#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bh3 s ILE 2 N 0.00 2.16 0.20 1.12 1.01 -1.26 -0.55 121.20 123.89 1bh3 s ILE 2 Ca 0.00 -0.93 0.11 0.00 0.00 0.00 0.00 60.65 59.83 1bh3 s ILE 2 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1bh3 s ILE 2 CO 0.00 0.54 -0.21 -0.94 0.00 0.00 0.00 174.94 174.33 1bh3 s SER 3 N 0.98 3.59 -0.09 3.58 1.04 0.57 -4.98 113.70 118.39 1bh3 s SER 3 Ca -0.03 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.61 1bh3 s SER 3 Cb -0.15 -0.34 -0.00 0.00 0.10 0.00 0.00 66.02 65.64 1bh3 s SER 3 CO -0.05 0.11 -0.24 -0.76 0.98 0.00 0.00 173.24 173.28 1bh3 s LEU 4 N -2.80 2.06 0.21 2.42 1.43 -1.26 -0.93 118.68 119.82 1bh3 s LEU 4 Ca 0.23 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1bh3 s LEU 4 Cb -0.08 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1bh3 s LEU 4 CO 0.11 0.18 0.13 0.54 0.23 0.00 0.00 176.35 177.54 1bh3 s ASN 5 N 0.22 0.37 0.00 2.29 2.20 -0.78 -5.00 114.94 114.24 1bh3 s ASN 5 Ca -0.15 -1.40 0.00 0.00 -0.94 0.00 0.00 52.86 50.37 1bh3 s ASN 5 Cb -0.17 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.44 1bh3 s ASN 5 CO 0.07 -0.83 0.00 0.61 -2.94 0.00 0.00 177.10 174.01 1bh3 n GLY 6 N -0.31 -0.82 3.36 0.45 0.00 -1.26 -0.25 105.19 106.35 1bh3 n GLY 6 Ca 0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1bh3 n GLY 6 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bh3 s TYR 7 N -3.00 -0.32 0.09 1.61 -0.85 -0.43 -0.95 117.35 113.49 1bh3 s TYR 7 Ca 0.00 0.04 0.08 0.00 -0.52 0.00 0.00 57.07 56.68 1bh3 s TYR 7 Cb 0.00 0.37 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1bh3 s TYR 7 CO 0.00 -0.76 -0.21 0.20 -1.52 0.00 0.00 175.55 173.25 1bh3 s GLY 8 N -2.79 1.24 -0.04 5.49 0.00 -0.48 -1.10 107.32 109.65 1bh3 s GLY 8 Ca 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 1bh3 s GLY 8 CO -0.12 -1.20 0.11 1.09 0.00 0.00 0.00 173.10 172.98 1bh3 s ARG 9 N -1.73 0.17 0.06 2.90 1.70 -0.66 -1.18 118.95 120.23 1bh3 s ARG 9 Ca 0.07 0.08 -0.13 0.00 -0.47 0.00 0.00 55.73 55.28 1bh3 s ARG 9 Cb -0.10 0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.38 1bh3 s ARG 9 CO 0.04 -0.03 0.30 -0.59 -1.08 0.00 0.00 175.30 173.94 1bh3 s PHE 10 N -0.14 -0.09 -1.91 5.89 -0.12 -0.63 -1.14 117.98 119.84 1bh3 s PHE 10 Ca -0.02 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1bh3 s PHE 10 Cb -0.02 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1bh3 s PHE 10 CO 0.00 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.05 1bh3 n GLY 11 N 0.39 -0.54 3.59 1.99 0.00 -0.99 -1.63 105.19 108.00 1bh3 n GLY 11 Ca -0.18 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1bh3 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bh3 s LEU 12 N 0.00 3.38 -0.12 0.99 1.43 0.51 -1.96 118.68 122.92 1bh3 s LEU 12 Ca 0.00 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1bh3 s LEU 12 Cb 0.00 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1bh3 s LEU 12 CO 0.00 0.29 -0.17 -1.58 0.23 0.00 0.00 176.35 175.12 1bh3 s GLN 13 N -0.37 2.42 -0.09 1.70 0.74 -0.11 -2.19 119.66 121.76 1bh3 s GLN 13 Ca 0.06 -0.63 0.04 0.00 0.05 0.00 0.00 55.36 54.88 1bh3 s GLN 13 Cb -0.12 -2.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.96 1bh3 s GLN 13 CO 0.02 -0.05 -0.23 -0.47 -0.55 0.00 0.00 175.29 174.01 1bh3 s TYR 14 N 0.95 2.55 -0.24 1.67 5.04 0.52 -1.13 117.35 126.71 1bh3 s TYR 14 Ca -0.07 -0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 53.64 1bh3 s TYR 14 Cb -0.15 -1.69 0.07 0.00 0.35 0.00 0.00 41.96 40.54 1bh3 s TYR 14 CO -0.02 -0.34 0.03 0.08 -1.34 0.00 0.00 175.55 173.96 1bh3 s VAL 15 N 0.19 0.93 0.09 3.14 1.01 -0.51 -0.85 120.40 124.40 1bh3 s VAL 15 Ca -0.14 -1.00 -0.35 0.00 0.00 0.00 0.00 61.98 60.49 1bh3 s VAL 15 Cb -0.17 -1.44 -0.15 0.00 0.00 0.00 0.00 36.38 34.62 1bh3 s VAL 15 CO 0.07 -0.31 1.52 1.21 0.00 0.00 0.00 175.10 177.59 1bh3 n GLU 16 N 4.87 1.71 -3.91 2.72 2.13 -0.36 -2.42 120.64 125.39 1bh3 n GLU 16 Ca -0.08 0.62 -0.28 0.00 0.66 0.00 0.00 57.16 58.08 1bh3 n GLU 16 Cb 0.45 -2.34 -0.01 0.00 0.27 0.00 0.00 31.44 29.81 1bh3 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bh3 n ASP 17 N 3.41 -1.49 -0.29 4.31 8.00 -1.26 -4.77 116.55 124.46 1bh3 n ASP 17 Ca 0.18 -1.03 0.13 0.00 0.71 0.00 0.00 54.79 54.78 1bh3 n ASP 17 Cb 0.24 -3.02 0.38 0.00 -0.02 0.00 0.00 41.12 38.69 1bh3 n ASP 17 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1bh3 h ARG 18 N -1.89 0.67 0.00 -1.24 2.43 -1.79 -3.46 114.38 109.10 1bh3 h ARG 18 Ca -0.64 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1bh3 h ARG 18 Cb 1.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1bh3 h ARG 18 CO 0.59 0.44 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 1bh3 n GLY 19 N -1.42 2.28 3.68 2.80 0.00 -1.26 -5.01 105.19 106.26 1bh3 n GLY 19 Ca 0.19 -0.60 -0.49 0.00 0.00 0.00 0.00 46.02 45.11 1bh3 n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bh3 n VAL 20 N -0.57 0.46 -1.29 1.61 0.31 -1.26 -1.09 118.33 116.50 1bh3 n VAL 20 Ca 0.00 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 1bh3 n VAL 20 Cb 0.00 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 1bh3 n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bh3 n GLY 21 N 4.21 1.15 3.46 2.92 0.00 -1.26 -5.02 105.19 110.66 1bh3 n GLY 21 Ca 0.22 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1bh3 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bh3 s LEU 22 N -2.29 2.58 0.27 0.99 1.43 -0.25 -5.12 118.68 116.31 1bh3 s LEU 22 Ca 0.00 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1bh3 s LEU 22 Cb 0.00 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 1bh3 s LEU 22 CO 0.00 0.17 0.96 -1.61 0.23 0.00 0.00 176.35 176.10 1bh3 s GLU 23 N -2.24 4.73 0.14 1.70 0.41 -1.26 -4.59 118.70 117.59 1bh3 s GLU 23 Ca 0.18 1.48 -0.05 0.00 -0.41 0.00 0.00 54.97 56.17 1bh3 s GLU 23 Cb -0.10 -3.10 -0.06 0.00 -1.78 0.00 0.00 34.13 29.09 1bh3 s GLU 23 CO 0.09 0.39 1.34 -0.44 -0.49 0.00 0.00 175.26 176.15 1bh3 h ASP 24 N 3.77 0.56 -3.54 -0.19 3.32 -1.94 -3.44 116.42 114.97 1bh3 h ASP 24 Ca -0.46 -0.42 -0.64 0.00 0.02 0.00 0.00 57.03 55.53 1bh3 h ASP 24 Cb 1.20 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 40.36 1bh3 h ASP 24 CO 0.67 1.20 -0.63 -0.89 -1.72 0.00 0.00 179.24 177.87 1bh3 s THR 25 N -3.40 4.25 0.34 0.35 2.01 -1.26 -1.42 115.64 116.51 1bh3 s THR 25 Ca -0.06 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1bh3 s THR 25 Cb 0.09 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1bh3 s THR 25 CO 0.86 0.38 0.08 0.27 -0.69 0.00 0.00 174.62 175.52 1bh3 s ILE 26 N 1.30 1.00 -0.45 1.82 -4.36 -0.29 -4.97 121.20 115.26 1bh3 s ILE 26 Ca 0.05 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 1bh3 s ILE 26 Cb -0.15 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 40.93 1bh3 s ILE 26 CO 0.03 0.00 0.53 -0.63 0.24 0.00 0.00 174.94 175.11 1bh3 s ILE 27 N -3.31 4.98 -0.16 8.37 1.01 -1.26 -0.93 121.20 129.90 1bh3 s ILE 27 Ca 0.33 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1bh3 s ILE 27 Cb 0.07 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1bh3 s ILE 27 CO 0.15 -0.57 0.04 -0.55 0.00 0.00 0.00 174.94 174.01 1bh3 s SER 28 N 2.11 5.52 0.09 3.58 0.15 -0.83 -4.95 113.70 119.37 1bh3 s SER 28 Ca 0.15 0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.80 1bh3 s SER 28 Cb -0.17 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1bh3 s SER 28 CO 0.14 0.23 0.22 -0.94 1.20 0.00 0.00 173.24 174.09 1bh3 s SER 29 N 0.02 0.07 -0.09 5.45 1.04 -1.26 -2.35 113.70 116.58 1bh3 s SER 29 Ca 0.05 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1bh3 s SER 29 Cb -0.12 