#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 1.92 -0.01 0.00 1.01 -1.26 -1.46 120.40 120.60 1sbb s VAL 4 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1sbb s VAL 4 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1sbb s VAL 4 CO 0.00 0.45 -0.03 -0.89 0.00 0.00 0.00 175.10 174.63 1sbb s THR 5 N 1.33 3.94 -0.04 3.92 2.01 0.10 -4.40 115.64 122.50 1sbb s THR 5 Ca 0.04 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1sbb s THR 5 Cb -0.14 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1sbb s THR 5 CO -0.12 0.41 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.93 1sbb s GLN 6 N -1.41 1.89 -0.04 4.92 -0.21 -1.26 -1.19 119.66 122.36 1sbb s GLN 6 Ca 0.18 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 54.83 1sbb s GLN 6 Cb -0.11 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.23 1sbb s GLN 6 CO 0.08 0.35 0.03 -1.12 -2.12 0.00 0.00 175.29 172.51 1sbb s SER 7 N -0.21 0.98 0.86 5.90 0.01 -0.28 -4.17 113.70 116.79 1sbb s SER 7 Ca 0.01 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 1sbb s SER 7 Cb -0.11 -0.21 0.15 0.00 0.21 0.00 0.00 66.02 66.07 1sbb s SER 7 CO 0.01 -0.20 0.95 -0.81 0.41 0.00 0.00 173.24 173.61 1sbb n PRO 8 N 4.93 -0.58 0.05 12.44 -0.04 -1.26 0.18 135.00 150.72 1sbb n PRO 8 Ca -0.11 -1.88 0.06 0.00 -0.04 0.00 0.00 63.50 61.53 1sbb n PRO 8 Cb 0.50 -0.86 -0.07 0.00 -0.04 0.00 0.00 33.50 33.04 1sbb n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sbb n ARG 9 N -2.93 0.63 -3.82 0.54 5.12 -1.26 -4.76 116.66 110.18 1sbb n ARG 9 Ca 0.13 0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 56.03 1sbb n ARG 9 Cb 0.47 -1.75 -0.10 0.00 -1.16 0.00 0.00 32.46 29.91 1sbb n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1sbb s ASN 10 N -5.38 -0.11 -0.28 0.55 0.01 -1.26 -1.34 114.94 107.13 1sbb s ASN 10 Ca -0.03 0.08 -0.17 0.00 -0.71 0.00 0.00 52.86 52.03 1sbb s ASN 10 Cb 0.10 0.31 0.10 0.00 0.41 0.00 0.00 41.25 42.17 1sbb s ASN 10 CO 0.82 -0.28 0.77 -0.75 -1.51 0.00 0.00 177.10 176.15 1sbb s LYS 11 N -0.85 0.63 -0.15 -0.60 2.47 0.66 -4.93 119.74 116.98 1sbb s LYS 11 Ca -0.09 1.05 0.02 0.00 -1.56 0.00 0.00 55.97 55.39 1sbb s LYS 11 Cb -0.05 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.48 1sbb s LYS 11 CO 0.02 -0.13 -0.21 0.54 0.16 0.00 0.00 175.35 175.73 1sbb s VAL 12 N 1.42 2.02 0.27 4.02 0.11 -1.26 -0.31 120.40 126.68 1sbb s VAL 12 Ca -0.09 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1sbb s VAL 12 Cb -0.05 -1.80 -0.06 0.00 -1.53 0.00 0.00 36.38 32.95 1sbb s VAL 12 CO -0.17 0.54 0.01 0.00 -3.33 0.00 0.00 175.10 172.15 1sbb s ALA 13 N 0.94 2.09 0.22 1.54 0.00 0.45 -4.96 121.76 122.03 1sbb s ALA 13 Ca -0.04 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.04 1sbb s ALA 13 Cb -0.15 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1sbb s ALA 13 CO -0.05 -0.24 0.38 0.08 0.00 0.00 0.00 175.76 175.93 1sbb s VAL 14 N -3.32 5.24 0.42 0.00 1.01 -1.24 0.57 120.40 123.08 1sbb s VAL 14 Ca 0.32 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1sbb s VAL 14 Cb 0.06 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1sbb s VAL 14 CO 0.12 -0.24 1.42 -0.89 0.00 0.00 0.00 175.10 175.51 1sbb s THR 15 N -1.92 2.16 0.00 3.92 2.01 -0.88 -2.36 115.64 118.57 1sbb s THR 15 Ca 0.37 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1sbb s THR 15 Cb -0.10 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1sbb s THR 15 CO 0.30 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1sbb n GLY 16 N 0.56 2.63 3.88 4.40 0.00 0.20 -4.89 105.19 111.97 1sbb n GLY 16 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.80 1.64 -0.20 -0.02 0.00 -1.00 -4.32 107.32 101.62 1sbb s GLY 17 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 1sbb s GLY 17 CO 0.00 0.08 0.17 1.25 0.00 0.00 0.00 173.10 174.61 1sbb s LYS 18 N -5.27 4.18 -0.03 2.90 2.20 -1.24 -0.37 119.74 122.11 1sbb s LYS 18 Ca 0.57 -0.16 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 1sbb s LYS 18 Cb -0.11 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1sbb s LYS 18 CO 0.53 0.24 -0.22 0.08 -0.36 0.00 0.00 175.35 175.61 1sbb s VAL 19 N 0.53 1.77 -0.09 4.02 1.01 0.26 -4.96 120.40 122.94 1sbb s VAL 19 Ca 0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1sbb s VAL 19 Cb -0.12 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1sbb s VAL 19 CO 0.00 0.50 -0.05 -0.89 0.00 0.00 0.00 175.10 174.67 1sbb s THR 20 N -0.42 0.75 -0.21 3.92 2.01 -1.26 0.08 115.64 120.51 1sbb s THR 20 Ca 0.06 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 1sbb s THR 20 Cb -0.10 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1sbb s THR 20 CO 0.00 0.32 0.04 -0.76 -0.69 0.00 0.00 174.62 173.53 1sbb s LEU 21 N 1.71 3.51 0.13 4.42 1.43 -0.07 -4.60 118.68 125.21 1sbb s LEU 21 Ca 0.03 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1sbb s LEU 21 Cb -0.13 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1sbb s LEU 21 CO -0.06 0.07 0.22 -0.44 0.23 0.00 0.00 176.35 176.37 1sbb s SER 22 N 0.96 6.11 -0.03 2.29 0.01 0.13 -0.43 113.70 122.74 1sbb s SER 22 Ca 0.03 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.40 1sbb s SER 22 Cb -0.14 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.33 1sbb s SER 22 CO 0.03 0.09 0.04 0.00 0.41 0.00 0.00 173.24 173.81 1sbb s GLN 24 N 1.15 2.68 0.18 0.00 -1.52 -0.33 -2.34 119.66 119.48 1sbb s GLN 24 Ca -0.08 -0.86 0.10 0.00 -1.95 0.00 0.00 55.36 52.58 1sbb s GLN 24 Cb -0.13 -2.15 -0.04 0.00 -0.22 0.00 0.00 33.01 30.47 1sbb s GLN 24 CO -0.03 0.27 -0.22 1.14 -0.25 0.00 0.00 175.29 176.20 1sbb s GLN 25 N 0.10 1.42 -0.06 2.91 -2.07 -0.62 0.00 119.66 121.34 1sbb s GLN 25 Ca -0.11 -1.47 0.09 0.00 -1.82 0.00 0.00 55.36 52.05 1sbb s GLN 25 Cb -0.16 -1.68 0.13 0.00 -1.09 0.00 0.00 33.01 30.22 1sbb s GLN 25 CO 0.06 0.36 1.02 0.25 -1.32 0.00 0.00 175.29 175.66 1sbb n THR 26 N 0.34 1.17 0.92 3.63 -2.24 -0.53 -4.69 114.28 112.87 1sbb n THR 26 Ca -0.13 -1.35 0.12 0.00 -2.27 0.00 0.00 64.05 60.42 1sbb n THR 26 Cb 0.56 0.21 0.19 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.81 0.57 -2.68 3.42 3.02 -1.26 -4.57 115.26 112.94 1sbb n ASN 27 Ca 0.07 -0.26 -0.20 0.00 -0.03 0.00 0.00 54.58 54.16 1sbb n ASN 27 Cb 0.52 0.35 0.03 0.00 -0.61 0.00 0.00 39.78 40.06 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 -1.60 -5.73 -4.80 6.41 5.15 -1.26 -4.96 115.26 108.46 1sbb n ASN 28 Ca 0.05 -0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.42 1sbb n ASN 28 Cb 0.35 -4.59 -0.06 0.00 -0.53 0.00 0.00 39.78 34.96 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 -3.10 3.78 -0.01 1.20 3.76 -1.26 -5.00 115.29 114.65 1sbb s HIS 29 Ca 0.23 1.46 -0.25 0.00 -0.15 0.00 0.00 55.06 56.36 1sbb s HIS 29 Cb -0.10 -2.65 -0.19 0.00 1.11 0.00 0.00 32.58 30.74 1sbb s HIS 29 CO 0.29 0.45 1.26 -0.91 -0.85 0.00 0.00 174.74 174.98 1sbb h ASN 30 N 3.97 0.10 -3.59 1.40 2.35 -1.87 -3.45 115.58 114.48 1sbb h ASN 30 Ca -0.48 -0.52 -0.51 0.00 -0.55 0.00 0.00 56.30 54.24 1sbb h ASN 30 Cb 1.20 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 1sbb h ASN 30 CO 0.65 0.59 0.06 0.20 -1.65 0.00 0.00 177.43 177.29 1sbb s ASN 31 N -5.84 6.88 -0.02 5.81 -0.87 -1.25 -3.18 114.94 116.47 1sbb s ASN 31 Ca -0.16 1.28 -0.05 0.00 -1.57 0.00 0.00 52.86 52.36 1sbb s ASN 31 Cb 0.02 -2.37 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1sbb s ASN 31 CO 0.70 -0.06 0.11 -0.04 -2.57 0.00 0.00 177.10 175.23 1sbb s MET 32 N -2.45 0.29 0.12 -0.60 -1.94 -1.08 -2.08 119.30 111.56 1sbb s MET 32 Ca 0.47 -0.16 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 1sbb s MET 32 Cb -0.13 0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.79 1sbb s MET 32 CO 0.19 -0.06 -0.10 0.71 -0.01 0.00 0.00 175.02 175.76 1sbb s TYR 33 N -0.70 1.13 -0.16 -0.03 1.51 -0.22 -0.76 117.35 118.13 