 51 N 1.36 -1.89 3.67 2.72 0.00 -1.16 -4.27 105.19 105.61 1sbb n GLY 51 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1sbb n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbb n ALA 52 N 0.00 0.92 -0.85 4.61 0.00 -1.26 -0.94 120.51 122.98 1sbb n ALA 52 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1sbb n ALA 52 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1sbb n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sbb n GLY 53 N 0.91 0.49 3.69 0.00 0.00 0.44 -4.99 105.19 105.73 1sbb n GLY 53 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1sbb n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sbb s SER 54 N -2.41 5.63 -0.23 1.61 0.15 -0.12 -4.96 113.70 113.37 1sbb s SER 54 Ca 0.00 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1sbb s SER 54 Cb 0.00 -1.84 0.11 0.00 -1.71 0.00 0.00 66.02 62.59 1sbb s SER 54 CO 0.00 0.28 0.29 0.42 1.20 0.00 0.00 173.24 175.43 1sbb s THR 55 N -0.27 -0.45 0.19 6.45 -4.23 -1.26 -4.38 115.64 111.69 1sbb s THR 55 Ca 0.08 -0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1sbb s THR 55 Cb -0.12 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 1sbb s THR 55 CO 0.02 -0.20 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.27 1sbb s GLU 56 N 2.42 2.34 -0.00 3.99 0.41 0.10 -4.98 118.70 122.98 1sbb s GLU 56 Ca 0.09 -1.17 -0.13 0.00 -0.41 0.00 0.00 54.97 53.35 1sbb s GLU 56 Cb -0.15 -2.30 -0.06 0.00 -1.78 0.00 0.00 34.13 29.84 1sbb s GLU 56 CO -0.16 0.44 0.38 -1.59 -0.49 0.00 0.00 175.26 173.84 1sbb s LYS 57 N -3.02 3.84 0.00 1.61 -2.85 -1.26 -1.00 119.74 117.06 1sbb s LYS 57 Ca 0.27 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 1sbb s LYS 57 Cb -0.09 -3.18 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 1sbb s LYS 57 CO 0.18 0.68 0.00 0.41 0.10 0.00 0.00 175.35 176.72 1sbb n GLY 58 N 1.70 1.63 0.18 0.59 0.00 0.10 -4.80 105.19 104.58 1sbb n GLY 58 Ca -0.14 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1sbb n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sbb h ASP 59 N 0.00 0.50 -2.12 1.61 3.32 -1.08 -3.37 116.42 115.29 1sbb h ASP 59 Ca 0.00 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 56.34 1sbb h ASP 59 Cb 0.00 -0.13 -0.41 0.00 0.22 0.00 0.00 39.33 39.01 1sbb h ASP 59 CO 0.00 0.49 -0.82 2.30 -1.72 0.00 0.00 179.24 179.49 1sbb n ILE 60 N -4.70 1.13 0.26 0.35 -5.35 -0.26 -4.93 119.36 105.86 1sbb n ILE 60 Ca -0.00 -4.76 0.12 0.00 -0.27 0.00 0.00 62.75 57.83 1sbb n ILE 60 Cb 0.12 -1.89 0.69 0.00 -1.74 0.00 0.00 39.64 36.81 1sbb n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1sbb h PRO 61 N 3.95 0.00 -4.57 6.28 0.13 -1.72 -3.43 132.00 132.65 1sbb h PRO 61 Ca 0.14 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.61 1sbb h PRO 61 Cb 0.75 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.89 1sbb h PRO 61 CO 0.68 0.13 0.45 -0.25 -0.23 0.00 0.00 178.00 178.78 1sbb n ASP 62 N -3.68 0.77 -0.66 1.44 9.92 -1.26 -1.04 116.55 122.04 1sbb n ASP 62 Ca -0.02 0.90 -0.09 0.00 -0.53 0.00 0.00 54.79 55.06 1sbb n ASP 62 Cb 0.25 -0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 40.02 1sbb n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sbb n GLY 63 N 2.74 0.99 3.00 0.44 0.00 -1.26 -5.01 105.19 106.09 1sbb n GLY 63 Ca 0.22 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1sbb n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sbb s TYR 65 N -2.14 0.60 0.52 1.61 2.02 -0.20 -4.62 117.35 115.14 1sbb s TYR 65 Ca 0.00 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1sbb s TYR 65 Cb 0.00 -0.38 -0.00 0.00 -0.40 0.00 0.00 41.96 41.18 1sbb s TYR 65 CO 0.00 -0.03 0.03 0.15 -1.57 0.00 0.00 175.55 174.14 1sbb s LYS 66 N -0.58 2.22 0.18 -0.62 1.02 0.66 -4.95 119.74 117.67 1sbb s LYS 66 Ca -0.01 -2.40 -0.24 0.00 0.02 0.00 0.00 55.97 53.34 1sbb s LYS 66 Cb -0.05 -1.56 0.05 0.00 -0.52 0.00 0.00 37.83 35.75 1sbb s LYS 66 CO 0.00 -0.41 0.88 0.00 -0.92 0.00 0.00 175.35 174.90 1sbb s ALA 67 N -2.89 -1.54 -0.28 5.17 0.00 -1.26 -1.21 121.76 119.75 1sbb s ALA 67 Ca 0.05 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 1sbb s ALA 67 Cb 0.01 0.70 0.10 0.00 0.00 0.00 0.00 23.12 23.92 1sbb s ALA 67 CO 0.03 -1.02 0.73 0.45 0.00 0.00 0.00 175.76 175.94 1sbb s SER 68 N -2.92 -0.92 -0.83 0.00 0.15 -0.54 -4.94 113.70 103.71 1sbb s SER 68 Ca 0.11 1.43 0.01 0.00 0.70 0.00 0.00 55.95 58.20 1sbb s SER 68 Cb -0.03 1.53 0.23 0.00 -1.71 0.00 0.00 66.02 66.03 1sbb s SER 68 CO 0.03 -0.22 0.79 -1.14 1.20 0.00 0.00 173.24 173.90 1sbb n ARG 69 N 4.45 2.65 0.26 5.44 3.00 -1.26 -0.66 116.66 130.54 1sbb n ARG 69 Ca -0.18 -4.53 0.13 0.00 -0.00 0.00 0.00 57.85 53.26 1sbb n ARG 69 Cb 0.57 -2.37 0.73 0.00 0.00 0.00 0.00 32.46 31.40 1sbb n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1sbb h PRO 70 N 5.41 0.00 -3.77 -0.14 0.13 -1.95 0.13 132.00 131.81 1sbb h PRO 70 Ca 0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.11 1sbb h PRO 70 Cb 0.74 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 1sbb h PRO 70 CO 0.88 0.11 -0.05 -1.54 -0.23 0.00 0.00 178.00 177.17 1sbb s SER 71 N -6.18 0.60 0.39 1.44 1.04 -1.25 -4.72 113.70 105.03 1sbb s SER 71 Ca -0.03 -1.36 0.10 0.00 0.48 0.00 0.00 55.95 55.14 1sbb s SER 71 Cb 0.13 0.72 0.79 0.00 0.10 0.00 0.00 66.02 67.76 1sbb s SER 71 CO 0.58 -1.41 1.92 -0.61 0.98 0.00 0.00 173.24 174.71 1sbb h GLN 72 N 2.08 0.23 0.00 4.02 5.75 -1.93 -3.12 115.11 122.14 1sbb h GLN 72 Ca -0.29 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1sbb h GLN 72 Cb 1.24 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1sbb h GLN 72 CO 0.39 0.37 -1.05 0.39 -2.65 0.00 0.00 178.83 176.28 1sbb n GLU 73 N -4.27 0.35 -4.97 1.69 4.71 -1.26 -4.70 120.64 112.19 1sbb n GLU 73 Ca -0.01 0.01 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 1sbb n GLU 73 Cb 0.27 -1.63 -0.14 0.00 -1.01 0.00 0.00 31.44 28.93 1sbb n GLU 73 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1sbb s GLN 74 N -3.24 2.78 -0.21 3.49 2.00 -1.18 -1.79 119.66 121.51 1sbb s GLN 74 Ca 0.03 -0.76 -0.04 0.00 -2.00 0.00 0.00 55.36 52.59 1sbb s GLN 74 Cb 0.14 -2.39 0.11 0.00 0.80 0.00 0.00 33.01 31.67 1sbb s GLN 74 CO 0.80 0.43 0.33 0.12 -0.50 0.00 0.00 175.29 176.47 1sbb s PHE 75 N -0.24 -0.64 0.09 1.67 5.36 -1.11 -3.53 117.98 119.57 1sbb s PHE 75 Ca 0.00 0.87 0.06 0.00 -0.96 0.00 0.00 56.93 56.91 1sbb s PHE 75 Cb -0.13 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 1sbb s PHE 75 CO 0.03 -0.59 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.02 1sbb s SER 76 N 2.49 4.62 -0.19 6.13 0.01 