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1bh3 s SER 29 CO 0.01 -0.75 0.24 -0.60 0.98 0.00 0.00 173.24 173.13 1bh3 s ARG 30 N -3.85 0.28 -0.14 4.02 3.52 -0.29 -2.09 118.95 120.40 1bh3 s ARG 30 Ca 0.05 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1bh3 s ARG 30 Cb 0.04 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1bh3 s ARG 30 CO -0.11 -0.04 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.95 1bh3 s LEU 31 N 0.18 2.14 -0.13 -0.88 2.96 0.28 -1.65 118.68 121.58 1bh3 s LEU 31 Ca -0.00 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1bh3 s LEU 31 Cb -0.02 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1bh3 s LEU 31 CO -0.00 0.09 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.32 1bh3 s ARG 32 N 0.75 2.79 -0.17 1.98 3.52 -0.26 -0.93 118.95 126.63 1bh3 s ARG 32 Ca -0.08 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1bh3 s ARG 32 Cb -0.16 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 1bh3 s ARG 32 CO -0.00 -0.05 -0.16 0.42 -0.81 0.00 0.00 175.30 174.70 1bh3 s ILE 33 N 0.91 2.55 -0.20 4.11 -1.09 0.34 -1.32 121.20 126.50 1bh3 s ILE 33 Ca -0.06 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 1bh3 s ILE 33 Cb -0.15 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1bh3 s ILE 33 CO -0.03 0.51 0.10 0.20 -1.23 0.00 0.00 174.94 174.49 1bh3 s ASN 34 N 1.01 5.85 -0.25 3.58 0.01 0.66 -0.78 114.94 125.02 1bh3 s ASN 34 Ca -0.02 0.12 -0.03 0.00 -0.71 0.00 0.00 52.86 52.22 1bh3 s ASN 34 Cb -0.15 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.51 1bh3 s ASN 34 CO -0.04 0.15 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.05 1bh3 s ILE 35 N 0.51 3.22 -0.16 0.60 1.01 0.59 -1.86 121.20 125.11 1bh3 s ILE 35 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1bh3 s ILE 35 Cb -0.12 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1bh3 s ILE 35 CO 0.00 0.25 -0.19 -0.69 0.00 0.00 0.00 174.94 174.32 1bh3 s VAL 36 N 1.40 1.89 -0.13 2.92 1.01 -0.10 -0.91 120.40 126.49 1bh3 s VAL 36 Ca 0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1bh3 s VAL 36 Cb -0.16 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1bh3 s VAL 36 CO -0.03 0.51 -0.02 -0.83 0.00 0.00 0.00 175.10 174.74 1bh3 s GLY 37 N 1.21 1.78 0.02 4.51 0.00 0.14 -0.32 107.32 114.66 1bh3 s GLY 37 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1bh3 s GLY 37 CO -0.09 -0.27 -0.08 -0.51 0.00 0.00 0.00 173.10 172.15 1bh3 s THR 38 N -0.15 0.57 -0.21 0.90 -4.23 0.29 -0.91 115.64 111.90 1bh3 s THR 38 Ca 0.04 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1bh3 s THR 38 Cb -0.13 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.21 1bh3 s THR 38 CO 0.02 -0.10 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.05 1bh3 s THR 39 N -0.75 1.43 0.17 3.99 2.01 0.39 -1.53 115.64 121.34 1bh3 s THR 39 Ca -0.03 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 1bh3 s THR 39 Cb -0.06 -1.65 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 1bh3 s THR 39 CO 0.00 -0.01 0.50 -1.61 -0.69 0.00 0.00 174.62 172.81 1bh3 s GLU 40 N 1.46 3.81 0.20 4.92 2.02 -1.26 -0.88 118.70 128.97 1bh3 s GLU 40 Ca -0.03 0.26 0.07 0.00 0.02 0.00 0.00 54.97 55.28 1bh3 s GLU 40 Cb -0.18 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1bh3 s GLU 40 CO -0.07 0.43 -0.13 0.95 0.02 0.00 0.00 175.26 176.45 1bh3 s THR 41 N -1.63 1.67 -0.89 3.63 -4.23 -1.07 -4.98 115.64 108.13 1bh3 s THR 41 Ca 0.41 -2.19 0.22 0.00 -1.18 0.00 0.00 61.69 58.95 1bh3 s THR 41 Cb -0.13 -2.05 0.20 0.00 1.34 0.00 0.00 72.50 71.86 1bh3 s THR 41 CO 0.21 -0.59 1.69 -0.90 -0.54 0.00 0.00 174.62 174.48 1bh3 n ASP 42 N -0.37 0.20 -0.06 3.99 5.68 -1.26 -2.01 116.55 122.72 1bh3 n ASP 42 Ca -0.08 0.53 0.15 0.00 -0.50 0.00 0.00 54.79 54.89 1bh3 n ASP 42 Cb 0.61 -0.58 0.76 0.00 -1.14 0.00 0.00 