1sbb s TYR 33 Ca -0.08 -0.73 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1sbb s TYR 33 Cb -0.05 -0.60 0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1sbb s TYR 33 CO 0.01 0.02 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.86 1sbb s TRP 34 N -2.96 1.34 0.45 2.71 0.52 -0.81 -2.56 118.94 117.61 1sbb s TRP 34 Ca 0.11 -0.87 0.05 0.00 0.02 0.00 0.00 56.10 55.41 1sbb s TRP 34 Cb 0.00 -1.14 -0.05 0.00 -1.15 0.00 0.00 33.47 31.13 1sbb s TRP 34 CO -0.00 -0.57 0.06 0.71 0.02 0.00 0.00 176.95 177.17 1sbb s TYR 35 N 1.75 2.30 -0.08 -1.98 2.02 0.23 -0.58 117.35 121.03 1sbb s TYR 35 Ca 0.01 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 1sbb s TYR 35 Cb -0.15 -1.77 0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1sbb s TYR 35 CO -0.07 0.29 0.17 -0.98 -1.57 0.00 0.00 175.55 173.38 1sbb s ARG 36 N -3.83 0.09 -0.19 -0.62 1.70 -0.69 -1.46 118.95 113.96 1sbb s ARG 36 Ca 0.28 0.47 -0.09 0.00 -0.47 0.00 0.00 55.73 55.92 1sbb s ARG 36 Cb 0.06 -0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.20 1sbb s ARG 36 CO 0.15 -0.22 0.12 -1.14 -1.08 0.00 0.00 175.30 173.13 1sbb s GLN 37 N 1.62 4.06 -0.03 3.89 2.00 -0.11 -1.67 119.66 129.42 1sbb s GLN 37 Ca -0.05 -0.22 0.01 0.00 -2.00 0.00 0.00 55.36 53.10 1sbb s GLN 37 Cb -0.12 -3.36 0.02 0.00 0.80 0.00 0.00 33.01 30.35 1sbb s GLN 37 CO -0.06 0.37 -0.03 -0.51 -0.50 0.00 0.00 175.29 174.56 1sbb s ASP 38 N 0.16 0.68 -0.31 6.67 1.01 -1.08 -3.33 116.67 120.47 1sbb s ASP 38 Ca 0.09 -0.08 -0.28 0.00 0.71 0.00 0.00 52.55 52.99 1sbb s ASP 38 Cb -0.11 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 43.45 1sbb s ASP 38 CO -0.01 -0.06 2.17 -0.89 0.21 0.00 0.00 175.17 176.59 1sbb s THR 39 N 0.84 3.11 0.00 -1.27 2.01 -1.26 -1.52 115.64 117.54 1sbb s THR 39 Ca -0.10 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1sbb s THR 39 Cb -0.13 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1sbb s THR 39 CO -0.01 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1sbb n GLY 40 N 5.76 2.98 3.98 4.40 0.00 -1.26 -5.05 105.19 115.99 1sbb n GLY 40 Ca 0.30 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 1.30 0.00 1.61 4.02 -0.58 -5.10 115.29 116.54 1sbb s HIS 41 Ca 0.00 -0.20 0.00 0.00 1.02 0.00 0.00 55.06 55.88 1sbb s HIS 41 Cb 0.00 -3.34 0.00 0.00 -1.02 0.00 0.00 32.58 28.22 1sbb s HIS 41 CO 0.00 -2.12 0.00 0.41 1.02 0.00 0.00 174.74 174.05 1sbb n GLY 42 N -3.16 0.71 3.37 -2.22 0.00 -1.26 -4.31 105.19 98.33 1sbb n GLY 42 Ca 0.17 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 4.10 -0.10 0.99 2.96 -1.26 -2.64 118.68 122.72 1sbb s LEU 43 Ca 0.00 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1sbb s LEU 43 Cb 0.00 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1sbb s LEU 43 CO 0.00 -0.23 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.57 1sbb s ARG 44 N 1.54 3.12 -0.03 1.98 0.52 -0.67 -4.94 118.95 120.46 1sbb s ARG 44 Ca 0.03 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 1sbb s ARG 44 Cb -0.18 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1sbb s ARG 44 CO 0.04 0.41 1.11 -1.17 0.02 0.00 0.00 175.30 175.72 1sbb s LEU 45 N -0.15 4.31 -0.17 2.53 2.96 -1.26 -1.70 118.68 125.20 1sbb s LEU 45 Ca 0.01 1.76 -0.13 0.00 -0.22 0.00 0.00 54.13 55.54 1sbb s LEU 45 Cb -0.13 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1sbb s LEU 45 CO 0.03 -0.47 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.05 1sbb n ILE 46 N 4.33 1.46 -3.73 6.68 5.41 0.26 -0.11 119.36 133.66 1sbb n ILE 46 Ca 0.09 0.12 -0.14 0.00 1.00 0.00 0.00 62.75 63.82 1sbb n ILE 46 Cb 0.48 -2.29 -0.08 0.00 -0.71 0.00 0.00 39.64 37.04 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 -2.43 -0.24 0.29 1.39 3.76 -1.22 -1.47 115.29 115.37 1sbb s HIS 47 Ca -0.22 0.36 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1sbb s HIS 47 Cb 0.04 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.83 1sbb s HIS 47 CO 0.35 -0.43 0.19 1.52 -0.85 0.00 0.00 174.74 175.51 1sbb s TYR 48 N -1.41 1.54 0.00 1.40 1.13 0.15 -1.93 117.35 118.23 1sbb s TYR 48 Ca -0.13 -1.46 -0.02 0.00 -1.41 0.00 0.00 57.07 54.05 1sbb s TYR 48 Cb -0.04 -0.75 -0.01 0.00 -1.10 0.00 0.00 41.96 40.06 1sbb s TYR 48 CO 0.04 -0.65 0.04 0.45 -2.51 0.00 0.00 175.55 172.92 1sbb s SER 49 N -3.33 0.08 0.02 -0.18 0.15 0.06 -0.09 113.70 110.42 1sbb s SER 49 Ca 0.38 -0.21 0.22 0.00 0.70 0.00 0.00 55.95 57.04 1sbb s SER 49 Cb 0.05 0.12 -0.23 0.00 -1.71 0.00 0.00 66.02 64.25 1sbb s SER 49 CO 0.19 -0.21 0.68 -1.22 1.20 0.00 0.00 173.24 173.89 1sbb n TYR 50 N 2.12 0.17 0.00 3.44 4.01 -1.26 -2.64 117.16 123.00 1sbb n TYR 50 Ca -0.19 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1sbb n TYR 50 Cb 0.57 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.30 -0.44 3.66 2.72 0.00 -1.19 -4.33 105.19 106.91 1sbb n GLY 51 Ca -0.02 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.47 0.83 -0.66 4.61 0.00 -1.26 -1.42 120.51 122.14 1sbb n ALA 52 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1sbb n ALA 52 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 1.71 1.26 3.66 0.00 0.00 -0.04 -5.02 105.19 106.76 1sbb n GLY 53 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.14 5.23 -0.28 1.61 0.15 -0.51 -4.97 113.70 111.78 1sbb s SER 54 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1sbb s SER 54 Cb 0.00 -1.55 0.15 0.00 -1.71 0.00 0.00 66.02 62.90 1sbb s SER 54 CO 0.00 0.34 0.37 0.42 1.20 0.00 0.00 173.24 175.57 1sbb s THR 55 N -0.64 -0.56 0.22 6.45 -4.23 -1.26 -4.41 115.64 111.21 1sbb s THR 55 Ca 0.10 -0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.36 1sbb s THR 55 Cb -0.12 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1sbb s THR 55 CO 0.02 -0.30 0.29 -1.61 -0.54 0.00 0.00 174.62 172.48 1sbb s GLU 56 N 2.49 3.28 -0.00 3.99 0.41 0.88 -4.94 118.70 124.80 1sbb s GLU 56 Ca 0.10 -0.81 -0.06 0.00 -0.41 0.00 0.00 54.97 53.79 1sbb s GLU 56 Cb -0.13 -2.81 -0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1sbb s GLU 56 CO -0.28 0.45 0.25 -1.59 -0.49 0.00 0.00 175.26 173.60 1sbb s LYS 57 N -3.73 3.56 0.00 1.61 -2.85 -1.26 -0.67 119.74 116.40 1sbb s LYS 57 Ca 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 1sbb s LYS 57 Cb -0.09 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 1sbb s LYS 57 CO 0.27 0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.80 1sbb n GLY 58 N 1.17 1.86 0.06 0.59 0.00 -0.54 -4.80 105.19 103.53 1sbb n GLY 58 Ca -0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.05 -2.22 1.61 3.32 -0.75 -3.37 116.42 114.96 1sbb h ASP 59 Ca 0.00 -0.12 -0.60 0.00 0.02 0.00 0.00 57.03 56.33 1sbb h ASP 59 Cb 0.00 0.01 -0.42 0.00 0.22 0.00 0.00 39.33 39.14 1sbb h ASP 59 CO 0.00 0.09 -0.64 2.30 -1.72 0.00 0.00 179.24 179.27 1sbb n ILE 60 N -5.05 2.06 0.17 0.35 -5.35 -0.43 -4.92 119.36 106.19 1sbb n ILE 60 Ca -0.08 -5.10 0.04 0.00 -0.27 0.00 0.00 62.75 57.35 1sbb n ILE 60 Cb 0.11 -2.09 0.23 0.00 -1.74 0.00 0.00 39.64 36.14 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 4.22 0.00 -6.16 6.28 0.13 -1.73 -3.42 132.00 131.31 1sbb h PRO 61 Ca 0.19 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.62 1sbb h PRO 61 Cb 0.68 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.83 1sbb h PRO 61 CO 0.80 0.44 1.02 -0.25 -0.23 0.00 0.00 178.00 179.78 1sbb n ASP 62 N -3.43 2.65 0.00 1.44 9.92 -1.26 -1.42 116.55 124.44 1sbb n ASP 62 Ca 0.00 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1sbb n ASP 62 Cb 0.59 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 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 4.54 0.61 3.13 0.44 0.00 -1.26 -5.08 105.19 107.58 1sbb n GLY 63 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.34 0.91 0.33 1.61 2.02 -0.51 -4.63 117.35 114.74 1sbb s TYR 65 Ca 0.00 -0.60 