0.17 -2.53 113.70 124.40 1sbb s SER 76 Ca 0.07 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1sbb s SER 76 Cb -0.14 -0.97 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 1sbb s SER 76 CO -0.13 0.18 -0.02 -0.22 0.41 0.00 0.00 173.24 173.46 1sbb s LEU 77 N -2.19 3.15 -0.15 2.44 2.96 -0.04 -1.47 118.68 123.38 1sbb s LEU 77 Ca 0.23 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1sbb s LEU 77 Cb -0.11 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1sbb s LEU 77 CO 0.15 0.08 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.48 1sbb s ILE 78 N 0.90 2.70 -0.37 6.68 1.01 -0.35 -1.11 121.20 130.67 1sbb s ILE 78 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1sbb s ILE 78 Cb -0.14 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.28 1sbb s ILE 78 CO 0.01 0.51 0.12 -0.76 0.00 0.00 0.00 174.94 174.83 1sbb s LEU 79 N 0.77 4.83 0.13 2.97 1.02 0.76 -0.25 118.68 128.91 1sbb s LEU 79 Ca -0.06 -1.91 -0.04 0.00 0.02 0.00 0.00 54.13 52.15 1sbb s LEU 79 Cb -0.15 -1.75 -0.10 0.00 0.02 0.00 0.00 46.19 44.21 1sbb s LEU 79 CO 0.01 -0.44 1.30 -0.33 0.02 0.00 0.00 176.35 176.91 1sbb h GLU 80 N 7.92 0.39 -2.81 1.70 5.08 -1.82 0.46 114.58 125.49 1sbb h GLU 80 Ca -0.12 -0.42 -0.61 0.00 -1.00 0.00 0.00 59.36 57.20 1sbb h GLU 80 Cb 1.04 0.12 -0.41 0.00 0.50 0.00 0.00 28.75 30.01 1sbb h GLU 80 CO 0.61 1.10 -0.68 -0.11 -1.00 0.00 0.00 179.01 178.93 1sbb n LEU 81 N -3.73 2.21 -4.61 1.33 -0.00 -1.26 -3.76 117.00 107.18 1sbb n LEU 81 Ca -0.06 -5.03 -0.43 0.00 -0.00 0.00 0.00 56.01 50.49 1sbb n LEU 81 Cb 0.84 -0.41 -0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1sbb n LEU 81 CO 0.51 1.82 0.62 0.00 -0.00 0.00 0.00 177.39 180.33 1sbb n ALA 82 N 2.05 0.14 -2.82 1.96 0.00 0.86 -4.64 120.51 118.06 1sbb n ALA 82 Ca 0.23 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 1sbb n ALA 82 Cb 0.39 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 1sbb n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sbb s THR 83 N -1.15 0.12 0.43 0.00 -4.23 -1.26 0.07 115.64 109.63 1sbb s THR 83 Ca 0.60 -1.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1sbb s THR 83 Cb -0.63 -0.76 0.41 0.00 1.34 0.00 0.00 72.50 72.86 1sbb s THR 83 CO 0.59 -0.55 1.83 -0.65 -0.54 0.00 0.00 174.62 175.30 1sbb h PRO 84 N 3.84 0.32 -0.00 3.99 0.11 -1.96 0.35 132.00 138.65 1sbb h PRO 84 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1sbb h PRO 84 Cb 1.19 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sbb h PRO 84 CO 0.48 0.21 0.00 0.77 -0.21 0.00 0.00 178.00 179.25 1sbb h SER 85 N 0.33 0.00 -0.23 -2.05 0.02 -1.96 -0.25 113.55 109.41 1sbb h SER 85 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1sbb h SER 85 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1sbb h SER 85 CO -0.18 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.51 1sbb n GLN 86 N -4.00 1.56 -2.19 3.45 6.02 0.12 -4.81 117.38 117.53 1sbb n GLN 86 Ca -0.03 -0.86 -0.43 0.00 -0.01 0.00 0.00 57.00 55.67 1sbb n GLN 86 Cb 0.09 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1sbb n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sbb s THR 87 N -1.69 3.88 -0.05 5.09 2.01 -0.10 -4.79 115.64 119.98 1sbb s THR 87 Ca 0.18 1.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 1sbb s THR 87 Cb 0.09 -3.71 0.12 0.00 0.01 0.00 0.00 72.50 69.02 1sbb s THR 87 CO 0.13 -0.12 1.34 -0.55 -0.69 0.00 0.00 174.62 174.73 1sbb s SER 88 N 2.86 -0.02 -0.23 3.53 0.15 -0.02 -4.99 113.70 114.98 1sbb s SER 88 Ca 0.65 -0.10 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 1sbb s SER 88 Cb -0.28 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1sbb s SER 88 CO 0.23 -0.19 0.11 -0.69 1.20 0.00 0.00 173.24 173.91 1sbb s VAL 89 N -2.16 4.92 -0.07 4.45 1.01 -1.22 -0.81 120.40 126.52 1sbb s VAL 89 Ca 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1sbb s VAL 89 Cb 0.04 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1sbb s VAL 89 CO -0.04 0.37 0.06 -0.31 0.00 0.00 0.00 175.10 175.18 1sbb s TYR 90 N 1.04 3.31 -0.03 5.22 1.51 0.11 -0.25 117.35 128.27 1sbb s TYR 90 Ca 0.06 0.28 0.06 0.00 -1.01 0.00 0.00 57.07 56.46 1sbb s TYR 90 Cb -0.14 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1sbb s TYR 90 CO 0.04 0.56 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.76 1sbb s PHE 91 N -1.02 2.10 0.15 2.71 0.08 -0.33 0.10 117.98 121.76 1sbb s PHE 91 Ca 0.17 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1sbb s PHE 91 Cb -0.12 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1sbb s PHE 91 CO 0.06 -0.11 0.04 0.00 -0.10 0.00 0.00 175.22 175.12 1sbb s ALA 93 N -1.65 -0.25 0.14 0.00 0.00 -1.02 -0.13 121.76 118.84 1sbb s ALA 93 Ca 0.28 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1sbb s ALA 93 Cb -0.10 1.07 0.06 0.00 0.00 0.00 0.00 23.12 24.15 1sbb s ALA 93 CO 0.20 -0.86 0.55 -1.54 0.00 0.00 0.00 175.76 174.11 1sbb s SER 94 N -3.02 -0.49 0.00 0.00 1.04 -0.82 -1.20 113.70 109.21 1sbb s SER 94 Ca 0.22 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1sbb s SER 94 Cb -0.01 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1sbb s SER 94 CO 0.09 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1sbb n GLY 95 N -0.24 0.31 0.44 7.32 0.00 -0.30 -0.41 105.19 112.31 1sbb n GLY 95 Ca -0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 1sbb n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbb n GLY 96 N 0.00 -2.85 3.60 -0.02 0.00 -1.11 -3.85 105.19 100.97 1sbb n GLY 96 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1sbb n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sbb s GLY 97 N -2.58 1.62 0.16 -0.02 0.00 -1.26 -4.76 107.32 100.48 1sbb s GLY 97 Ca 0.09 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 1sbb s GLY 97 CO 0.07 0.79 1.44 -1.60 0.00 0.00 0.00 173.10 173.80 1sbb s ARG 98 N -4.60 4.29 0.00 2.90 3.52 -1.26 -1.36 118.95 122.44 1sbb s ARG 98 Ca 0.67 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1sbb s ARG 98 Cb -0.23 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1sbb s ARG 98 CO 0.61 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 1sbb n GLY 99 N 3.27 1.64 3.10 8.12 0.00 -1.26 -4.94 105.19 115.12 1sbb n GLY 99 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1sbb n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sbb n SER 100 N 0.00 5.34 0.28 1.61 2.88 -0.47 -4.89 113.62 118.37 1sbb n SER 100 Ca 0.00 -3.21 0.13 0.00 -1.33 0.00 0.00 58.87 54.46 1sbb n SER 100 Cb 0.00 -1.21 0.79 0.00 -0.75 0.00 0.00 64.21 63.05 1sbb n SER 100 