41.12 40.77 1bh3 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bh3 n GLN 43 N -1.70 0.73 -0.77 0.11 1.13 -1.26 -4.91 117.38 110.71 1bh3 n GLN 43 Ca 0.05 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1bh3 n GLN 43 Cb 0.26 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1bh3 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bh3 n GLY 44 N 1.20 0.81 3.67 1.08 0.00 -0.85 -5.02 105.19 106.07 1bh3 n GLY 44 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1bh3 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bh3 s VAL 45 N -3.12 5.15 -0.12 1.61 1.01 -1.26 -4.54 120.40 119.13 1bh3 s VAL 45 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 1bh3 s VAL 45 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1bh3 s VAL 45 CO 0.00 0.22 0.02 -0.89 0.00 0.00 0.00 175.10 174.45 1bh3 s THR 46 N 1.38 4.42 -0.02 3.92 2.01 -0.39 -2.61 115.64 124.34 1bh3 s THR 46 Ca 0.23 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1bh3 s THR 46 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1bh3 s THR 46 CO 0.09 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.11 1bh3 s PHE 47 N -0.43 2.78 0.10 4.92 0.40 -0.06 -1.33 117.98 124.36 1bh3 s PHE 47 Ca 0.08 -0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 1bh3 s PHE 47 Cb -0.12 -1.61 -0.00 0.00 0.51 0.00 0.00 43.02 41.80 1bh3 s PHE 47 CO 0.02 0.28 0.21 0.20 0.70 0.00 0.00 175.22 176.63 1bh3 s GLY 48 N -1.07 0.15 0.01 4.36 0.00 -0.08 -0.46 107.32 110.22 1bh3 s GLY 48 Ca 0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1bh3 s GLY 48 CO 0.04 -0.81 0.07 0.00 0.00 0.00 0.00 173.10 172.40 1bh3 s ALA 49 N -3.88 -0.14 0.02 3.20 0.00 -0.09 -0.82 121.76 120.06 1bh3 s ALA 49 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1bh3 s ALA 49 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1bh3 s ALA 49 CO -0.09 -0.18 0.08 -1.59 0.00 0.00 0.00 175.76 173.98 1bh3 s LYS 50 N -1.30 0.47 0.02 0.00 -2.85 -0.09 -0.69 119.74 115.30 1bh3 s LYS 50 Ca -0.14 -0.57 0.01 0.00 -1.00 0.00 0.00 55.97 54.28 1bh3 s LYS 50 Cb -0.08 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.86 1bh3 s LYS 50 CO 0.00 -0.11 -0.05 -1.17 0.10 0.00 0.00 175.35 174.13 1bh3 s LEU 51 N -1.63 2.15 -0.02 2.77 2.96 -0.08 -2.67 118.68 122.15 1bh3 s LEU 51 Ca -0.12 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1bh3 s LEU 51 Cb -0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 1bh3 s LEU 51 CO -0.01 -0.11 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.08 1bh3 s ARG 52 N -0.91 1.91 -0.26 1.98 3.52 -1.26 -0.30 118.95 123.63 1bh3 s ARG 52 Ca -0.06 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1bh3 s ARG 52 Cb -0.06 -1.83 0.06 0.00 -1.56 0.00 0.00 34.95 31.56 1bh3 s ARG 52 CO -0.00 0.49 -0.08 -1.64 -0.81 0.00 0.00 175.30 173.26 1bh3 s MET 53 N -0.52 2.01 -0.06 5.12 -1.94 0.04 -1.69 119.30 122.25 1bh3 s MET 53 Ca 0.08 -1.29 0.03 0.00 -1.71 0.00 0.00 55.69 52.80 1bh3 s MET 53 Cb -0.09 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 33.93 1bh3 s MET 53 CO -0.01 -0.61 -0.16 -1.14 -0.01 0.00 0.00 175.02 173.10 1bh3 s GLN 54 N 1.17 1.96 -0.08 2.03 0.74 -1.26 -0.51 119.66 123.72 1bh3 s GLN 54 Ca -0.07 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1bh3 s GLN 54 Cb -0.20 -1.60 -0.01 0.00 1.10 0.00 0.00 33.01 32.30 1bh3 s GLN 54 CO -0.06 0.12 -0.20 -0.46 -0.55 0.00 0.00 175.29 174.14 1bh3 s TRP 55 N 0.41 2.59 0.07 1.67 -0.00 -0.11 -4.66 118.94 118.91 1bh3 s TRP 55 Ca -0.12 -0.63 0.07 0.00 -0.00 0.00 0.00 56.10 55.42 1bh3 s TRP 55 Cb -0.15 -1.67 -0.03 0.00 -0.00 0.00 0.00 33.47 31.62 1bh3 s TRP 55 CO 0.04 -0.16 -0.18 -0.51 -0.00 0.00 0.00 176.95 176.15 1bh3 s ASP 56 N -0.11 2.10 0.42 5.86 1.11 -1.26 -0.56 116.67 124.24 1bh3 s ASP 56 Ca -0.04 -0.60 -0.26 0.00 0.18 0.00 0.00 52.55 51.83 1bh3 s ASP 56 Cb -0.14 -0.11 -0.09 0.00 1.07 0.00 0.00 42.92 43.64 1bh3 s ASP 56 CO 0.04 0.03 1.47 -0.90 1.18 0.00 0.00 175.17 176.99 1bh3 n ASP 57 N 1.40 3.59 0.00 0.27 5.75 -0.89 -1.55 116.55 125.13 1bh3 n ASP 57 Ca -0.19 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.75 1bh3 n ASP 57 Cb 0.54 -1.