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1sbb s TYR 65 Cb 0.00 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.98 1sbb s TYR 65 CO 0.00 -0.04 0.06 0.15 -1.57 0.00 0.00 175.55 174.14 1sbb s LYS 66 N -2.31 1.68 0.29 -0.62 1.02 -0.05 -4.97 119.74 114.78 1sbb s LYS 66 Ca -0.01 -1.93 -0.15 0.00 0.02 0.00 0.00 55.97 53.90 1sbb s LYS 66 Cb -0.06 -0.91 0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1sbb s LYS 66 CO -0.00 -0.19 0.62 0.00 -0.92 0.00 0.00 175.35 174.86 1sbb s ALA 67 N -3.26 -0.58 -0.29 5.17 0.00 -1.26 -0.39 121.76 121.16 1sbb s ALA 67 Ca 0.36 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1sbb s ALA 67 Cb 0.09 0.93 0.11 0.00 0.00 0.00 0.00 23.12 24.25 1sbb s ALA 67 CO 0.16 -0.94 0.78 0.45 0.00 0.00 0.00 175.76 176.21 1sbb s SER 68 N -3.01 -0.82 -0.80 0.00 0.15 -0.84 -4.97 113.70 103.42 1sbb s SER 68 Ca 0.18 1.28 0.02 0.00 0.70 0.00 0.00 55.95 58.13 1sbb s SER 68 Cb -0.03 1.43 0.23 0.00 -1.71 0.00 0.00 66.02 65.93 1sbb s SER 68 CO 0.10 -0.20 0.80 -1.14 1.20 0.00 0.00 173.24 174.00 1sbb n ARG 69 N 4.26 2.67 0.31 5.44 3.00 -1.26 -0.92 116.66 130.16 1sbb n ARG 69 Ca -0.18 -4.56 0.20 0.00 -0.00 0.00 0.00 57.85 53.31 1sbb n ARG 69 Cb 0.57 -2.35 1.00 0.00 0.00 0.00 0.00 32.46 31.68 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 5.20 0.00 0.00 -0.14 0.13 -1.95 -0.07 132.00 135.17 1sbb h PRO 70 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1sbb h PRO 70 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1sbb h PRO 70 CO 0.88 0.01 0.07 -1.13 -0.23 0.00 0.00 178.00 177.60 1sbb n SER 71 N -3.13 -1.29 0.08 1.44 3.41 -1.25 -4.78 113.62 108.11 1sbb n SER 71 Ca -0.02 -2.15 -0.04 0.00 -0.26 0.00 0.00 58.87 56.40 1sbb n SER 71 Cb 0.17 2.22 0.18 0.00 -0.26 0.00 0.00 64.21 66.51 1sbb n SER 71 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1sbb h GLN 72 N 0.00 0.28 -0.00 4.33 5.75 -1.93 -3.25 115.11 120.28 1sbb h GLN 72 Ca -0.21 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1sbb h GLN 72 Cb 0.82 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1sbb h GLN 72 CO 0.27 0.69 -0.59 0.39 -2.65 0.00 0.00 178.83 176.94 1sbb n GLU 73 N -3.98 0.38 -4.96 1.69 4.71 -1.26 -4.75 120.64 112.48 1sbb n GLU 73 Ca -0.02 -0.28 -0.28 0.00 -0.01 0.00 0.00 57.16 56.58 1sbb n GLU 73 Cb 0.52 -1.49 -0.16 0.00 -1.01 0.00 0.00 31.44 29.30 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 -2.80 2.12 -0.21 3.49 2.00 -1.23 -1.59 119.66 121.44 1sbb s GLN 74 Ca 0.14 -0.69 -0.04 0.00 -2.00 0.00 0.00 55.36 52.77 1sbb s GLN 74 Cb 0.18 -1.78 0.09 0.00 0.80 0.00 0.00 33.01 32.30 1sbb s GLN 74 CO 0.69 0.24 0.18 0.12 -0.50 0.00 0.00 175.29 176.02 1sbb s PHE 75 N 0.10 -0.10 0.05 1.67 5.36 -0.99 -3.52 117.98 120.55 1sbb s PHE 75 Ca -0.07 -0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1sbb s PHE 75 Cb -0.13 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 41.99 1sbb s PHE 75 CO 0.04 -0.63 0.20 -1.12 -1.46 0.00 0.00 175.22 172.24 1sbb s SER 76 N 2.26 6.30 -0.11 6.13 0.01 -0.10 -2.73 113.70 125.45 1sbb s SER 76 Ca 0.06 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.59 1sbb s SER 76 Cb -0.16 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 1sbb s SER 76 CO -0.16 0.19 -0.13 -0.22 0.41 0.00 0.00 173.24 173.33 1sbb s LEU 77 N -2.41 2.76 -0.07 2.44 2.96 0.43 -1.98 118.68 122.82 1sbb s LEU 77 Ca 0.33 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1sbb s LEU 77 Cb -0.13 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1sbb s LEU 77 CO 0.26 0.22 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.71 1sbb s ILE 78 N 0.04 1.43 -0.30 6.68 1.01 0.48 -0.90 121.20 129.64 1sbb s ILE 78 Ca -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1sbb s ILE 78 Cb -0.14 -1.27 0.08 0.00 0.01 0.00 0.00 42.46 41.14 1sbb s ILE 78 CO 0.04 0.42 -0.02 -0.76 0.00 0.00 0.00 174.94 174.62 1sbb s LEU 79 N 0.45 4.17 0.07 2.97 1.02 0.11 -0.87 118.68 126.60 1sbb s LEU 79 Ca -0.14 -1.79 -0.00 0.00 0.02 0.00 0.00 54.13 52.22 1sbb s LEU 79 Cb -0.16 -1.60 -0.26 0.00 0.02 0.00 0.00 46.19 44.19 1sbb s LEU 79 CO 0.05 -0.30 1.12 -0.33 0.02 0.00 0.00 176.35 176.91 1sbb h GLU 80 N 7.70 0.18 -2.74 1.70 5.08 -1.82 0.76 114.58 125.44 1sbb h GLU 80 Ca -0.11 -0.30 -0.61 0.00 -1.00 0.00 0.00 59.36 57.34 1sbb h GLU 80 Cb 1.03 0.11 -0.41 0.00 0.50 0.00 0.00 28.75 29.99 1sbb h GLU 80 CO 0.50 1.11 -0.73 1.28 -1.00 0.00 0.00 179.01 180.17 1sbb n LEU 81 N -3.45 1.81 -4.69 1.33 7.99 -1.25 -3.70 117.00 115.04 1sbb n LEU 81 Ca -0.07 -4.93 -0.44 0.00 -0.01 0.00 0.00 56.01 50.55 1sbb n LEU 81 Cb 1.00 -0.26 -0.03 0.00 -0.11 0.00 0.00 43.42 44.02 1sbb n LEU 81 CO 0.51 1.83 1.13 0.00 -1.51 0.00 0.00 177.39 179.35 1sbb n ALA 82 N 2.14 1.61 -2.46 -1.18 0.00 0.50 -4.64 120.51 116.49 1sbb n ALA 82 Ca 0.24 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.90 1sbb n ALA 82 Cb 0.40 -2.35 -0.11 0.00 0.00 0.00 0.00 19.45 17.39 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 0.25 1.56 0.39 0.00 -4.23 -1.26 0.60 115.64 112.95 1sbb s THR 83 Ca 0.70 -1.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1sbb s THR 83 Cb -0.61 -1.71 0.37 0.00 1.34 0.00 0.00 72.50 71.88 1sbb s THR 83 CO 0.46 -0.40 1.81 -0.65 -0.54 0.00 0.00 174.62 175.30 1sbb h PRO 84 N 3.31 0.46 0.00 3.99 0.11 -1.96 0.50 132.00 138.41 1sbb h PRO 84 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sbb h PRO 84 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sbb h PRO 84 CO 0.52 0.30 0.08 0.77 -0.21 0.00 0.00 178.00 179.46 1sbb h SER 85 N 0.47 0.00 -0.57 -2.05 0.02 -1.96 -1.11 113.55 108.35 1sbb h SER 85 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1sbb h SER 85 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1sbb h SER 85 CO -0.25 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.44 1sbb n GLN 86 N -2.45 2.51 -2.50 3.45 6.02 0.17 -4.89 117.38 119.68 1sbb n GLN 86 Ca -0.02 -2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 54.42 1sbb n GLN 86 Cb 0.12 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.32 4.30 -0.68 5.09 2.01 -0.42 -4.83 115.64 119.79 1sbb s THR 87 Ca 0.39 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.04 1sbb s THR 87 Cb 0.21 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1sbb s THR 87 CO 0.25 0.09 0.00 -0.24 -0.69 0.00 0.00 174.62 174.03 1sbb n SER 88 N 4.32 0.00 -4.42 3.53 2.88 -0.41 -5.00 113.62 114.52 1sbb n SER 88 Ca 0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 1sbb n SER 88 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 1sbb n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sbb s VAL 89 N -2.39 4.07 -0.15 2.46 1.01 -1.21 -1.33 120.40 122.85 1sbb s VAL 89 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1sbb s VAL 89 Cb 0.00 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1sbb s VAL 89 CO 0.00 0.37 0.23 -0.31 0.00 0.00 0.00 175.10 175.39 1sbb s TYR 90 N 1.49 3.50 -0.05 5.22 2.02 1.00 -0.93 117.35 129.59 1sbb s TYR 90 Ca 0.06 0.55 0.06 0.00 -0.37 0.00 0.00 57.07 57.36 1sbb s TYR 90 Cb -0.15 -2.22 -0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1sbb s TYR 90 CO 0.02 0.37 -0.23 -0.06 -1.57 0.00 0.00 175.55 174.08 1sbb s PHE 91 N 0.04 2.48 0.32 2.71 0.08 -0.53 0.77 117.98 123.85 1sbb s PHE 91 Ca 0.15 -0.58 0.07 0.00 0.12 0.00 0.00 56.93 56.69 1sbb s PHE 91 Cb -0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1sbb s PHE 91 CO 0.03 -0.13 0.26 0.00 -0.10 0.00 0.00 175.22 175.29 1sbb s ALA 93 N -2.28 -1.68 0.10 0.00 0.00 -1.06 -0.46 121.76 116.38 1sbb s ALA 93 Ca 0.39 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1sbb s ALA 93 Cb -0.06 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1sbb s ALA 93 CO 0.26 -0.79 0.32 -1.54 0.00 0.00 0.00 175.76 174.00 1sbb s SER 94 N -2.67 -0.10 0.00 0.00 1.04 -0.70 -1.05 113.70 110.21 1sbb s SER 94 