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1sbb h TYR 101 N 5.90 0.00 0.00 0.66 0.05 -1.92 -2.48 116.97 119.18 1sbb h TYR 101 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1sbb h TYR 101 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1sbb h TYR 101 CO 0.82 0.07 0.00 0.00 -1.05 0.00 0.00 178.16 178.00 1sbb h ALA 102 N 1.93 1.00 0.00 3.88 0.00 -1.95 -2.71 119.26 121.41 1sbb h ALA 102 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1sbb h ALA 102 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1sbb h ALA 102 CO 0.01 0.00 -2.17 0.39 0.00 0.00 0.00 179.25 177.48 1sbb n GLU 105 N -2.71 0.67 -1.88 0.00 -0.58 -0.94 -5.00 120.64 110.20 1sbb n GLU 105 Ca 0.00 -0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.33 1sbb n GLU 105 Cb 0.22 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 1sbb n GLU 105 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sbb s GLN 106 N -3.01 3.35 -0.16 3.49 -0.21 -1.02 -2.74 119.66 119.35 1sbb s GLN 106 Ca -0.09 0.96 -0.01 0.00 0.02 0.00 0.00 55.36 56.24 1sbb s GLN 106 Cb 0.10 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 32.11 1sbb s GLN 106 CO 0.87 -0.77 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.19 1sbb s PHE 107 N -2.89 1.38 0.68 0.91 0.40 0.45 -4.92 117.98 113.99 1sbb s PHE 107 Ca 0.59 -0.92 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1sbb s PHE 107 Cb -0.13 -1.16 0.03 0.00 0.51 0.00 0.00 43.02 42.27 1sbb s PHE 107 CO 0.47 -0.58 1.02 -0.06 0.70 0.00 0.00 175.22 176.77 1sbb s PHE 108 N 1.74 3.15 0.42 0.36 0.40 -1.26 -1.93 117.98 120.85 1sbb s PHE 108 Ca 0.00 0.72 0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1sbb s PHE 108 Cb -0.16 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.31 1sbb s PHE 108 CO -0.07 -1.19 0.38 0.20 0.70 0.00 0.00 175.22 175.24 1sbb s GLY 109 N -4.41 2.14 0.63 4.36 0.00 0.81 -4.69 107.32 106.16 1sbb s GLY 109 Ca 0.58 -1.88 0.35 0.00 0.00 0.00 0.00 44.72 43.76 1sbb s GLY 109 CO 0.47 -1.70 2.20 -0.56 0.00 0.00 0.00 173.10 173.52 1sbb h PRO 110 N 1.02 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 130.73 1sbb h PRO 110 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1sbb h PRO 110 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1sbb h PRO 110 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 1sbb n GLY 111 N -1.25 1.37 2.99 1.56 0.00 -1.26 -5.04 105.19 103.56 1sbb n GLY 111 Ca -0.01 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1sbb n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbb s THR 112 N -2.38 1.28 -0.16 2.61 2.01 0.11 -4.76 115.64 114.36 1sbb s THR 112 Ca 0.00 -0.48 -0.23 0.00 0.31 0.00 0.00 61.69 61.29 1sbb s THR 112 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1sbb s THR 112 CO 0.00 0.40 0.71 -0.13 -0.69 0.00 0.00 174.62 174.91 1sbb s ARG 113 N 1.30 4.29 -0.06 4.92 0.52 0.26 0.09 118.95 130.27 1sbb s ARG 113 Ca -0.01 0.81 0.02 0.00 -0.52 0.00 0.00 55.73 56.02 1sbb s ARG 113 Cb -0.14 -3.55 0.01 0.00 0.52 0.00 0.00 34.95 31.80 1sbb s ARG 113 CO -0.05 -0.20 -0.11 -1.17 0.02 0.00 0.00 175.30 173.79 1sbb s LEU 114 N 1.73 1.61 -0.05 2.53 2.96 0.01 -0.09 118.68 127.38 1sbb s LEU 114 Ca 0.34 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1sbb s LEU 114 Cb -0.16 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.75 1sbb s LEU 114 CO 0.13 0.02 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.15 1sbb s THR 115 N 0.69 1.21 -0.27 3.68 2.01 -0.51 -0.84 115.64 121.60 1sbb s THR 115 Ca -0.14 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1sbb s THR 115 Cb -0.16 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.33 1sbb s THR 115 CO 0.03 0.36 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 1sbb s VAL 116 N 0.28 2.85 0.12 3.82 1.01 -1.26 -0.58 120.40 126.65 1sbb s VAL 116 Ca -0.07 -1.26 0.11 0.00 0.00 0.00 0.00 61.98 60.75 1sbb s VAL 116 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1sbb s VAL 116 CO 0.02 0.03 -0.25 -1.48 0.00 0.00 0.00 175.10 173.42 1sbb s LEU 250 N 1.27 2.37 0.00 3.92 0.05 0.19 -4.02 118.68 122.46 1sbb s LEU 250 Ca -0.03 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.44 1sbb s LEU 250 Cb -0.18 -1.28 0.00 0.00 -2.05 0.00 0.00 46.19 42.68 1sbb s LEU 250 CO -0.03 0.19 0.56 -1.84 -0.55 0.00 0.00 176.35 174.68 1sbb n GLU 117 N 0.96 0.90 -3.15 1.48 0.00 -1.26 -2.42 120.64 117.15 1sbb n GLU 117 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.04 1sbb n GLU 117 Cb 0.53 -1.34 -0.02 0.00 0.00 0.00 0.00 31.44 30.61 1sbb n GLU 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1sbb s ASP 118 N -0.34 -0.18 0.56 -1.84 -1.08 -1.26 -4.85 116.67 107.68 1sbb s ASP 118 Ca 0.00 0.11 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1sbb s ASP 118 Cb 0.00 1.15 1.60 0.00 -1.46 0.00 0.00 42.92 44.21 1sbb s ASP 118 CO 0.00 -0.03 2.21 -0.07 0.52 0.00 0.00 175.17 177.80 1sbb h LEU 119 N 8.00 0.00 0.00 -1.34 3.38 -1.93 -1.81 115.31 121.61 1sbb h LEU 119 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1sbb h LEU 119 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1sbb h LEU 119 CO -0.20 0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.88 1sbb n ARG 120 N -4.10 0.25 0.18 1.13 1.74 -1.26 -1.31 116.66 113.29 1sbb n ARG 120 Ca -0.03 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1sbb n ARG 120 Cb 0.09 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.15 1sbb n ARG 120 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1sbb h GLN 121 N 0.00 0.00 -6.25 5.56 4.20 -1.71 -3.45 115.11 113.45 1sbb h GLN 121 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1sbb h GLN 121 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1sbb h GLN 121 CO 0.00 0.00 1.21 0.08 -0.67 0.00 0.00 178.83 179.45 1sbb s VAL 122 N -3.26 3.35 -0.00 -0.54 1.01 -0.43 -4.74 120.40 115.79 1sbb s VAL 122 Ca 0.05 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1sbb s VAL 122 Cb 0.06 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1sbb s VAL 122 CO 0.71 -0.10 -0.10 0.42 0.00 0.00 0.00 175.10 176.03 1sbb s THR 123 N 5.16 0.75 0.84 3.92 -4.23 0.16 -4.85 115.64 117.40 1sbb s THR 123 Ca 0.82 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1sbb s THR 123 Cb -0.34 -0.63 0.10 0.00 1.34 0.00 0.00 72.50 72.96 1sbb s THR 123 CO 0.34 0.18 1.09 -2.16 -0.54 0.00 0.00 174.62 173.53 1sbb s PRO 124 N -0.30 1.71 0.61 3.99 0.04 -1.26 -1.24 135.00 138.56 1sbb s PRO 124 Ca 0.03 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 1sbb s PRO 124 Cb -0.04 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1sbb s PRO 124 CO -0.00 -1.95 0.96 -1.25 0.04 0.00 0.00 177.00 174.80 1sbb s PRO 125 N -4.96 3.10 -0.27 0.56 0.04 -1.26 -4.05 135.00 128.16 1sbb s PRO 125 Ca 0.62 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1sbb s PRO 125 Cb -0.17 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1sbb s PRO 125 CO 0.56 -0.71 -0.02 0.21 0.04 0.00 0.00 177.00 177.08 1sbb s LYS 126 N -5.10 2.71 -0.09 4.56 2.20 0.84 -4.89 119.74 119.96 1sbb s LYS 126 Ca 0.54 -1.