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 1bh3 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bh3 n GLY 58 N 0.51 1.77 3.76 6.12 0.00 -1.26 -4.94 105.19 111.15 1bh3 n GLY 58 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1bh3 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bh3 n ASP 59 N 0.00 3.27 -4.68 1.61 8.00 -0.59 -4.90 116.55 119.27 1bh3 n ASP 59 Ca 0.00 1.11 -0.44 0.00 0.71 0.00 0.00 54.79 56.17 1bh3 n ASP 59 Cb 0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 39.48 1bh3 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bh3 n ALA 60 N -0.26 1.19 -0.88 2.24 0.00 -1.26 -2.26 120.51 119.27 1bh3 n ALA 60 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1bh3 n ALA 60 Cb 0.41 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1bh3 n ALA 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bh3 n PHE 61 N 1.71 0.00 -4.03 0.00 3.72 -1.26 -3.76 117.46 113.84 1bh3 n PHE 61 Ca 0.11 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 1bh3 n PHE 61 Cb 0.32 -0.71 -0.01 0.00 -0.94 0.00 0.00 39.48 38.14 1bh3 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bh3 n ALA 62 N 1.00 -1.52 -2.28 4.37 0.00 -0.96 -4.96 120.51 116.15 1bh3 n ALA 62 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 1bh3 n ALA 62 Cb 0.09 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.33 1bh3 n ALA 62 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bh3 s GLY 63 N -3.67 1.64 -0.01 0.00 0.00 -1.25 -5.13 107.32 98.90 1bh3 s GLY 63 Ca 0.47 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1bh3 s GLY 63 CO 0.88 -1.54 -0.08 -1.59 0.00 0.00 0.00 173.10 170.77 1bh3 s THR 64 N -3.86 0.66 0.29 0.90 2.01 -1.26 -4.89 115.64 109.48 1bh3 s THR 64 Ca 0.38 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1bh3 s THR 64 Cb 0.08 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1bh3 s THR 64 CO 0.13 0.19 0.13 0.00 -0.69 0.00 0.00 174.62 174.38 1bh3 s ALA 65 N -0.12 1.90 0.57 7.40 0.00 -1.26 -5.04 121.76 125.21 1bh3 s ALA 65 Ca 0.02 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 1bh3 s ALA 65 Cb -0.04 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 1bh3 s ALA 65 CO -0.00 -0.48 0.92 0.20 0.00 0.00 0.00 175.76 176.39 1bh3 s GLY 66 N -3.36 1.58 0.00 0.00 0.00 -1.26 -3.99 107.32 100.29 1bh3 s GLY 66 Ca 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1bh3 s GLY 66 CO 0.16 -0.17 0.00 1.16 0.00 0.00 0.00 173.10 174.25 1bh3 n ASN 67 N -2.56 0.00 -4.87 1.64 6.94 -0.68 -4.37 115.26 111.36 1bh3 n ASN 67 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.25 1bh3 n ASN 67 Cb 0.56 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.92 1bh3 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bh3 s ALA 68 N -2.85 3.71 0.74 -2.53 0.00 -1.26 -4.85 121.76 114.71 1bh3 s ALA 68 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1bh3 s ALA 68 Cb 0.00 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1bh3 s ALA 68 CO 0.00 0.56 1.08 0.00 0.00 0.00 0.00 175.76 177.40 1bh3 s ALA 69 N -1.46 2.46 -0.03 0.00 0.00 -1.26 -4.67 121.76 116.81 1bh3 s ALA 69 Ca 0.35 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1bh3 s ALA 69 Cb -0.14 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 1bh3 s ALA 69 CO 0.19 -1.48 -0.15 -1.14 0.00 0.00 0.00 175.76 173.19 1bh3 s GLN 70 N -5.05 1.39 0.06 0.00 0.74 -1.09 -1.47 119.66 114.24 1bh3 s GLN 70 Ca 0.59 -0.52 0.08 0.00 0.05 0.00 0.00 55.36 55.56 1bh3 s GLN 70 Cb -0.15 -1.27 -0.03 0.00 1.10 0.00 0.00 