Ca 0.05 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1sbb s SER 94 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1sbb s SER 94 CO -0.07 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1sbb n GLY 95 N -0.01 0.37 0.00 7.32 0.00 -0.88 0.11 105.19 112.10 1sbb n GLY 95 Ca -0.16 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.39 3.66 -0.02 0.00 -0.88 -3.85 105.19 100.71 1sbb n GLY 96 Ca 0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.12 1.59 0.23 -0.02 0.00 -1.26 -4.78 107.32 100.95 1sbb s GLY 97 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1sbb s GLY 97 CO 0.00 -0.00 1.40 -1.60 0.00 0.00 0.00 173.10 172.90 1sbb s ARG 98 N -5.31 4.31 0.00 2.90 3.52 -1.26 -1.94 118.95 121.17 1sbb s ARG 98 Ca 0.69 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.51 1sbb s ARG 98 Cb -0.12 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1sbb s ARG 98 CO 0.56 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1sbb n GLY 99 N 2.30 2.77 3.15 8.12 0.00 -1.26 -4.91 105.19 115.37 1sbb n GLY 99 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 5.44 0.27 1.61 2.88 -0.82 -4.84 113.62 118.17 1sbb n SER 100 Ca 0.00 -3.11 0.12 0.00 -1.33 0.00 0.00 58.87 54.54 1sbb n SER 100 Cb 0.00 -1.46 0.76 0.00 -0.75 0.00 0.00 64.21 62.77 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 6.27 0.00 0.00 0.66 0.05 -1.91 -1.82 116.97 120.21 1sbb h TYR 101 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 1sbb h TYR 101 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1sbb h TYR 101 CO 1.08 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 178.24 1sbb h ALA 102 N 1.96 1.00 0.00 3.88 0.00 -1.96 -2.93 119.26 121.21 1sbb h ALA 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sbb h ALA 102 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sbb h ALA 102 CO 0.01 0.00 -1.71 0.39 0.00 0.00 0.00 179.25 177.94 1sbb n GLU 105 N -2.35 0.63 -2.93 0.00 -0.58 -0.69 -5.00 120.64 109.72 1sbb n GLU 105 Ca 0.01 -0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.28 1sbb n GLU 105 Cb 0.21 -1.43 -0.07 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 -3.21 4.14 -0.25 3.49 -0.21 -1.11 -2.07 119.66 120.45 1sbb s GLN 106 Ca -0.05 0.96 0.02 0.00 0.02 0.00 0.00 55.36 56.31 1sbb s GLN 106 Cb 0.12 -2.27 0.06 0.00 1.00 0.00 0.00 33.01 31.92 1sbb s GLN 106 CO 0.77 0.03 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.81 1sbb s PHE 107 N -2.12 3.09 0.60 0.91 0.40 0.12 -4.92 117.98 116.06 1sbb s PHE 107 Ca 0.59 -2.18 -0.11 0.00 -0.60 0.00 0.00 56.93 54.63 1sbb s PHE 107 Cb -0.09 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1sbb s PHE 107 CO 0.15 -0.86 1.01 -0.06 0.70 0.00 0.00 175.22 176.16 1sbb s PHE 108 N 1.16 3.60 0.48 0.36 0.40 -1.26 -1.73 117.98 121.00 1sbb s PHE 108 Ca -0.07 1.28 0.08 0.00 -0.60 0.00 0.00 56.93 57.62 1sbb s PHE 108 Cb -0.19 -2.70 0.04 0.00 0.51 0.00 0.00 43.02 40.67 1sbb s PHE 108 CO -0.06 -0.62 0.66 0.20 0.70 0.00 0.00 175.22 176.10 1sbb s GLY 109 N -4.04 1.87 0.00 4.36 0.00 0.39 -4.69 107.32 105.21 1sbb s GLY 109 Ca 0.55 -1.82 0.09 0.00 0.00 0.00 0.00 44.72 43.54 1sbb s GLY 109 CO 0.51 -1.53 1.15 -1.55 0.00 0.00 0.00 173.10 171.68 1sbb n PRO 110 N -2.02 0.13 0.00 2.90 -0.04 -1.26 -4.66 135.00 130.05 1sbb n PRO 110 Ca 0.11 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1sbb n PRO 110 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1sbb n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sbb n GLY 111 N -0.52 -2.13 3.04 0.55 0.00 -1.26 -5.02 105.19 99.85 1sbb n GLY 111 Ca 0.04 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.49 1.44 -0.30 2.61 2.01 0.23 -4.83 115.64 113.31 1sbb s THR 112 Ca 0.00 -0.60 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 1sbb s THR 112 Cb 0.00 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 1sbb s THR 112 CO 0.00 0.43 0.79 -0.13 -0.69 0.00 0.00 174.62 175.02 1sbb s ARG 113 N 1.06 4.00 -0.10 4.92 1.81 -0.45 -0.00 118.95 130.18 1sbb s ARG 113 Ca -0.05 0.64 0.01 0.00 -1.72 0.00 0.00 55.73 54.60 1sbb s ARG 113 Cb -0.15 -3.71 0.02 0.00 -0.45 0.00 0.00 34.95 30.66 1sbb s ARG 113 CO -0.02 -0.65 -0.13 -1.17 -0.68 0.00 0.00 175.30 172.65 1sbb s LEU 114 N 2.93 1.59 -0.11 2.53 2.96 -0.44 -0.24 118.68 127.90 1sbb s LEU 114 Ca 0.33 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1sbb s LEU 114 Cb -0.14 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.57 1sbb s LEU 114 CO 0.12 -0.01 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.06 1sbb s THR 115 N 1.11 1.74 -0.36 3.68 2.01 0.58 -1.29 115.64 123.11 1sbb s THR 115 Ca -0.05 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 1sbb s THR 115 Cb -0.14 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1sbb s THR 115 CO -0.03 0.49 0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 1sbb s VAL 116 N 0.81 4.46 0.05 3.82 1.01 -1.26 -0.41 120.40 128.88 1sbb s VAL 116 Ca -0.09 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1sbb s VAL 116 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1sbb s VAL 116 CO 0.00 -0.18 -0.04 -0.76 0.00 0.00 0.00 175.10 174.12 1sbb s LEU 250 N 1.54 3.29 -0.06 3.92 1.43 0.19 -4.43 118.68 124.56 1sbb s LEU 250 Ca 0.02 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1sbb s LEU 250 Cb -0.19 -1.97 0.37 0.00 0.03 0.00 0.00 46.19 44.43 1sbb s LEU 250 CO 0.06 0.23 1.19 -1.84 0.23 0.00 0.00 176.35 176.22 1sbb n GLU 117 N 1.08 2.44 -3.15 1.70 0.00 -1.26 -2.07 120.64 119.38 1sbb n GLU 117 Ca -0.13 -1.45 0.05 0.00 0.00 0.00 0.00 57.16 55.63 1sbb n GLU 117 Cb 0.52 -1.61 -0.01 0.00 0.00 0.00 0.00 31.44 30.34 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 -0.67 -0.41 0.00 -1.84 -1.08 -1.26 -4.85 116.67 106.56 1sbb s ASP 118 Ca 0.26 0.23 0.09 0.00 -0.52 0.00 0.00 52.55 52.61 1sbb s ASP 118 Cb 0.17 1.33 0.40 0.00 -1.46 0.00 0.00 42.92 43.36 1sbb s ASP 118 CO 0.12 -0.08 1.28 0.18 0.52 0.00 0.00 175.17 177.20 1sbb n LEU 119 N 5.43 0.00 0.11 -1.34 4.77 -1.26 -1.81 117.00 122.90 1sbb n LEU 119 Ca -0.05 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1sbb n LEU 119 Cb 0.54 -0.48 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 1sbb n LEU 119 CO -0.12 -0.33 0.82 0.54 -1.33 0.00 0.00 177.39 176.98 1sbb n ARG 120 N -1.48 0.15 0.13 3.23 1.74 -1.26 -1.66 116.66 117.52 1sbb n ARG 120 Ca 0.02 0.42 0.13 0.00 -0.77 0.00 0.00 57.85 57.66 1sbb n ARG 120 Cb 0.10 -1.82 0.40 0.00 -1.02 0.00 0.00 32.46 30.12 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 -6.56 5.56 4.20 -1.76 -3.45 115.11 113.10 1sbb h GLN 121 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1sbb h GLN 121 Cb 0.30 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.09 1sbb h GLN 121 CO 0.00 0.00 0.62 0.08 -0.67 0.00 0.00 178.83 178.86 1sbb s VAL 122 N -3.17 3.61 -0.05 -0.54 1.01 -0.66 -4.75 120.40 115.84 1sbb s VAL 122 Ca 0.09 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 1sbb s VAL 122 Cb 0.11 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1sbb s VAL 122 CO 0.57 0.12 0.13 0.42 0.00 0.00 0.00 175.10 176.35 1sbb s THR 123 N 0.73 -0.02 0.87 3.92 -4.23 -0.17 -4.89 115.64 111.86 1sbb s THR 123 Ca 0.59 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1sbb s THR 123 Cb -0.33 -0.19 0.11 0.00 1.34 0.00 0.00 72.50 73.43 1sbb s THR 123 CO 0.32 0.02 1.09 -2.16 -0.54 0.00 0.00 174.62 173.36 1sbb s PRO 124 N 0.40 1.46 0.78 3.99 0.04 -1.26 -1.36 135.00 139.05 1sbb s PRO 124 Ca -0.03 0.83 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 1sbb s PRO 124 Cb -0.04 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.76 1sbb s PRO 124 CO -0.02 -2.10 1.11 -1.25 0.04 0.00 0.00 177.00 174.78 1sbb s PRO 125 N -4.96 1.87 -0.28 0.56 0.04 -1.26 -4.07 135.00 126.90 1sbb s PRO 125 Ca 0.63 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.48 