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1sbb s LYS 126 Cb -0.11 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1sbb s LYS 126 CO 0.48 -0.49 -0.06 0.08 -0.36 0.00 0.00 175.35 175.01 1sbb s VAL 127 N 1.31 3.79 0.04 4.02 1.01 -1.26 -0.83 120.40 128.48 1sbb s VAL 127 Ca -0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1sbb s VAL 127 Cb -0.18 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1sbb s VAL 127 CO -0.03 0.57 0.12 -0.44 0.00 0.00 0.00 175.10 175.32 1sbb s SER 128 N -0.49 0.15 -0.11 3.32 0.01 -1.04 -4.80 113.70 110.74 1sbb s SER 128 Ca 0.07 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 1sbb s SER 128 Cb -0.12 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1sbb s SER 128 CO 0.02 -0.52 0.02 -0.76 0.41 0.00 0.00 173.24 172.41 1sbb s LEU 129 N -2.12 3.66 0.00 2.44 1.43 -1.26 -2.50 118.68 120.33 1sbb s LEU 129 Ca -0.05 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1sbb s LEU 129 Cb -0.01 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1sbb s LEU 129 CO -0.04 0.34 0.07 0.49 0.23 0.00 0.00 176.35 177.44 1sbb n PHE 130 N 2.39 -0.06 -3.63 0.29 3.72 0.10 -4.99 117.46 115.28 1sbb n PHE 130 Ca -0.18 -0.95 -0.02 0.00 -0.05 0.00 0.00 57.45 56.24 1sbb n PHE 130 Cb 0.53 0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1sbb n PHE 130 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1sbb s GLU 131 N -2.53 0.58 0.21 -1.08 2.56 -1.26 -2.60 118.70 114.58 1sbb s GLU 131 Ca 0.10 1.34 -0.03 0.00 0.00 0.00 0.00 54.97 56.38 1sbb s GLU 131 Cb 0.00 0.66 0.05 0.00 2.00 0.00 0.00 34.13 36.84 1sbb s GLU 131 CO 0.07 -0.18 0.29 -2.30 -0.56 0.00 0.00 175.26 172.58 1sbb n PRO 132 N 5.12 -0.09 -3.84 4.30 -0.02 -1.26 -5.04 135.00 134.17 1sbb n PRO 132 Ca -0.14 -0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 60.70 1sbb n PRO 132 Cb 0.52 -0.27 -0.09 0.00 -0.02 0.00 0.00 33.50 33.63 1sbb n PRO 132 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sbb s SER 133 N -2.08 -0.04 0.44 2.55 1.04 -1.26 -5.02 113.70 109.33 1sbb s SER 133 Ca 0.17 -0.12 0.20 0.00 0.48 0.00 0.00 55.95 56.67 1sbb s SER 133 Cb -0.01 0.24 1.03 0.00 0.10 0.00 0.00 66.02 67.38 1sbb s SER 133 CO 0.12 -0.39 1.93 0.07 0.98 0.00 0.00 173.24 175.94 1sbb h LYS 134 N 4.15 0.00 0.00 4.02 -0.00 -1.91 0.76 116.57 123.59 1sbb h LYS 134 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.34 1sbb h LYS 134 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1sbb h LYS 134 CO 0.40 0.25 -0.00 0.00 -0.00 0.00 0.00 179.45 180.10 1sbb h ALA 135 N 1.75 1.16 -0.04 0.07 0.00 -1.95 -1.51 119.26 118.74 1sbb h ALA 135 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sbb h ALA 135 Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sbb h ALA 135 CO 0.03 0.00 0.01 0.39 0.00 0.00 0.00 179.25 179.69 1sbb n GLU 136 N -3.32 1.20 -3.89 0.00 1.02 0.26 -4.88 120.64 111.03 1sbb n GLU 136 Ca -0.03 -0.19 0.03 0.00 -0.02 0.00 0.00 57.16 56.95 1sbb n GLU 136 Cb 0.08 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1sbb n GLU 136 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1sbb s ILE 137 N -0.89 0.00 -0.07 -3.67 -4.36 -0.57 -4.99 121.20 106.64 1sbb s ILE 137 Ca 0.03 -0.15 0.11 0.00 -0.26 0.00 0.00 60.65 60.38 1sbb s ILE 137 Cb 0.03 -2.71 0.16 0.00 1.25 0.00 0.00 42.46 41.19 1sbb s ILE 137 CO 0.01 0.00 1.06 0.00 0.24 0.00 0.00 174.94 176.25 1sbb n ALA 138 N -0.80 2.10 -1.59 2.27 0.00 -1.26 -4.96 120.51 116.26 1sbb n ALA 138 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1sbb n ALA 138 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1sbb n ALA 138 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sbb n ASN 139 N -0.96 0.00 0.00 0.00 4.13 -1.26 -5.14 115.26 112.02 1sbb n ASN 139 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1sbb n ASN 139 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1sbb n ASN 139 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1sbb n LYS 140 N 0.00 0.00 -0.06 3.52 0.00 -1.26 -5.08 118.16 115.28 1sbb n LYS 140 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1sbb n LYS 140 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1sbb n LYS 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sbb n GLN 141 N 0.00 0.29 0.00 1.64 0.00 -1.26 -4.77 117.38 113.29 1sbb n GLN 141 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.07 1sbb n GLN 141 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1sbb n GLN 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1sbb n LYS 142 N -2.87 0.00 -3.61 2.61 0.00 -1.26 -4.67 118.16 108.36 1sbb n LYS 142 Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.00 1sbb n LYS 142 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.69 1sbb n LYS 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sbb s ALA 143 N -0.41 -1.94 0.00 0.58 0.00 -1.26 -4.92 121.76 113.81 1sbb s ALA 143 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1sbb s ALA 143 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1sbb s ALA 143 CO 0.00 -0.27 0.00 2.41 0.00 0.00 0.00 175.76 177.90 1sbb n THR 144 N 1.70 0.00 -2.48 0.00 -1.04 -1.20 -4.63 114.28 106.65 1sbb n THR 144 Ca -0.12 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.51 1sbb n THR 144 Cb 0.56 -0.01 -0.04 0.00 -1.82 0.00 0.00 70.33 69.03 1sbb n THR 144 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sbb s LEU 145 N -0.08 4.21 -0.03 -4.42 1.02 -0.22 -4.00 118.68 115.16 1sbb s LEU 145 Ca 0.00 2.14 0.03 0.00 0.02 0.00 0.00 54.13 56.32 1sbb s LEU 145 Cb 0.00 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 42.15 1sbb s LEU 145 CO 0.00 -0.48 -0.09 -0.69 0.02 0.00 0.00 176.35 175.10 1sbb s VAL 146 N -1.52 0.80 0.03 -1.59 1.01 -1.07 -0.07 120.40 117.99 1sbb s VAL 146 Ca 0.56 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1sbb s VAL 146 Cb -0.25 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1sbb s VAL 146 CO 0.32 0.25 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 1sbb s LEU 148 N -1.06 0.09 -0.18 0.00 2.96 -1.04 -1.37 118.68 118.08 1sbb s LEU 148 Ca 0.10 