33.01 32.66 1bh3 s GLN 70 CO 0.55 0.25 -0.21 -0.06 -0.55 0.00 0.00 175.29 175.27 1bh3 s PHE 71 N -0.07 1.82 0.14 1.67 0.40 -0.35 -0.91 117.98 120.67 1bh3 s PHE 71 Ca -0.00 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1bh3 s PHE 71 Cb -0.09 -1.06 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1bh3 s PHE 71 CO 0.01 0.13 0.31 1.67 0.70 0.00 0.00 175.22 178.04 1bh3 s TRP 72 N -0.90 0.11 -0.04 0.36 -2.14 0.00 -0.44 118.94 115.89 1bh3 s TRP 72 Ca 0.07 -0.49 -0.00 0.00 2.66 0.00 0.00 56.10 58.35 1bh3 s TRP 72 Cb -0.09 0.08 0.03 0.00 -3.10 0.00 0.00 33.47 30.38 1bh3 s TRP 72 CO 0.03 -0.69 -0.00 0.99 -2.66 0.00 0.00 176.95 174.61 1bh3 s THR 73 N -3.89 0.27 -0.03 0.66 2.01 -0.48 -0.91 115.64 113.28 1bh3 s THR 73 Ca 0.09 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1bh3 s THR 73 Cb 0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1bh3 s THR 73 CO -0.06 0.19 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.37 1bh3 s SER 74 N 1.35 2.88 -0.30 3.53 0.01 -0.44 -0.43 113.70 120.31 1bh3 s SER 74 Ca -0.05 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 1bh3 s SER 74 Cb -0.13 -0.43 0.14 0.00 0.21 0.00 0.00 66.02 65.81 1bh3 s SER 74 CO -0.02 0.29 0.63 -0.47 0.41 0.00 0.00 173.24 174.07 1bh3 s TYR 75 N -0.47 -1.36 -1.27 2.43 5.04 0.14 -1.26 117.35 120.59 1bh3 s TYR 75 Ca 0.06 2.22 -0.02 0.00 -2.44 0.00 0.00 57.07 56.89 1bh3 s TYR 75 Cb -0.10 0.75 -0.00 0.00 0.35 0.00 0.00 41.96 42.96 1bh3 s TYR 75 CO 0.00 -0.69 0.76 0.09 -1.34 0.00 0.00 175.55 174.37 1bh3 n ASN 76 N 5.44 -1.83 0.00 4.32 4.13 -1.26 -1.79 115.26 124.27 1bh3 n ASN 76 Ca -0.10 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1bh3 n ASN 76 Cb 0.49 -4.23 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 1bh3 n ASN 76 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bh3 n GLY 77 N -1.50 2.72 3.72 7.41 0.00 -1.26 -5.01 105.19 111.27 1bh3 n GLY 77 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1bh3 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bh3 s VAL 78 N -2.97 4.99 -0.11 1.61 1.01 -0.74 -3.43 120.40 120.76 1bh3 s VAL 78 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1bh3 s VAL 78 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1bh3 s VAL 78 CO 0.00 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 174.60 1bh3 s THR 79 N -0.16 1.38 -0.15 3.92 2.01 -0.65 -0.69 115.64 121.31 1bh3 s THR 79 Ca 0.08 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1bh3 s THR 79 Cb -0.12 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1bh3 s THR 79 CO 0.01 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 1bh3 s VAL 80 N 1.23 3.95 0.11 3.82 1.01 0.43 -1.48 120.40 129.46 1bh3 s VAL 80 Ca -0.02 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1bh3 s VAL 80 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1bh3 s VAL 80 CO -0.05 0.50 -0.20 -0.94 0.00 0.00 0.00 175.10 174.41 1bh3 s SER 81 N 0.28 2.52 0.02 3.32 1.04 0.13 -1.38 113.70 119.63 1bh3 s SER 81 Ca -0.03 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1bh3 s SER 81 Cb -0.14 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1bh3 s SER 81 CO 0.03 0.03 -0.03 -0.69 0.98 0.00 0.00 173.24 173.55 1bh3 s VAL 82 N -1.36 0.19 0.00 5.02 1.01 0.42 -0.68 120.40 125.00 1bh3 s VAL 82 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1bh3 s VAL 82 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1bh3 s VAL 82 CO 0.05 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1bh3 n GLY 83 N 1.97 0.98 3.43 4.51 0.00 -0.48 -1.21 105.19 114.38 1bh3 n GLY 83 Ca -0.21 -1.01 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 1bh3 n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bh3 s ASN 84 N -4.00 6.94 0.47 1.61 2.47 -0.54 -0.63 114.94 121.26 1bh3 s ASN 84 Ca 0.00 -2.76 -0.06 