1sbb s PRO 125 Cb -0.17 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1sbb s PRO 125 CO 0.56 -1.54 -0.01 0.21 0.04 0.00 0.00 177.00 176.26 1sbb s LYS 126 N -5.44 1.59 -0.16 4.56 2.20 -0.37 -4.93 119.74 117.18 1sbb s LYS 126 Ca 0.63 -1.34 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 1sbb s LYS 126 Cb -0.10 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1sbb s LYS 126 CO 0.47 -0.74 0.16 0.08 -0.36 0.00 0.00 175.35 174.95 1sbb s VAL 127 N 1.22 5.42 -0.03 4.02 1.01 -1.26 -1.51 120.40 129.27 1sbb s VAL 127 Ca 0.01 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 1sbb s VAL 127 Cb -0.19 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1sbb s VAL 127 CO -0.09 0.50 0.21 -0.44 0.00 0.00 0.00 175.10 175.28 1sbb s SER 128 N -0.15 -0.12 -0.06 3.32 0.01 -0.55 -4.78 113.70 111.37 1sbb s SER 128 Ca 0.12 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 1sbb s SER 128 Cb -0.12 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1sbb s SER 128 CO 0.01 -0.29 0.24 -0.76 0.41 0.00 0.00 173.24 172.86 1sbb s LEU 129 N -0.84 4.41 0.00 2.44 1.43 -1.26 -2.11 118.68 122.75 1sbb s LEU 129 Ca -0.09 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1sbb s LEU 129 Cb -0.05 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1sbb s LEU 129 CO 0.02 0.36 0.13 0.49 0.23 0.00 0.00 176.35 177.58 1sbb n PHE 130 N 1.78 -0.13 -3.47 0.29 3.72 0.81 -4.97 117.46 115.49 1sbb n PHE 130 Ca -0.17 -1.80 -0.05 0.00 -0.05 0.00 0.00 57.45 55.38 1sbb n PHE 130 Cb 0.54 0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 -3.00 0.43 0.46 -1.08 2.56 -1.26 -2.24 118.70 114.57 1sbb s GLU 131 Ca 0.18 0.98 -0.08 0.00 0.00 0.00 0.00 54.97 56.06 1sbb s GLU 131 Cb 0.01 0.27 0.11 0.00 2.00 0.00 0.00 34.13 36.52 1sbb s GLU 131 CO 0.13 -0.42 0.59 -2.30 -0.56 0.00 0.00 175.26 172.70 1sbb n PRO 132 N 5.40 -0.75 -3.79 4.30 -0.02 -1.26 -5.05 135.00 133.85 1sbb n PRO 132 Ca -0.06 -0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 60.37 1sbb n PRO 132 Cb 0.50 -0.64 -0.10 0.00 -0.02 0.00 0.00 33.50 33.24 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 -3.17 -0.19 0.52 2.55 1.04 -1.26 -5.02 113.70 108.16 1sbb s SER 133 Ca 0.34 0.24 0.27 0.00 0.48 0.00 0.00 55.95 57.28 1sbb s SER 133 Cb -0.01 0.41 1.46 0.00 0.10 0.00 0.00 66.02 67.97 1sbb s SER 133 CO 0.24 -0.28 2.08 0.07 0.98 0.00 0.00 173.24 176.32 1sbb h LYS 134 N 4.72 0.00 0.00 4.02 -0.00 -1.91 -2.13 116.57 121.27 1sbb h LYS 134 Ca -0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.37 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 0.37 0.11 -0.00 0.00 -0.00 0.00 0.00 179.45 179.93 1sbb h ALA 135 N 1.89 1.02 -0.00 0.07 0.00 -1.95 -0.93 119.26 119.35 1sbb h ALA 135 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sbb h ALA 135 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sbb h ALA 135 CO 0.01 0.01 -0.01 0.39 0.00 0.00 0.00 179.25 179.65 1sbb n GLU 136 N -3.12 0.80 -4.08 0.00 1.02 -0.80 -4.89 120.64 109.57 1sbb n GLU 136 Ca -0.02 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 1sbb n GLU 136 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.24 0.00 -0.11 -3.67 -4.36 -0.35 -5.03 121.20 105.44 1sbb s ILE 137 Ca 0.39 -1.58 0.15 0.00 -0.26 0.00 0.00 60.65 59.36 1sbb s ILE 137 Cb 0.21 -2.59 0.24 0.00 1.25 0.00 0.00 42.46 41.57 1sbb s ILE 137 CO 0.41 0.00 1.12 0.00 0.24 0.00 0.00 174.94 176.71 1sbb n ALA 138 N -0.53 2.25 -1.70 2.27 0.00 -1.26 -4.94 120.51 116.60 1sbb n ALA 138 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1sbb n ALA 138 Cb 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.15 0.00 0.00 0.00 4.13 -1.26 -5.15 115.26 111.84 1sbb n ASN 139 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1sbb n ASN 139 Cb 0.66 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 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 -0.07 3.52 0.00 -1.26 -5.08 118.16 115.27 1sbb n LYS 140 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 1sbb n LYS 140 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 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 0.36 0.00 1.64 0.00 -1.26 -4.77 117.38 113.35 1sbb n GLN 141 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1sbb n GLN 141 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 28.99 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 -3.08 0.00 -3.58 2.61 0.00 -1.26 -4.67 118.16 108.17 1sbb n LYS 142 Ca -0.27 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.89 1sbb n LYS 142 Cb 0.76 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.73 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 -0.53 -1.80 0.00 0.58 0.00 -1.26 -4.92 121.76 113.83 1sbb s ALA 143 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1sbb s ALA 143 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1sbb s ALA 143 CO 0.00 -0.34 0.00 2.41 0.00 0.00 0.00 175.76 177.83 1sbb n THR 144 N 1.84 0.00 -2.10 0.00 -1.04 -1.20 -4.66 114.28 107.12 1sbb n THR 144 Ca -0.16 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.52 1sbb n THR 144 Cb 0.56 -0.05 0.01 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 0.00 3.58 -0.04 -4.42 1.02 -0.73 -4.03 118.68 114.06 1sbb s LEU 145 Ca 0.00 1.95 0.01 0.00 0.02 0.00 0.00 54.13 56.12 1sbb s LEU 145 Cb 0.00 -4.55 0.02 0.00 0.02 0.00 0.00 46.19 41.67 1sbb s LEU 145 CO 0.00 -1.22 -0.06 -0.69 0.02 0.00 0.00 176.35 174.40 1sbb s VAL 146 N -2.21 0.61 -0.03 -1.59 1.01 -0.95 -0.72 120.40 116.52 1sbb s VAL 146 Ca 0.67 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1sbb s VAL 146 Cb -0.19 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1sbb s VAL 146 CO 0.33 0.23 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 1sbb s LEU 148 N -0.86 0.38 -0.11 0.00 2.96 -0.90 -1.04 118.68 119.12 1sbb s LEU 148 Ca 0.12 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1sbb s LEU 148 Cb -0.11 0.60 -0.02 0.00 0.50 0.00 0.00 46.19 47.16 1sbb s LEU 148 CO 0.01 -0.17 -0.12 0.00 -1.32 0.00 0.00 176.35 174.75 1sbb s ALA 149 N 1.44 2.68 0.11 5.97 0.00 0.34 -1.48 121.76 130.82 1sbb s ALA 149 Ca -0.07 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1sbb s ALA 149 Cb -0.11 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1sbb s ALA 149 CO -0.08 0.35 0.39 -0.98 0.00 0.00 0.00 175.76 175.44 1sbb s ARG 150 N -0.00 1.04 0.00 0.00 1.70 -0.57 -0.46 118.95 120.66 1sbb s ARG 150 Ca -0.03 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1sbb s ARG 150 Cb -0.14 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1sbb s ARG 150 CO 0.04 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1sbb n GLY 151 N -0.13 0.50 3.83 3.88 0.00 -0.52 -1.24 105.19 111.51 1sbb n GLY 151 Ca -0.16 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 3.19 -0.29 1.61 -0.12 -1.22 -4.58 117.98 114.58 1sbb s PHE 152 Ca 0.00 -0.03 -0.15 0.00 -0.05 0.00 0.00 56.93 56.70 1sbb s PHE 152 Cb 0.00 -1.50 0.11 0.00 -0.63 0.00 0.00 43.02 41.00 1sbb s PHE 152 CO 0.00 0.51 0.80 0.12 -0.05 0.00 0.00 175.22 176.60 1sbb s PHE 153 N -1.87 -0.92 0.00 3.49 5.36 -0.46 -0.25 117.98 123.33 1sbb s PHE 153 Ca 0.32 1.78 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 1sbb s PHE 153 Cb -0.09 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.14 1sbb s PHE 153 CO 0.25 -0.46 0.00 -2.30 -1.46 0.00 0.00 175.22 171.25 1sbb n PRO 154 N 4.31 0.53 -0.89 10.12 -0.02 -1.26 -1.00 135.00 146.78 1sbb n PRO 154 Ca -0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.13 1sbb n PRO 154 Cb 0.57 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.10 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 -0.87 6.21 -4.44 2.55 5.75 -1.26 -4.82 116.55 119.67 1sbb n ASP 155 Ca 0.00 -3.08 -0.44 0.00 -0.01 0.00 0.00 54.79 51.26 1sbb n ASP 155 Cb 