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1sbb s LEU 148 Cb -0.09 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1sbb s LEU 148 CO 0.01 -0.26 0.05 0.00 -1.32 0.00 0.00 176.35 174.83 1sbb s ALA 149 N 2.21 3.33 0.24 5.97 0.00 0.59 -2.50 121.76 131.59 1sbb s ALA 149 Ca 0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1sbb s ALA 149 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1sbb s ALA 149 CO -0.05 0.14 0.42 -0.98 0.00 0.00 0.00 175.76 175.30 1sbb s ARG 150 N 0.44 1.50 -0.56 0.00 1.70 -0.01 -0.29 118.95 121.73 1sbb s ARG 150 Ca 0.02 -1.34 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 1sbb s ARG 150 Cb -0.13 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 1sbb s ARG 150 CO 0.01 -0.61 0.00 0.41 -1.08 0.00 0.00 175.30 174.03 1sbb n GLY 151 N -0.37 0.74 3.96 3.88 0.00 -0.65 -0.12 105.19 112.64 1sbb n GLY 151 Ca -0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1sbb n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sbb s PHE 152 N -1.98 3.46 -0.29 1.61 -0.71 -1.21 -4.65 117.98 114.21 1sbb s PHE 152 Ca 0.00 0.05 -0.16 0.00 -1.04 0.00 0.00 56.93 55.78 1sbb s PHE 152 Cb 0.00 -1.63 0.17 0.00 -1.21 0.00 0.00 43.02 40.34 1sbb s PHE 152 CO 0.00 0.38 1.07 0.12 -1.34 0.00 0.00 175.22 175.45 1sbb s PHE 153 N -2.05 -0.40 0.59 3.49 5.36 -0.37 -0.38 117.98 124.22 1sbb s PHE 153 Ca 0.35 0.81 -0.10 0.00 -0.96 0.00 0.00 56.93 57.03 1sbb s PHE 153 Cb -0.09 0.24 0.14 0.00 -0.34 0.00 0.00 43.02 42.98 1sbb s PHE 153 CO 0.30 -0.20 0.57 -2.30 -1.46 0.00 0.00 175.22 172.14 1sbb n PRO 154 N 3.47 -1.79 -1.25 10.12 -0.02 -1.26 -0.66 135.00 143.60 1sbb n PRO 154 Ca -0.18 -0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 60.17 1sbb n PRO 154 Cb 0.57 -0.79 -0.05 0.00 -0.02 0.00 0.00 33.50 33.21 1sbb n PRO 154 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sbb n ASP 155 N -3.84 6.30 -4.31 2.55 5.75 -1.26 -4.77 116.55 116.97 1sbb n ASP 155 Ca 0.08 -3.06 -0.44 0.00 -0.01 0.00 0.00 54.79 51.35 1sbb n ASP 155 Cb 0.29 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 1sbb n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1sbb n HIS 156 N 0.95 4.73 -4.14 2.11 8.25 -1.26 -4.98 115.22 120.88 1sbb n HIS 156 Ca 0.42 -3.54 -0.09 0.00 -0.26 0.00 0.00 57.72 54.25 1sbb n HIS 156 Cb 0.60 -1.83 -0.10 0.00 1.12 0.00 0.00 29.99 29.79 1sbb n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1sbb s VAL 157 N -0.46 0.52 -0.03 1.59 -7.23 -1.25 -1.23 120.40 112.30 1sbb s VAL 157 Ca 0.35 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1sbb s VAL 157 Cb -0.05 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.35 1sbb s VAL 157 CO -0.03 -0.89 0.01 -1.61 -0.31 0.00 0.00 175.10 172.26 1sbb s GLU 158 N -3.74 0.28 -0.01 4.82 2.02 -0.53 -4.94 118.70 116.61 1sbb s GLU 158 Ca 0.09 0.10 0.05 0.00 0.02 0.00 0.00 54.97 55.23 1sbb s GLU 158 Cb 0.05 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.75 1sbb s GLU 158 CO -0.06 -0.16 -0.15 -1.17 0.02 0.00 0.00 175.26 173.74 1sbb s LEU 159 N 1.15 2.71 0.15 1.80 0.20 -1.26 -0.17 118.68 123.25 1sbb s LEU 159 Ca -0.08 -0.29 -0.11 0.00 0.69 0.00 0.00 54.13 54.34 1sbb s LEU 159 Cb -0.13 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.06 1sbb s LEU 159 CO -0.02 0.30 0.32 -0.94 -0.29 0.00 0.00 176.35 175.72 1sbb s SER 160 N -1.07 -0.02 -0.09 3.68 1.04 -0.03 -4.98 113.70 112.23 1sbb s SER 160 Ca 0.13 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1sbb s SER 160 Cb -0.11 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1sbb s SER 160 CO 0.03 -0.89 -0.21 0.26 0.98 0.00 0.00 173.24 173.42 1sbb s TRP 161 N -3.92 2.60 -0.32 5.02 0.52 -1.26 -0.74 118.94 120.84 1sbb s TRP 161 Ca 0.13 -0.77 -0.00 0.00 0.02 0.00 0.00 56.10 55.47 1sbb s TRP 161 Cb 0.03 -1.70 0.10 0.00 -1.15 0.00 0.00 33.47 30.75 1sbb s TRP 161 CO -0.03 -0.25 0.10 -1.58 0.02 0.00 0.00 176.95 175.21 1sbb s TRP 162 N 0.10 1.79 -0.37 -1.98 0.52 -0.01 -0.30 118.94 118.69 1sbb s TRP 162 Ca -0.10 -1.81 -0.19 0.00 0.02 0.00 0.00 56.10 54.02 1sbb s TRP 162 Cb -0.16 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1sbb s TRP 162 CO 0.06 -0.88 0.57 0.14 0.02 0.00 0.00 176.95 176.86 1sbb s VAL 163 N 1.55 4.95 -0.77 4.03 -7.23 -0.17 -2.48 120.40 120.27 1sbb s VAL 163 Ca 0.10 0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 1sbb s VAL 163 Cb -0.18 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.73 1sbb s VAL 163 CO -0.24 -0.32 0.66 0.59 -0.31 0.00 0.00 175.10 175.49 1sbb n ASN 164 N 5.92 -3.37 0.00 4.85 3.02 0.88 -3.04 115.26 123.52 1sbb n ASN 164 Ca -0.03 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1sbb n ASN 164 Cb 0.49 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 1sbb n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sbb n GLY 165 N -1.25 0.37 3.12 7.41 0.00 -1.26 -5.00 105.19 108.58 1sbb n GLY 165 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1sbb n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbb s LYS 166 N -0.67 1.54 0.08 1.61 0.00 -1.17 -5.08 119.74 116.03 1sbb s LYS 166 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 55.97 55.10 1sbb s LYS 166 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 37.83 36.37 1sbb s LYS 166 CO 0.00 0.27 1.32 -2.00 0.00 0.00 0.00 175.35 174.94 1sbb s GLU 167 N -0.09 4.35 0.31 1.78 2.12 -1.26 -1.00 118.70 124.91 1sbb s GLU 167 Ca -0.00 1.95 0.09 0.00 0.36 0.00 0.00 54.97 57.36 1sbb s GLU 167 Cb -0.09 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1sbb s GLU 167 CO 0.01 -0.40 0.10 0.14 -0.54 0.00 0.00 175.26 174.57 1sbb s VAL 168 N 1.31 3.26 0.00 3.70 -7.23 0.59 -4.92 120.40 117.10 1sbb s VAL 168 Ca 0.62 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1sbb s VAL 168 Cb -0.33 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1sbb s VAL 168 CO 0.29 -0.26 0.00 1.41 -0.31 0.00 0.00 175.10 176.23 1sbb n HIS 169 N -1.07 0.00 -2.02 2.82 -0.00 -1.26 -4.49 115.22 109.21 1sbb n HIS 169 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.25 1sbb n HIS 169 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.57 1sbb n HIS 169 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1sbb s SER 170 N -0.90 6.28 0.00 0.41 0.01 -1.26 -2.02 113.70 116.22 1sbb s SER 170 Ca 0.00 1.73 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1sbb s SER 170 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1sbb s SER 170 CO 0.00 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1sbb n GLY 171 N 4.78 0.75 3.72 3.44 0.00 -1.26 -4.77 105.19 111.83 1sbb n GLY 171 