0.00 0.42 0.00 0.00 52.86 50.46 1bh3 s ASN 84 Cb 0.00 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1bh3 s ASN 84 CO 0.00 -0.76 0.78 0.68 -3.72 0.00 0.00 177.10 174.08 1bh3 s VAL 85 N 1.36 4.90 0.07 -5.21 -7.23 -1.26 -4.52 120.40 108.50 1bh3 s VAL 85 Ca 0.35 0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.45 1bh3 s VAL 85 Cb -0.05 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 1bh3 s VAL 85 CO -0.05 -0.81 1.09 -1.81 -0.31 0.00 0.00 175.10 173.22 1bh3 s ASP 86 N -3.99 7.24 0.27 4.85 1.01 -1.26 -3.01 116.67 121.77 1bh3 s ASP 86 Ca 0.48 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.66 1bh3 s ASP 86 Cb -0.10 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1bh3 s ASP 86 CO 0.43 -0.33 0.43 0.42 0.21 0.00 0.00 175.17 176.33 1bh3 s THR 87 N 0.74 5.20 0.18 -1.27 -4.23 -1.26 -4.84 115.64 110.16 1bh3 s THR 87 Ca 0.54 -0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 60.22 1bh3 s THR 87 Cb -0.26 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 69.82 1bh3 s THR 87 CO 0.30 -0.39 1.82 0.00 -0.54 0.00 0.00 174.62 175.81 1bh3 h ALA 88 N 1.16 0.75 0.00 3.99 0.00 -1.86 0.28 119.26 123.58 1bh3 h ALA 88 Ca -0.50 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1bh3 h ALA 88 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bh3 h ALA 88 CO 0.62 0.23 -0.39 0.35 0.00 0.00 0.00 179.25 180.07 1bh3 h PHE 89 N 0.80 0.00 0.00 0.00 3.57 -1.91 -2.02 116.94 117.39 1bh3 h PHE 89 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1bh3 h PHE 89 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1bh3 h PHE 89 CO -0.02 0.39 -0.54 0.22 -2.23 0.00 0.00 178.31 176.13 1bh3 h ASP 90 N 0.00 0.00 0.00 0.41 3.58 -1.77 -3.39 116.42 115.25 1bh3 h ASP 90 Ca -0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1bh3 h ASP 90 Cb 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1bh3 h ASP 90 CO 0.05 0.05 -1.72 -1.20 -2.88 0.00 0.00 179.24 173.54 1bh3 n SER 91 N -2.40 0.48 -4.54 2.28 7.64 0.06 -4.96 113.62 112.18 1bh3 n SER 91 Ca 0.03 -0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.37 1bh3 n SER 91 Cb 0.48 1.74 0.11 0.00 -1.01 0.00 0.00 64.21 65.52 1bh3 n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1bh3 n VAL 92 N -2.05 1.30 -1.69 0.44 0.24 -1.07 -4.99 118.33 110.51 1bh3 n VAL 92 Ca -0.02 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 1bh3 n VAL 92 Cb 0.48 -0.89 0.07 0.00 -1.47 0.00 0.00 33.84 32.04 1bh3 n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bh3 s ALA 93 N -2.16 2.51 0.00 2.33 0.00 -1.26 -4.15 121.76 119.03 1bh3 s ALA 93 Ca 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1bh3 s ALA 93 Cb -0.28 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1bh3 s ALA 93 CO 0.58 -1.50 0.00 1.28 0.00 0.00 0.00 175.76 176.12 1bh3 n LEU 94 N -3.27 0.00 0.30 0.00 4.77 -1.26 -4.81 117.00 112.73 1bh3 n LEU 94 Ca 0.07 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.23 1bh3 n LEU 94 Cb 0.57 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.56 1bh3 n LEU 94 CO 0.57 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.69 1bh3 h THR 95 N 0.00 0.21 -0.20 -5.08 1.03 -1.96 -2.21 112.91 104.70 1bh3 h THR 95 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1bh3 h THR 95 Cb 0.00 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1bh3 h THR 95 CO 0.00 0.04 0.00 -1.22 -0.01 0.00 0.00 175.52 174.33 1bh3 n TYR 96 N -3.30 0.36 1.29 0.00 4.01 -1.26 -4.66 117.16 113.60 1bh3 n TYR 96 Ca -0.02 -0.62 0.08 0.00 -0.16 0.00 0.00 57.90 57.19 1bh3 n TYR 96 Cb 0.19 -0.10 0.49 0.00 -0.31 0.00 0.00 39.34 39.62 1bh3 n TYR 96 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1bh3 n ASP 97 N -0.16 0.00 -0.20 7.72 9.92 -0.83 -1.99 116.55 131.01 1bh3 n ASP 97 Ca 0.10 -0.77 0.12 0.00 -0.53 0.00 0.00 54.79 53.71 1bh3 n ASP 