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 1sbb n ASP 155 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1sbb s HIS 156 N -1.93 3.46 0.04 2.11 3.76 -1.26 -4.95 115.29 116.52 1sbb s HIS 156 Ca 0.33 -1.92 -0.00 0.00 -0.15 0.00 0.00 55.06 53.31 1sbb s HIS 156 Cb 0.26 -4.22 -0.03 0.00 1.11 0.00 0.00 32.58 29.70 1sbb s HIS 156 CO 0.00 -1.36 -0.03 0.14 -0.85 0.00 0.00 174.74 172.64 1sbb s VAL 157 N 1.59 0.17 -0.03 -0.90 -7.23 -1.25 -0.51 120.40 112.25 1sbb s VAL 157 Ca 0.36 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1sbb s VAL 157 Cb -0.05 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1sbb s VAL 157 CO -0.05 -0.75 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.37 1sbb s GLU 158 N -2.71 0.35 -0.09 4.82 8.01 -0.26 -4.94 118.70 123.89 1sbb s GLU 158 Ca -0.04 0.04 0.03 0.00 0.01 0.00 0.00 54.97 55.01 1sbb s GLU 158 Cb -0.01 -0.50 -0.01 0.00 -4.31 0.00 0.00 34.13 29.30 1sbb s GLU 158 CO -0.06 -0.11 -0.19 -1.17 0.01 0.00 0.00 175.26 173.74 1sbb s LEU 159 N 0.90 2.38 0.05 1.80 0.20 -1.26 0.16 118.68 122.91 1sbb s LEU 159 Ca -0.09 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.30 1sbb s LEU 159 Cb -0.13 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1sbb s LEU 159 CO -0.01 0.22 -0.02 -0.94 -0.29 0.00 0.00 176.35 175.31 1sbb s SER 160 N -0.00 0.45 -0.09 3.68 1.04 0.20 -4.99 113.70 113.99 1sbb s SER 160 Ca -0.06 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1sbb s SER 160 Cb -0.15 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1sbb s SER 160 CO 0.05 -0.59 -0.10 0.26 0.98 0.00 0.00 173.24 173.84 1sbb s TRP 161 N -3.75 2.86 -0.25 5.02 0.52 -1.26 -0.77 118.94 121.31 1sbb s TRP 161 Ca 0.05 -0.20 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 1sbb s TRP 161 Cb 0.07 -1.75 0.08 0.00 -1.15 0.00 0.00 33.47 30.72 1sbb s TRP 161 CO -0.09 0.13 0.09 -1.58 0.02 0.00 0.00 176.95 175.52 1sbb s TRP 162 N -0.40 0.76 -0.26 -1.98 0.52 -0.31 -1.00 118.94 116.28 1sbb s TRP 162 Ca 0.05 -0.94 -0.11 0.00 0.02 0.00 0.00 56.10 55.12 1sbb s TRP 162 Cb -0.12 -1.06 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 1sbb s TRP 162 CO 0.02 -0.72 0.17 0.14 0.02 0.00 0.00 176.95 176.58 1sbb s VAL 163 N 1.95 5.28 -1.07 4.03 -7.23 -0.19 -1.92 120.40 121.24 1sbb s VAL 163 Ca 0.05 0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.31 1sbb s VAL 163 Cb -0.17 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.29 1sbb s VAL 163 CO -0.22 0.29 0.93 0.59 -0.31 0.00 0.00 175.10 176.38 1sbb n ASN 164 N 4.75 -5.47 -0.56 4.85 3.02 0.15 -2.50 115.26 119.51 1sbb n ASN 164 Ca -0.14 -0.42 -0.07 0.00 -0.03 0.00 0.00 54.58 53.91 1sbb n ASN 164 Cb 0.52 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.59 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 -1.69 0.92 2.93 7.41 0.00 -1.26 -5.01 105.19 108.49 1sbb n GLY 165 Ca 0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.37 1.10 0.13 1.61 0.00 -1.04 -5.10 119.74 114.07 1sbb s LYS 166 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 55.97 55.46 1sbb s LYS 166 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 37.83 36.73 1sbb s LYS 166 CO 0.00 -0.05 1.41 -2.00 0.00 0.00 0.00 175.35 174.71 1sbb s GLU 167 N 0.84 4.31 0.32 1.78 2.12 -1.26 -1.02 118.70 125.79 1sbb s GLU 167 Ca -0.12 2.11 0.09 0.00 0.36 0.00 0.00 54.97 57.40 1sbb s GLU 167 Cb -0.15 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1sbb s GLU 167 CO 0.01 -0.44 0.10 0.14 -0.54 0.00 0.00 175.26 174.53 1sbb s VAL 168 N 1.03 3.17 0.00 3.70 -7.23 -0.17 -4.92 120.40 115.97 1sbb s VAL 168 Ca 0.65 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1sbb s VAL 168 Cb -0.38 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1sbb s VAL 168 CO 0.31 -0.24 0.00 1.41 -0.31 0.00 0.00 175.10 176.27 1sbb n HIS 169 N -1.07 0.00 -2.70 2.82 8.25 -1.26 -4.50 115.22 116.76 1sbb n HIS 169 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1sbb n HIS 169 Cb 0.61 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 1sbb n HIS 169 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1sbb s SER 170 N -0.21 6.99 0.00 0.41 0.01 -1.26 -3.51 113.70 116.12 1sbb s SER 170 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1sbb s SER 170 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1sbb s SER 170 CO 0.00 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1sbb n GLY 171 N 3.61 0.61 3.71 3.44 0.00 -1.26 -4.76 105.19 110.54 1sbb n GLY 171 Ca 0.11 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 5.11 -0.37 1.61 1.01 -1.23 -1.27 120.40 123.26 1sbb s VAL 172 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.16 1sbb s VAL 172 Cb 0.00 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.58 1sbb s VAL 172 CO 0.00 0.26 0.18 -0.55 0.00 0.00 0.00 175.10 174.99 1sbb s SER 173 N 0.79 3.70 0.09 3.32 0.15 0.12 -4.95 113.70 116.92 1sbb s SER 173 Ca 0.31 -2.15 0.01 0.00 0.70 0.00 0.00 55.95 54.82 1sbb s SER 173 Cb -0.16 -0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1sbb s SER 173 CO 0.13 -0.34 0.21 -0.89 1.20 0.00 0.00 173.24 173.56 1sbb s THR 174 N 0.99 5.27 0.37 6.45 2.01 -1.26 -0.97 115.64 128.49 1sbb s THR 174 Ca 0.14 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1sbb s THR 174 Cb -0.21 -3.61 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1sbb s THR 174 CO -0.10 0.08 1.43 -1.81 -0.69 0.00 0.00 174.62 173.53 1sbb s ASP 175 N -2.69 6.45 0.42 3.53 1.11 0.39 -4.90 116.67 120.99 1sbb s ASP 175 Ca 0.34 2.95 0.11 0.00 0.18 0.00 0.00 52.55 56.13 1sbb s ASP 175 Cb -0.12 -2.66 0.95 0.00 1.07 0.00 0.00 42.92 42.15 1sbb s ASP 175 CO 0.27 -0.79 2.01 1.55 1.18 0.00 0.00 175.17 179.40 1sbb h PRO 176 N 3.09 0.47 -1.75 8.23 0.13 -1.98 -3.43 132.00 136.75 1sbb h PRO 176 Ca -0.50 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1sbb h PRO 176 Cb 1.24 -0.11 -0.24 0.00 0.13 0.00 0.00 31.00 32.02 1sbb h PRO 176 CO 0.64 0.31 0.30 -1.14 -0.23 0.00 0.00 178.00 177.89 1sbb s GLN 177 N -5.45 0.61 0.23 0.86 0.74 -1.26 -5.15 119.66 110.25 1sbb s GLN 177 Ca -0.08 0.79 -0.32 0.00 0.05 0.00 0.00 55.36 55.81 1sbb s GLN 177 Cb 0.19 0.26 -0.13 0.00 1.10 0.00 0.00 33.01 34.43 1sbb s GLN 177 CO 0.74 -0.08 1.46 0.00 -0.55 0.00 0.00 175.29 176.86 1sbb n ALA 178 N 2.76 1.33 -2.91 1.58 0.00 -1.26 -4.97 120.51 117.05 1sbb n ALA 178 Ca -0.14 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1sbb n ALA 178 Cb 0.56 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 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 0.12 3.47 -0.20 0.00 2.02 0.46 -4.83 117.35 118.39 1sbb s TYR 179 Ca 0.69 0.20 -0.28 0.00 -0.37 0.00 0.00 57.07 57.32 1sbb s TYR 179 Cb -0.64 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1sbb s TYR 179 CO 0.47 0.57 0.96 0.15 -1.57 0.00 0.00 175.55 176.13 1sbb s LYS 180 N -2.66 4.28 0.03 -0.62 1.02 -1.26 0.10 119.74 120.63 1sbb s LYS 180 Ca 0.34 1.23 0.24 0.00 0.02 0.00 0.00 55.97 57.81 1sbb s LYS 180 Cb -0.12 -3.61 0.38 0.00 -0.52 0.00 0.00 37.83 33.95 1sbb s LYS 180 CO 0.27 -0.51 1.32 -0.85 -0.92 0.00 0.00 175.35 174.66 1sbb n GLU 181 N 5.87 0.10 -3.06 1.68 0.28 0.10 -4.90 120.64 120.71 1sbb n GLU 181 Ca 0.09 0.02 -0.04 0.00 -0.16 0.00 0.00 57.16 57.07 1sbb n GLU 181 Cb 0.47 -1.55 0.02 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.69 -1.42 -0.34 -1.84 3.41 -1.17 -4.99 113.62 105.59 1sbb n SER 182 Ca 0.04 -1.87 0.03 0.00 -0.26 0.00 0.00 58.87 56.81 1sbb n SER 182 Cb 0.37 2.34 0.17 0.00 -0.26 0.00 0.00 64.21 66.83 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 1.40 0.91 -1.30 4.04 7.08 -2.03 -3.20 115.58 122.46 1sbb h ASN 186 Ca -0.21 0.02 -0.48 0.00 -3.08 0.00 0.00 56.30 52.54 1sbb h ASN 186 Cb 0.86 -0.17 -0.41 0.00 -2.08 0.00 0.00 38.32 36.52 1sbb h ASN 186 CO 0.28 0.56 -0.95 -1.22 -2.08 0.00 0.00 177.43 174.02 1sbb n TYR 187 N -4.59 2.34 -3.64 4.14 4.01 -1.26 -5.04 117.16 113.11 1sbb n TYR 187 Ca 0.15 -3.00 -0.12 0.00 -0.16 0.00 0.00 57.90 54.77 1sbb n TYR 187 Cb 0.21 -0.23 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 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 -3.33 -0.76 0.34 7.72 0.15 -1.21 -4.72 113.70 111.89 1sbb s SER 189 Ca 0.38 1.39 0.09 0.00 0.70 0.00 0.00 55.95 58.51 1sbb s SER 189 Cb 0.42 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 66.06 1sbb s SER 189 CO -0.08 -0.24 0.08 -0.31 1.20 0.00 0.00 173.24 173.89 1sbb s TYR 190 N 0.70 2.63 0.05 3.44 1.51 0.65 -0.72 117.35 125.62 1sbb s TYR 190 Ca -0.03 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1sbb s TYR 190 Cb -0.05 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1sbb s TYR 190 CO -0.05 0.41 -0.07 0.00 -1.11 0.00 0.00 175.55 174.74 1sbb s LEU 192 N -1.87 -0.91 0.33 0.00 2.96 0.39 -0.40 118.68 119.18 1sbb s LEU 192 Ca -0.06 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 55.41 1sbb s LEU 192 Cb -0.07 2.38 -0.07 0.00 0.50 0.00 0.00 46.19 48.94 1sbb s LEU 192 CO -0.01 -0.24 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.80 1sbb s SER 193 N 1.47 3.27 0.17 3.68 1.04 -1.26 -0.50 113.70 121.56 1sbb s SER 193 Ca -0.09 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 54.86 1sbb s SER 193 Cb -0.05 -0.27 0.07 0.00 0.10 0.00 0.00 66.02 65.87 1sbb s SER 193 CO -0.17 -0.35 0.61 -0.55 0.98 0.00 0.00 173.24 173.76 1sbb s SER 194 N -3.56 -0.54 -0.04 7.02 0.15 -0.21 -0.46 113.70 116.07 1sbb s SER 194 Ca 0.32 -0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.85 1sbb s SER 194 Cb 0.05 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1sbb s SER 194 CO 0.15 -1.00 0.17 -0.13 1.20 0.00 0.00 173.24 173.62 1sbb s ARG 195 N -3.77 0.33 -0.26 5.44 0.52 -0.14 -0.32 118.95 120.74 1sbb s ARG 195 Ca 0.02 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1sbb s ARG 195 Cb -0.01 0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.67 1sbb s ARG 195 CO -0.11 -0.06 -0.03 -1.17 0.02 0.00 0.00 175.30 173.94 1sbb s LEU 196 N -0.50 3.06 -0.59 2.53 2.96 0.10 -0.70 118.68 125.55 1sbb s LEU 196 Ca -0.06 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.20 1sbb s LEU 196 Cb -0.04 -1.29 0.05 0.00 0.50 0.00 0.00 46.19 45.41 1sbb s LEU 196 CO 0.01 -0.27 0.93 0.00 -1.32 0.00 0.00 176.35 175.70 1sbb s ARG 197 N 1.28 3.24 0.43 1.98 1.70 -0.39 -1.78 118.95 125.40 1sbb s ARG 197 Ca -0.02 -0.50 0.07 0.00 -0.47 0.00 0.00 55.73 54.81 1sbb s ARG 197 Cb -0.19 -4.11 -0.05 0.00 -0.57 0.00 0.00 34.95 30.03 1sbb s ARG 197 CO -0.08 -1.58 0.17 0.14 -1.08 0.00 0.00 175.30 172.87 1sbb s VAL 198 N 3.92 2.16 0.30 4.99 -7.23 -1.26 -4.63 120.40 118.63 1sbb s VAL 198 Ca 0.27 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1sbb s VAL 198 Cb -0.14 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.82 1sbb s VAL 198 CO 0.16 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 175.14 1sbb s SER 199 N -3.91 7.14 0.37 4.85 1.04 -1.26 -4.88 113.70 117.05 1sbb s SER 199 Ca 0.38 2.35 0.12 0.00 0.48 0.00 0.00 55.95 59.27 1sbb s SER 199 Cb 0.04 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.43 1sbb s SER 199 CO 0.21 -0.24 1.85 0.00 0.98 0.00 0.00 173.24 176.04 1sbb h ALA 200 N 3.67 1.94 -0.33 5.32 0.00 -1.99 0.79 119.26 128.67 1sbb h ALA 200 Ca -0.47 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1sbb h ALA 200 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sbb h ALA 200 CO 0.66 -0.22 -0.05 1.15 0.00 0.00 0.00 179.25 180.79 1sbb h THR 201 N 0.60 1.27 -0.13 0.00 2.02 -1.95 0.20 112.91 114.92 1sbb h THR 201 Ca 0.48 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1sbb h THR 201 Cb 0.91 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1sbb h THR 201 CO -0.22 0.35 0.06 0.15 0.37 0.00 0.00 175.52 176.22 1sbb h PHE 202 N 0.40 0.20 -0.82 3.16 3.57 -1.51 0.10 116.94 122.03 1sbb h PHE 202 Ca 0.09 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1sbb h PHE 202 Cb 0.53 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1sbb h PHE 202 CO 0.05 0.26 0.50 2.35 -2.23 0.00 0.00 178.31 179.24 1sbb h TRP 203 N 0.07 1.08 0.00 0.41 -0.00 -0.85 -0.28 115.95 116.38 1sbb h TRP 203 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1sbb h TRP 203 Cb 0.15 -0.36 0.00 0.00 -0.00 0.00 0.00 29.16 28.95 1sbb h TRP 203 CO -0.02 0.72 0.00 0.72 -0.00 0.00 0.00 178.44 179.86 1sbb n HIS 204 N -4.37 0.00 -2.84 2.65 8.25 0.69 -1.32 115.22 118.27 1sbb n HIS 204 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 1sbb n HIS 204 Cb 0.06 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.03 6.23 0.00 0.41 3.84 0.29 -4.27 114.94 119.41 1sbb s ASN 205 Ca 0.47 -0.73 0.00 0.00 0.21 0.00 0.00 52.86 52.81 1sbb s ASN 205 Cb 0.22 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1sbb s ASN 205 CO 0.37 -1.38 0.73 -0.81 -2.79 0.00 0.00 177.10 173.23 1sbb n PRO 206 N 7.69 0.00 0.03 0.43 -0.04 -1.25 -1.19 135.00 140.66 1sbb n PRO 206 Ca -0.02 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1sbb n PRO 206 Cb 0.46 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1sbb n PRO 206 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sbb n ARG 207 N -1.23 0.22 -2.94 0.54 1.74 -1.26 -4.23 116.66 109.50 1sbb n ARG 207 Ca 0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 1sbb n ARG 207 Cb 0.03 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 1sbb n ARG 207 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sbb s ASN 208 N -3.76 7.35 -0.20 0.55 0.01 -0.34 -4.94 114.94 113.61 1sbb s ASN 208 Ca 0.06 1.60 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1sbb s ASN 208 Cb 0.15 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1sbb s ASN 208 CO 0.77 0.09 -0.10 -2.28 -1.51 0.00 0.00 177.10 174.07 1sbb s HIS 209 N -0.55 2.88 0.10 2.20 5.65 -1.26 -1.65 115.29 122.67 1sbb s HIS 209 Ca 0.39 -1.16 0.04 0.00 0.25 0.00 0.00 55.06 54.57 1sbb s HIS 209 Cb -0.22 -2.02 -0.04 0.00 -1.18 0.00 0.00 32.58 29.12 1sbb s HIS 209 CO 0.26 -0.61 0.09 -0.06 -0.65 0.00 0.00 174.74 173.77 1sbb s PHE 210 N 1.33 3.18 -0.20 3.88 0.40 0.15 0.32 117.98 127.03 1sbb s PHE 210 Ca 0.04 0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.25 1sbb s PHE 210 Cb -0.14 -1.59 0.06 0.00 0.51 0.00 0.00 43.02 41.86 1sbb s PHE 210 CO -0.06 0.52 0.53 0.50 0.70 0.00 0.00 175.22 177.41 1sbb s ARG 211 N -2.59 0.60 -0.28 0.44 3.52 -0.81 -1.16 118.95 118.68 1sbb s ARG 211 Ca 0.30 0.80 0.03 0.00 -0.13 0.00 0.00 55.73 56.72 1sbb s ARG 211 Cb -0.12 0.24 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 1sbb s ARG 211 CO 0.22 -0.09 -0.07 0.00 -0.81 0.00 0.00 175.30 174.55 1sbb s GLN 213 N 1.08 4.06 -0.14 0.00 -0.21 0.05 -1.86 119.66 122.64 1sbb s GLN 213 Ca -0.05 0.47 -0.01 0.00 0.02 0.00 0.00 55.36 55.79 1sbb s GLN 213 Cb -0.20 -3.27 0.04 0.00 1.00 0.00 0.00 33.01 30.58 1sbb s GLN 213 CO -0.05 0.57 -0.05 0.08 -2.12 0.00 0.00 175.29 173.73 1sbb s VAL 214 N -0.73 0.95 -0.45 1.09 1.01 -0.04 -0.63 120.40 121.60 1sbb s VAL 214 Ca 0.25 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1sbb s VAL 214 Cb -0.17 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1sbb s VAL 214 CO 0.14 0.19 0.58 -1.10 0.00 0.00 0.00 175.10 174.90 1sbb s GLN 215 N 1.72 3.18 -0.17 2.72 -1.52 0.12 -1.22 119.66 124.48 1sbb s GLN 215 Ca 0.02 -0.64 -0.06 0.00 -1.95 0.00 0.00 55.36 52.74 1sbb s GLN 215 Cb -0.14 -4.00 -0.04 0.00 -0.22 0.00 0.00 33.01 28.61 1sbb s GLN 215 CO -0.08 -1.02 0.03 0.12 -0.25 0.00 0.00 175.29 174.09 1sbb s PHE 216 N 2.56 3.17 -0.23 0.91 5.36 -0.95 -1.10 117.98 127.70 1sbb s PHE 216 Ca 0.17 -0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 56.02 1sbb s PHE 216 Cb -0.16 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1sbb s PHE 216 CO 0.15 0.09 0.05 -1.01 -1.46 0.00 0.00 