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1sbb n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbb s VAL 172 N -2.57 4.89 -0.46 1.61 1.01 -0.86 -1.91 120.40 122.11 1sbb s VAL 172 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1sbb s VAL 172 Cb 0.00 -4.22 0.15 0.00 0.00 0.00 0.00 36.38 32.31 1sbb s VAL 172 CO 0.00 0.21 0.31 -0.55 0.00 0.00 0.00 175.10 175.07 1sbb s SER 173 N 0.82 3.00 0.31 3.32 0.15 0.55 -4.97 113.70 116.89 1sbb s SER 173 Ca 0.46 -2.90 -0.05 0.00 0.70 0.00 0.00 55.95 54.16 1sbb s SER 173 Cb -0.20 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.23 1sbb s SER 173 CO 0.25 -0.21 0.58 -0.89 1.20 0.00 0.00 173.24 174.17 1sbb s THR 174 N 0.08 5.01 0.27 6.45 2.01 -1.26 -1.16 115.64 127.03 1sbb s THR 174 Ca 0.24 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1sbb s THR 174 Cb -0.12 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 1sbb s THR 174 CO -0.09 -0.38 1.36 -1.81 -0.69 0.00 0.00 174.62 173.01 1sbb s ASP 175 N -3.27 6.76 0.48 3.53 1.11 -0.47 -4.91 116.67 119.90 1sbb s ASP 175 Ca 0.44 2.62 0.19 0.00 0.18 0.00 0.00 52.55 55.98 1sbb s ASP 175 Cb -0.11 -2.63 1.21 0.00 1.07 0.00 0.00 42.92 42.47 1sbb s ASP 175 CO 0.31 -0.59 1.99 1.55 1.18 0.00 0.00 175.17 179.61 1sbb h PRO 176 N 4.44 0.19 -1.52 8.23 0.13 -1.97 -3.44 132.00 138.06 1sbb h PRO 176 Ca -0.47 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1sbb h PRO 176 Cb 1.22 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 1sbb h PRO 176 CO 0.73 0.13 0.55 -1.14 -0.23 0.00 0.00 178.00 178.03 1sbb s GLN 177 N -5.20 0.50 0.54 0.86 0.74 -1.26 -5.16 119.66 110.68 1sbb s GLN 177 Ca -0.06 0.32 -0.22 0.00 0.05 0.00 0.00 55.36 55.45 1sbb s GLN 177 Cb 0.20 0.24 -0.06 0.00 1.10 0.00 0.00 33.01 34.49 1sbb s GLN 177 CO 0.74 -0.12 1.27 0.00 -0.55 0.00 0.00 175.29 176.63 1sbb n ALA 178 N 1.38 1.25 -2.59 1.58 0.00 -1.26 -4.99 120.51 115.88 1sbb n ALA 178 Ca -0.11 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1sbb n ALA 178 Cb 0.57 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 1sbb n ALA 178 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sbb s TYR 179 N -1.31 2.75 -0.23 0.00 2.02 -0.47 -4.90 117.35 115.20 1sbb s TYR 179 Ca 0.71 -0.15 -0.26 0.00 -0.37 0.00 0.00 57.07 56.99 1sbb s TYR 179 Cb -0.43 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1sbb s TYR 179 CO 0.50 0.44 0.92 0.15 -1.57 0.00 0.00 175.55 175.98 1sbb s LYS 180 N -2.27 4.22 0.00 -0.62 1.02 -1.26 -0.09 119.74 120.74 1sbb s LYS 180 Ca 0.22 1.12 0.24 0.00 0.02 0.00 0.00 55.97 57.57 1sbb s LYS 180 Cb -0.11 -3.64 0.38 0.00 -0.52 0.00 0.00 37.83 33.94 1sbb s LYS 180 CO 0.14 -0.56 1.33 -0.85 -0.92 0.00 0.00 175.35 174.49 1sbb n GLU 181 N 6.11 0.02 -2.85 1.68 0.28 0.09 -4.93 120.64 121.03 1sbb n GLU 181 Ca 0.08 -0.01 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 1sbb n GLU 181 Cb 0.47 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.86 1sbb n GLU 181 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1sbb n SER 182 N -1.48 -1.27 -0.37 -1.84 3.41 -1.17 -4.98 113.62 105.93 1sbb n SER 182 Ca 0.05 -1.79 0.01 0.00 -0.26 0.00 0.00 58.87 56.89 1sbb n SER 182 Cb 0.33 2.10 0.16 0.00 -0.26 0.00 0.00 64.21 66.54 1sbb n SER 182 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sbb h ASN 186 N 1.24 1.06 -1.35 4.04 7.08 -2.04 -3.21 115.58 122.40 1sbb h ASN 186 Ca -0.19 0.00 -0.46 0.00 -3.08 0.00 0.00 56.30 52.57 1sbb h ASN 186 Cb 0.77 -0.23 -0.41 0.00 -2.08 0.00 0.00 38.32 36.37 1sbb h ASN 186 CO 0.25 0.70 -1.01 -1.22 -2.08 0.00 0.00 177.43 174.06 1sbb n TYR 187 N -4.48 1.98 -3.66 4.14 4.01 -1.26 -5.06 117.16 112.83 1sbb n TYR 187 Ca 0.14 -3.08 -0.10 0.00 -0.16 0.00 0.00 57.90 54.71 1sbb n TYR 187 Cb 0.14 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 38.80 1sbb n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sbb s SER 189 N -3.21 -0.76 0.21 7.72 0.15 -1.21 -4.74 113.70 111.85 1sbb s SER 189 Ca 0.37 1.29 0.07 0.00 0.70 0.00 0.00 55.95 58.38 1sbb s SER 189 Cb 0.42 1.21 -0.04 0.00 -1.71 0.00 0.00 66.02 65.90 1sbb s SER 189 CO -0.06 -0.22 0.07 -0.31 1.20 0.00 0.00 173.24 173.92 1sbb s TYR 190 N 1.20 2.94 0.12 3.44 2.02 0.49 -0.73 117.35 126.82 1sbb s TYR 190 Ca -0.07 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1sbb s TYR 190 Cb -0.06 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 1sbb s TYR 190 CO -0.12 0.54 -0.13 0.00 -1.57 0.00 0.00 175.55 174.27 1sbb s LEU 192 N -2.48 -0.79 0.35 0.00 2.96 0.60 -1.37 118.68 117.96 1sbb s LEU 192 Ca 0.08 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 1sbb s LEU 192 Cb -0.04 2.04 -0.07 0.00 0.50 0.00 0.00 46.19 48.62 1sbb s LEU 192 CO 0.02 -0.18 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.87 1sbb s SER 193 N 1.96 3.66 0.06 3.68 1.04 -1.26 -0.30 113.70 122.54 1sbb s SER 193 Ca -0.07 -1.24 -0.20 0.00 0.48 0.00 0.00 55.95 54.92 1sbb s SER 193 Cb -0.06 -0.34 0.04 0.00 0.10 0.00 0.00 66.02 65.76 1sbb s SER 193 CO -0.18 -0.28 0.46 -0.55 0.98 0.00 0.00 173.24 173.67 1sbb s SER 194 N -3.62 -0.35 -0.01 7.02 0.15 -0.47 -1.36 113.70 115.06 1sbb s SER 194 Ca 0.33 0.03 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1sbb s SER 194 Cb 0.04 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1sbb s SER 194 CO 0.16 -0.71 -0.03 -0.13 1.20 0.00 0.00 173.24 173.73 1sbb s ARG 195 N -2.64 0.40 -0.29 5.44 0.52 -0.31 -1.05 118.95 121.01 1sbb s ARG 195 Ca -0.04 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1sbb s ARG 195 Cb -0.00 -0.43 0.08 0.00 0.52 0.00 0.00 34.95 35.11 1sbb s ARG 195 CO -0.03 0.02 -0.03 -1.17 0.02 0.00 0.00 175.30 174.10 1sbb s LEU 196 N 0.29 3.92 -0.34 2.53 2.96 0.90 -0.33 118.68 128.62 1sbb s LEU 196 Ca -0.03 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 51.94 1sbb s LEU 196 Cb -0.06 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1sbb s LEU 196 CO -0.00 -0.28 0.73 0.00 -1.32 0.00 0.00 176.35 175.48 1sbb s ARG 197 N 1.05 3.81 0.44 1.98 1.70 -0.80 -1.06 118.95 126.06 1sbb s ARG 197 Ca 0.00 0.32 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 1sbb s ARG 197 Cb -0.19 -3.78 -0.03 0.00 -0.57 0.00 0.00 34.95 30.37 1sbb s ARG 197 CO -0.07 -0.75 0.04 0.14 -1.08 0.00 0.00 175.30 173.58 1sbb s VAL 198 N 2.92 1.18 0.41 4.99 -7.23 -1.26 -4.64 120.40 116.77 1sbb s VAL 198 Ca 0.29 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 1sbb s VAL 198 Cb -0.14 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 1sbb s VAL 198 CO 0.15 0.00 1.00 -0.94 -0.31 0.00 0.00 175.10 175.00 1sbb s SER 199 N -3.73 6.80 0.24 4.85 1.04 -1.26 -4.88 113.70 116.77 1sbb s SER 199 Ca 0.20 1.89 -0.05 0.00 0.48 0.00 0.00 55.95 58.47 1sbb s SER 199 Cb 0.04 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.96 1sbb s SER 199 CO 0.10 -0.45 1.81 0.00 0.98 0.00 0.00 173.24 175.68 1sbb h ALA 200 N 2.25 1.13 -0.56 5.32 0.00 -2.00 0.12 119.26 125.52 1sbb h ALA 200 Ca -0.48 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1sbb h ALA 200 Cb 1.