175.22 173.04 1sbb s HIS 217 N 0.36 3.09 0.00 10.12 3.76 0.33 -4.39 115.29 128.56 1sbb s HIS 217 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1sbb s HIS 217 Cb -0.13 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1sbb s HIS 217 CO 0.01 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 1sbb n GLY 218 N 4.60 2.92 3.87 -2.22 0.00 -1.26 -4.62 105.19 108.47 1sbb n GLY 218 Ca -0.16 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 4.07 0.00 0.99 1.02 -1.19 -4.49 118.68 119.07 1sbb s LEU 219 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.21 1sbb s LEU 219 Cb 0.00 -3.86 -0.00 0.00 0.02 0.00 0.00 46.19 42.35 1sbb s LEU 219 CO 0.00 -0.18 0.01 -1.54 0.02 0.00 0.00 176.35 174.66 1sbb n SER 220 N -0.47 1.56 0.20 2.29 3.41 -1.26 -4.64 113.62 114.71 1sbb n SER 220 Ca 0.02 -1.22 0.04 0.00 -0.26 0.00 0.00 58.87 57.45 1sbb n SER 220 Cb 0.53 0.07 0.40 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.00 0.00 4.33 9.09 -2.02 -2.61 114.58 123.36 1sbb h GLU 221 Ca -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.33 1sbb h GLU 221 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 1sbb h GLU 221 CO 0.06 0.34 -0.19 1.05 0.05 0.00 0.00 179.01 180.33 1sbb h GLU 222 N 0.00 0.00 -6.54 1.06 -0.00 -2.03 -3.45 114.58 103.62 1sbb h GLU 222 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.83 1sbb h GLU 222 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 1sbb h GLU 222 CO 0.04 0.19 0.44 -0.51 -0.00 0.00 0.00 179.01 179.17 1sbb s ASP 223 N -6.18 7.30 -1.05 3.06 1.01 -0.99 -4.95 116.67 114.88 1sbb s ASP 223 Ca 0.03 1.91 -0.23 0.00 0.71 0.00 0.00 52.55 54.98 1sbb s ASP 223 Cb 0.08 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1sbb s ASP 223 CO 0.66 -0.25 1.68 -0.75 0.21 0.00 0.00 175.17 176.72 1sbb s LYS 224 N 0.33 3.27 -0.13 8.23 2.47 -1.26 -4.79 119.74 127.86 1sbb s LYS 224 Ca 0.51 -1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 53.59 1sbb s LYS 224 Cb -0.26 -5.30 -0.01 0.00 -1.46 0.00 0.00 37.83 30.80 1sbb s LYS 224 CO 0.31 -2.70 1.12 -0.46 0.16 0.00 0.00 175.35 173.78 1sbb s TRP 225 N 6.82 3.24 -0.21 4.03 -0.11 -1.26 -4.93 118.94 126.51 1sbb s TRP 225 Ca 0.56 1.34 -0.29 0.00 1.22 0.00 0.00 56.10 58.93 1sbb s TRP 225 Cb -0.01 -3.34 -0.03 0.00 -1.50 0.00 0.00 33.47 28.59 1sbb s TRP 225 CO -0.02 -0.90 1.73 -2.14 -4.62 0.00 0.00 176.95 171.00 1sbb s PRO 226 N 2.66 3.69 0.00 5.86 0.02 -1.26 -4.93 135.00 141.04 1sbb s PRO 226 Ca 0.51 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1sbb s PRO 226 Cb -0.20 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.22 1sbb s PRO 226 CO 0.16 -1.43 0.00 -1.91 -0.33 0.00 0.00 177.00 173.48 1sbb n GLU 227 N 7.88 3.30 0.00 5.54 2.13 -1.26 -4.39 120.64 133.84 1sbb n GLU 227 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1sbb n GLU 227 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 0.00 0.36 3.70 8.31 0.00 -1.26 -4.77 105.19 111.54 1sbb n GLY 228 Ca 0.00 0.71 -0.33 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.00 3.73 0.18 1.61 0.01 -1.26 -4.90 113.70 109.07 1sbb s SER 229 Ca 0.00 2.35 -0.31 0.00 1.31 0.00 0.00 55.95 59.30 1sbb s SER 229 Cb 0.00 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.54 1sbb s SER 229 CO 0.00 -2.57 1.54 -2.16 0.41 0.00 0.00 173.24 170.46 1sbb s PRO 230 N -4.11 4.23 -0.14 12.44 0.04 -1.26 -4.94 135.00 141.26 1sbb s PRO 230 Ca 0.73 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.82 1sbb s PRO 230 Cb -0.28 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1sbb s PRO 230 CO 0.50 -0.57 1.50 0.21 0.04 0.00 0.00 177.00 178.67 1sbb s LYS 231 N 0.89 4.10 -0.54 4.56 2.36 -1.26 -4.88 119.74 124.98 1sbb s LYS 231 Ca 0.68 1.85 -0.27 0.00 -2.55 0.00 0.00 55.97 55.68 1sbb s LYS 231 Cb -0.43 -3.92 -0.27 0.00 -1.05 0.00 0.00 37.83 32.16 1sbb s LYS 231 CO 0.33 -0.91 1.82 -2.30 1.55 0.00 0.00 175.35 175.84 1sbb n PRO 232 N 7.08 0.47 -1.35 4.03 -0.02 -1.26 -4.63 135.00 139.32 1sbb n PRO 232 Ca 0.16 -1.49 -0.27 0.00 -2.02 0.00 0.00 63.50 59.89 1sbb n PRO 232 Cb 0.44 -3.07 0.11 0.00 -0.02 0.00 0.00 33.50 30.96 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 7.43 3.24 -1.23 -1.45 3.14 -1.26 -3.20 118.33 125.00 1sbb n VAL 233 Ca 0.46 -2.87 -0.29 0.00 -2.96 0.00 0.00 64.34 58.68 1sbb n VAL 233 Cb 0.43 -0.89 0.16 0.00 -1.06 0.00 0.00 33.84 32.49 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 -4.25 2.16 0.00 1.55 2.01 -1.26 -5.05 115.64 110.80 1sbb s THR 234 Ca 0.59 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1sbb s THR 234 Cb 0.48 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1sbb s THR 234 CO 0.03 -0.07 0.00 0.00 -0.69 0.00 0.00 174.62 173.89 1sbb n GLN 235 N -4.07 0.00 -3.32 4.92 6.02 -1.26 -4.69 117.38 114.98 1sbb n GLN 235 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 1sbb n GLN 235 Cb 0.57 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.75 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 1.20 6.22 0.09 1.08 3.84 -1.26 -2.24 114.94 123.87 1sbb s ASN 236 Ca 0.00 -0.39 -0.04 0.00 0.21 0.00 0.00 52.86 52.64 1sbb s ASN 236 Cb 0.00 -2.23 -0.05 0.00 -0.55 0.00 0.00 41.25 38.42 1sbb s ASN 236 CO 0.00 -0.50 0.31 -0.63 -2.79 0.00 0.00 177.10 173.49 1sbb s ILE 237 N 2.19 5.26 0.01 -5.21 1.01 -0.36 -4.91 121.20 119.18 1sbb s ILE 237 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.76 1sbb s ILE 237 Cb -0.16 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1sbb s ILE 237 CO 0.13 0.14 -0.06 -0.44 0.00 0.00 0.00 174.94 174.71 1sbb s SER 238 N -2.29 0.74 -0.28 3.58 0.01 -1.26 -0.86 113.70 113.34 1sbb s SER 238 Ca 0.36 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.43 1sbb s SER 238 Cb -0.13 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.11 1sbb s SER 238 CO 0.24 0.01 -0.05 0.00 0.41 0.00 0.00 173.24 173.85 1sbb s ALA 239 N -0.41 2.69 0.09 1.44 0.00 -0.78 -4.95 121.76 119.84 1sbb s ALA 239 Ca -0.00 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.18 1sbb s ALA 239 Cb -0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1sbb s ALA 239 CO -0.00 -1.29 -0.17 -1.21 0.00 0.00 0.00 175.76 173.09 1sbb s GLU 240 N 1.13 1.91 0.16 0.00 2.02 -1.26 -0.88 118.70 121.78 1sbb s GLU 240 Ca -0.06 -1.10 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 1sbb s GLU 240 Cb -0.20 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 31.90 1sbb s GLU 240 CO -0.04 0.50 0.44 0.00 0.02 0.00 0.00 175.26 176.18 1sbb s ALA 241 N -1.08 -0.80 0.45 5.21 0.00 -0.31 -4.99 121.76 120.23 1sbb s ALA 241 Ca 0.17 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1sbb s ALA 241 Cb -0.11 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1sbb s ALA 241 CO 0.09 -0.71 0.15 -1.58 0.00 0.00 0.00 175.76 173.70 1sbb s TRP 242 N -3.86 2.31 0.40 0.00 0.52 -1.26 0.31 118.94 117.37 1sbb s TRP 242 Ca 0.08 -0.71 -0.25 0.00 0.02 0.00 0.00 56.10 55.24 1sbb s TRP 242 Cb 0.01 -1.86 -0.08 0.00 -1.15 0.00 0.00 33.47 30.39 1sbb s TRP 242 CO -0.06 0.15 1.12 0.20 0.02 0.00 0.00 176.95 178.38 1sbb s GLY 243 N -3.92 2.82 0.16 0.98 0.00 -0.66 -4.92 107.32 101.79 1sbb s GLY 243 Ca 0.32 0.87 0.06 0.00 0.00 0.00 0.00 44.72 45.97 1sbb s GLY 243 CO 0.18 1.35 0.05 0.50 0.00 0.00 0.00 173.10 175.18 1sbb s ARG 244 N -2.39 2.61 0.99 2.90 0.52 -0.44 -3.80 118.95 119.34 1sbb s ARG 244 Ca 0.58 -1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1sbb s ARG 244 Cb -0.27 -2.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.62 1sbb s ARG 244 CO 0.34 0.47 -0.48 0.00 0.02 0.00 0.00 175.30 175.66 1sbb n ALA 245 N -0.16 -4.64 0.00 2.13 0.00 -1.26 -3.76 120.51 112.82 1sbb n ALA 245 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1sbb n ALA 245 Cb 0.55 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1sbb n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25