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1sbb h ALA 200 CO 0.62 0.11 0.04 1.15 0.00 0.00 0.00 179.25 181.16 1sbb h THR 201 N 0.79 1.25 0.37 0.00 2.02 -1.96 0.84 112.91 116.22 1sbb h THR 201 Ca 0.38 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1sbb h THR 201 Cb 0.31 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1sbb h THR 201 CO -0.23 0.37 -0.18 0.15 0.37 0.00 0.00 175.52 176.01 1sbb h PHE 202 N 0.86 -0.46 -0.47 3.16 3.57 -1.48 -0.56 116.94 121.55 1sbb h PHE 202 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1sbb h PHE 202 Cb 0.46 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1sbb h PHE 202 CO 0.03 -0.23 0.22 2.35 -2.23 0.00 0.00 178.31 178.44 1sbb h TRP 203 N -0.59 0.65 0.00 0.41 2.91 -0.93 -1.81 115.95 116.60 1sbb h TRP 203 Ca -0.05 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.95 1sbb h TRP 203 Cb 0.43 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1sbb h TRP 203 CO -0.03 0.49 0.00 0.72 -1.03 0.00 0.00 178.44 178.59 1sbb n HIS 204 N -4.38 0.00 -2.85 2.65 8.25 0.28 -0.48 115.22 118.68 1sbb n HIS 204 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 1sbb n HIS 204 Cb 0.13 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 1sbb n HIS 204 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sbb s ASN 205 N -2.62 6.31 0.00 0.41 3.84 -0.25 -4.13 114.94 118.51 1sbb s ASN 205 Ca 0.25 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 52.87 1sbb s ASN 205 Cb 0.19 -2.43 0.03 0.00 -0.55 0.00 0.00 41.25 38.49 1sbb s ASN 205 CO 0.44 -1.24 0.71 -0.81 -2.79 0.00 0.00 177.10 173.41 1sbb n PRO 206 N 7.45 0.01 0.08 0.43 -0.04 -1.21 -1.40 135.00 140.33 1sbb n PRO 206 Ca 0.01 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1sbb n PRO 206 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1sbb n PRO 206 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sbb n ARG 207 N -1.18 0.50 -2.91 0.54 3.00 -1.26 -4.24 116.66 111.10 1sbb n ARG 207 Ca 0.00 0.09 -0.38 0.00 -0.00 0.00 0.00 57.85 57.57 1sbb n ARG 207 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 1sbb n ARG 207 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1sbb s ASN 208 N -4.90 7.30 -0.10 6.15 0.01 -0.49 -4.93 114.94 117.99 1sbb s ASN 208 Ca 0.01 1.69 0.04 0.00 -0.71 0.00 0.00 52.86 53.89 1sbb s ASN 208 Cb 0.11 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.25 1sbb s ASN 208 CO 0.78 0.04 -0.23 -2.28 -1.51 0.00 0.00 177.10 173.90 1sbb s HIS 209 N -1.45 2.49 0.16 2.20 5.65 -1.26 -1.37 115.29 121.71 1sbb s HIS 209 Ca 0.44 -1.00 0.08 0.00 0.25 0.00 0.00 55.06 54.83 1sbb s HIS 209 Cb -0.20 -1.67 -0.04 0.00 -1.18 0.00 0.00 32.58 29.49 1sbb s HIS 209 CO 0.24 -0.40 -0.05 -0.06 -0.65 0.00 0.00 174.74 173.83 1sbb s PHE 210 N 0.32 2.77 -0.23 3.88 0.40 0.40 -0.08 117.98 125.44 1sbb s PHE 210 Ca -0.18 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 55.84 1sbb s PHE 210 Cb -0.18 -1.37 0.07 0.00 0.51 0.00 0.00 43.02 42.05 1sbb s PHE 210 CO 0.08 0.50 0.57 0.50 0.70 0.00 0.00 175.22 177.57 1sbb s ARG 211 N -2.73 0.61 -0.36 0.44 3.52 -1.04 -1.68 118.95 117.71 1sbb s ARG 211 Ca 0.25 0.96 -0.04 0.00 -0.13 0.00 0.00 55.73 56.78 1sbb s ARG 211 Cb -0.10 0.16 0.08 0.00 -1.56 0.00 0.00 34.95 33.53 1sbb s ARG 211 CO 0.17 -0.13 0.13 0.00 -0.81 0.00 0.00 175.30 174.66 1sbb s GLN 213 N 1.25 3.95 -0.17 0.00 -0.21 0.08 -2.03 119.66 122.52 1sbb s GLN 213 Ca 0.02 0.44 -0.04 0.00 0.02 0.00 0.00 55.36 55.80 1sbb s GLN 213 Cb -0.21 -3.01 0.06 0.00 1.00 0.00 0.00 33.01 30.84 1sbb s GLN 213 CO -0.01 0.54 0.06 0.08 -2.12 0.00 0.00 175.29 173.83 1sbb s VAL 214 N -1.37 0.22 -0.47 1.09 1.01 0.52 -0.85 120.40 120.56 1sbb s VAL 214 Ca 0.34 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1sbb s VAL 214 Cb -0.15 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1sbb s VAL 214 CO 0.18 -0.20 0.63 -1.10 0.00 0.00 0.00 175.10 174.61 1sbb s GLN 215 N 2.00 3.20 -0.17 2.72 -1.52 0.76 -0.76 119.66 125.89 1sbb s GLN 215 Ca 0.01 -0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 52.76 1sbb s GLN 215 Cb -0.16 -4.01 -0.04 0.00 -0.22 0.00 0.00 33.01 28.58 1sbb s GLN 215 CO -0.08 -1.09 0.05 0.12 -0.25 0.00 0.00 175.29 174.03 1sbb s PHE 216 N 2.74 3.22 -0.40 0.91 5.36 -0.20 -1.45 117.98 128.16 1sbb s PHE 216 Ca 0.19 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.17 1sbb s PHE 216 Cb -0.16 -2.04 0.10 0.00 -0.34 0.00 0.00 43.02 40.58 1sbb s PHE 216 CO 0.16 0.16 0.19 -1.01 -1.46 0.00 0.00 175.22 173.26 1sbb s HIS 217 N 0.25 3.53 0.00 10.12 3.76 -0.36 -4.21 115.29 128.37 1sbb s HIS 217 Ca 0.03 -2.28 0.00 0.00 -0.15 0.00 0.00 55.06 52.66 1sbb s HIS 217 Cb -0.13 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1sbb s HIS 217 CO 0.01 -0.95 0.00 0.41 -0.85 0.00 0.00 174.74 173.36 1sbb n GLY 218 N 4.63 2.07 3.78 -2.22 0.00 -1.26 -4.71 105.19 107.48 1sbb n GLY 218 Ca -0.04 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1sbb n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sbb s LEU 219 N 0.00 2.90 0.00 0.99 2.01 -1.20 -4.78 118.68 118.60 1sbb s LEU 219 Ca 0.00 1.66 0.03 0.00 0.01 0.00 0.00 54.13 55.83 1sbb s LEU 219 Cb 0.00 -4.36 -0.01 0.00 0.01 0.00 0.00 46.19 41.83 1sbb s LEU 219 CO 0.00 -1.95 0.10 -1.54 1.01 0.00 0.00 176.35 173.97 1sbb n SER 220 N -3.46 0.49 0.11 2.29 3.41 -1.26 -4.63 113.62 110.57 1sbb n SER 220 Ca 0.08 -2.07 0.05 0.00 -0.26 0.00 0.00 58.87 56.67 1sbb n SER 220 Cb 0.54 0.64 0.50 0.00 -0.26 0.00 0.00 64.21 65.63 1sbb n SER 220 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1sbb h GLU 221 N 0.00 0.31 0.00 4.33 9.09 -2.02 -1.30 114.58 124.99 1sbb h GLU 221 Ca -0.14 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.22 1sbb h GLU 221 Cb 0.59 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1sbb h GLU 221 CO 0.21 0.23 -0.14 1.05 0.05 0.00 0.00 179.01 180.41 1sbb h GLU 222 N 0.32 0.00 -6.65 1.06 -0.00 -2.02 -3.45 114.58 103.83 1sbb h GLU 222 Ca 0.08 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.94 1sbb h GLU 222 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1sbb h GLU 222 CO -0.01 0.14 0.39 -0.51 -0.00 0.00 0.00 179.01 179.02 1sbb s ASP 223 N -6.16 7.47 -0.63 3.06 1.11 -0.49 -4.99 116.67 116.04 1sbb s ASP 223 Ca 0.04 1.93 -0.24 0.00 0.18 0.00 0.00 52.55 54.46 1sbb s ASP 223 Cb 0.07 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.51 1sbb s ASP 223 CO 0.66 -0.04 1.02 -0.75 1.18 0.00 0.00 175.17 177.24 1sbb s LYS 224 N -0.50 3.23 -0.14 8.23 2.20 -1.26 -4.74 119.74 126.75 1sbb s LYS 224 Ca 0.46 -0.46 -0.21 0.00 -0.36 0.00 0.00 55.97 55.40 1sbb s LYS 224 Cb -0.26 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 1sbb s LYS 224 CO 0.32 -1.75 0.63 -0.46 -0.36 0.00 0.00 175.35 173.74 1sbb s TRP 225 N 4.37 3.46 -0.46 4.03 -0.11 -1.26 -4.99 118.94 123.97 1sbb s TRP 225 Ca 0.29 1.02 -0.26 0.00 1.22 0.00 0.00 56.10 58.37 1sbb s TRP 225 Cb -0.13 -2.76 -0.06 0.00 -1.50 0.00 0.00 33.47 29.01 1sbb s TRP 225 CO 0.15 -0.04 2.32 -2.14 -4.62 0.00 0.00 176.95 172.63 1sbb s PRO 226 N 1.37 2.29 0.23 5.86 0.02 -1.26 -4.88 135.00 138.63 1sbb s PRO 226 Ca 0.31 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 1sbb s PRO 226 Cb -0.16 -4.53 -0.15 0.00 0.02 0.00 0.00 34.50 29.67 1sbb s PRO 226 CO 0.13 -3.06 0.92 -1.91 -0.33 0.00 0.00 177.00 172.75 1sbb n GLU 227 N 8.99 0.92 0.00 5.54 2.13 -1.26 -4.00 120.64 132.96 1sbb n GLU 227 Ca 0.34 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1sbb n GLU 227 Cb 0.53 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1sbb n GLU 227 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sbb n GLY 228 N 1.61 1.78 3.73 8.31 0.00 -1.26 -5.09 105.19 114.27 1sbb n GLY 228 Ca 0.13 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1sbb n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sbb s SER 229 N -3.14 3.64 0.25 1.61 0.01 -1.26 -4.97 113.70 109.84 1sbb s SER 229 Ca 0.00 1.46 -0.30 0.00 1.31 0.00 0.00 55.95 58.42 1sbb s SER 229 Cb 0.00 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 1sbb s SER 229 CO 0.00 -2.53 1.23 -2.16 0.41 0.00 0.00 173.24 170.19 1sbb s PRO 230 N -4.97 4.47 -0.37 12.44 0.04 -1.26 -4.98 135.00 140.37 1sbb s PRO 230 Ca 0.63 1.99 -0.27 0.00 0.04 0.00 0.00 61.00 63.39 1sbb s PRO 230 Cb -0.17 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1sbb s PRO 230 CO 0.56 -0.07 0.97 0.21 0.04 0.00 0.00 177.00 178.71 1sbb s LYS 231 N -0.92 3.85 -0.58 4.56 2.36 -1.26 -4.94 119.74 122.81 1sbb s LYS 231 Ca 0.51 0.64 -0.28 0.00 -2.55 0.00 0.00 55.97 54.29 1sbb s LYS 231 Cb -0.35 -3.81 -0.29 0.00 -1.05 0.00 0.00 37.83 32.33 1sbb s LYS 231 CO 0.42 -0.99 1.84 -2.30 1.55 0.00 0.00 175.35 175.87 1sbb n PRO 232 N 6.91 0.05 -0.99 4.03 -0.02 -1.26 -4.66 135.00 139.06 1sbb n PRO 232 Ca 0.08 -1.34 -0.12 0.00 -2.02 0.00 0.00 63.50 60.10 1sbb n PRO 232 Cb 0.48 -3.22 0.20 0.00 -0.02 0.00 0.00 33.50 30.94 1sbb n PRO 232 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1sbb n VAL 233 N 8.03 2.85 -0.67 -1.45 3.14 -1.26 -3.23 118.33 125.74 1sbb n VAL 233 Ca 0.42 -2.27 -0.29 0.00 -2.96 0.00 0.00 64.34 59.24 1sbb n VAL 233 Cb 0.45 -0.38 0.25 0.00 -1.06 0.00 0.00 33.84 33.10 1sbb n VAL 233 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1sbb s THR 234 N -3.23 1.70 0.00 1.55 2.01 -1.26 -5.02 115.64 111.39 1sbb s THR 234 Ca 0.51 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1sbb s THR 234 Cb 0.44 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1sbb s THR 234 CO 0.06 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.99 1sbb n GLN 235 N -5.03 0.00 -3.55 4.92 6.02 -1.26 -4.64 117.38 113.84 1sbb n GLN 235 Ca 0.07 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 1sbb n GLN 235 Cb 0.57 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.73 1sbb n GLN 235 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1sbb s ASN 236 N 1.21 6.10 -0.06 1.08 3.84 -1.26 -1.04 114.94 124.82 1sbb s ASN 236 Ca 0.00 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1sbb s ASN 236 Cb 0.00 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 1sbb s ASN 236 CO 0.00 -0.06 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.58 1sbb s ILE 237 N 1.70 3.94 0.10 -5.21 1.01 0.06 -4.93 121.20 117.87 1sbb s ILE 237 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1sbb s ILE 237 Cb -0.16 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1sbb s ILE 237 CO 0.10 0.55 -0.11 -0.44 0.00 0.00 0.00 174.94 175.03 1sbb s SER 238 N -1.01 1.60 -0.18 3.58 0.01 -1.26 -0.35 113.70 116.09 1sbb s SER 238 Ca 0.14 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1sbb s SER 238 Cb -0.11 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.15 1sbb s SER 238 CO 0.04 -0.23 -0.03 0.00 0.41 0.00 0.00 173.24 173.42 1sbb s ALA 239 N -2.39 1.43 0.28 1.44 0.00 -0.86 -4.96 121.76 116.70 1sbb s ALA 239 Ca 0.07 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1sbb s ALA 239 Cb -0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1sbb s ALA 239 CO 0.01 -0.93 0.10 -1.21 0.00 0.00 0.00 175.76 173.72 1sbb s GLU 240 N 1.65 2.50 0.23 0.00 2.02 -1.26 -1.20 118.70 122.64 1sbb s GLU 240 Ca -0.01 -1.34 -0.22 0.00 0.02 0.00 0.00 54.97 53.42 1sbb s GLU 240 Cb -0.16 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.82 1sbb s GLU 240 CO -0.07 0.31 0.74 0.00 0.02 0.00 0.00 175.26 176.25 1sbb s ALA 241 N -2.29 -1.37 0.18 5.21 0.00 -0.68 -4.98 121.76 117.83 1sbb s ALA 241 Ca 0.34 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.30 1sbb s ALA 241 Cb -0.06 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1sbb s ALA 241 CO 0.22 -0.98 -0.12 -1.58 0.00 0.00 0.00 175.76 173.30 1sbb s TRP 242 N -3.77 1.51 0.31 0.00 0.52 -1.26 -0.45 118.94 115.81 1sbb s TRP 242 Ca 0.09 -0.67 -0.29 0.00 0.02 0.00 0.00 56.10 55.25 1sbb s TRP 242 Cb -0.04 -0.74 -0.11 0.00 -1.15 0.00 0.00 33.47 31.43 1sbb s TRP 242 CO 0.02 0.22 1.52 0.20 0.02 0.00 0.00 176.95 178.93 1sbb s GLY 243 N -3.25 2.44 0.16 0.98 0.00 -0.47 -4.95 107.32 102.22 1sbb s GLY 243 Ca 0.20 1.51 0.04 0.00 0.00 0.00 0.00 44.72 46.47 1sbb s GLY 243 CO 0.04 2.38 0.22 0.50 0.00 0.00 0.00 173.10 176.25 1sbb s ARG 244 N -1.01 3.19 0.99 2.90 0.52 0.37 -3.35 118.95 122.55 1sbb s ARG 244 Ca 0.59 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 1sbb s ARG 244 Cb -0.46 -2.81 -0.11 0.00 0.52 0.00 0.00 34.95 32.09 1sbb s ARG 244 CO 0.52 0.50 -0.62 0.00 0.02 0.00 0.00 175.30 175.72 1sbb n ALA 245 N -0.52 -4.94 0.00 2.13 0.00 -1.26 -3.62 120.51 112.29 1sbb n ALA 245 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1sbb n ALA 245 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1sbb n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25