97 Cb 0.48 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.16 1bh3 n ASP 97 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1bh3 n SER 98 N -0.90 1.09 -4.66 -2.24 3.41 -1.26 -4.94 113.62 104.12 1bh3 n SER 98 Ca 0.12 -0.87 -0.39 0.00 -0.26 0.00 0.00 58.87 57.47 1bh3 n SER 98 Cb 0.06 0.35 0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1bh3 n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bh3 n GLU 99 N -0.85 1.37 -4.00 4.33 1.02 -0.84 -4.83 120.64 116.84 1bh3 n GLU 99 Ca 0.09 0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 1bh3 n GLU 99 Cb 0.37 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 1bh3 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bh3 s MET 100 N -2.50 2.00 0.02 3.49 0.23 -0.50 -4.84 119.30 117.20 1bh3 s MET 100 Ca 0.69 -1.64 0.00 0.00 -1.03 0.00 0.00 55.69 53.71 1bh3 s MET 100 Cb -0.47 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1bh3 s MET 100 CO 0.52 -0.86 0.00 0.41 -2.03 0.00 0.00 175.02 173.06 1bh3 n GLY 101 N -0.55 -1.90 0.10 3.16 0.00 -1.25 -1.29 105.19 103.46 1bh3 n GLY 101 Ca -0.02 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.62 1bh3 n GLY 101 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bh3 n TYR 102 N -2.43 0.61 -0.66 1.61 4.11 -1.25 -1.88 117.16 117.28 1bh3 n TYR 102 Ca -0.00 0.24 0.08 0.00 -0.00 0.00 0.00 57.90 58.22 1bh3 n TYR 102 Cb 0.03 -0.88 0.28 0.00 -0.00 0.00 0.00 39.34 38.77 1bh3 n TYR 102 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1bh3 n GLU 103 N -2.05 3.35 -3.97 -3.48 1.02 -1.26 -4.90 120.64 109.34 1bh3 n GLU 103 Ca 0.03 -2.69 -0.38 0.00 -0.02 0.00 0.00 57.16 54.09 1bh3 n GLU 103 Cb 0.23 -1.75 0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1bh3 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bh3 n ALA 104 N 0.39 -2.70 -2.49 0.62 0.00 -0.79 -4.97 120.51 110.57 1bh3 n ALA 104 Ca 0.21 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 1bh3 n ALA 104 Cb 0.80 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 1bh3 n ALA 104 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bh3 s SER 105 N -3.32 3.72 -0.28 0.00 1.04 -0.41 -4.63 113.70 109.82 1bh3 s SER 105 Ca 0.30 -0.99 -0.18 0.00 0.48 0.00 0.00 55.95 55.56 1bh3 s SER 105 Cb -0.17 -0.37 0.12 0.00 0.10 0.00 0.00 66.02 65.70 1bh3 s SER 105 CO 0.94 0.02 0.89 -0.55 0.98 0.00 0.00 173.24 175.53 1bh3 s SER 106 N -3.54 -0.64 0.32 7.02 0.15 -1.26 -1.41 113.70 114.35 1bh3 s SER 106 Ca 0.30 1.06 0.26 0.00 0.70 0.00 0.00 55.95 58.27 1bh3 s SER 106 Cb -0.05 1.22 1.03 0.00 -1.71 0.00 0.00 66.02 66.50 1bh3 s SER 106 CO 0.16 -0.17 1.78 -0.26 1.20 0.00 0.00 173.24 175.94 1bh3 h PHE 107 N 5.91 0.00 0.00 3.44 0.04 -1.94 -2.53 116.94 121.85 1bh3 h PHE 107 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1bh3 h PHE 107 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1bh3 h PHE 107 CO 0.15 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1bh3 n GLY 108 N 0.19 -1.09 3.80 -1.45 0.00 -1.26 -4.79 105.19 100.61 1bh3 n GLY 108 Ca 0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1bh3 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bh3 s ASP 109 N -2.43 5.41 0.26 1.61 1.01 -0.96 -4.78 116.67 116.79 1bh3 s ASP 109 Ca 0.29 1.75 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 1bh3 s ASP 109 Cb 0.18 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.45 1bh3 s ASP 109 CO 0.38 -1.42 1.14 0.00 0.21 0.00 0.00 175.17 175.48 1bh3 n ALA 110 N -2.68 0.02 -1.20 5.23 0.00 -1.26 -4.89 120.51 115.73 1bh3 n ALA 110 Ca 0.08 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1bh3 n ALA 110 Cb 0.53 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 17.96 1bh3 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bh3 n GLN 111 N 1.15 2.42 -4.53 0.00 1.13 -1.26 -4.95 117.38 111.35 1bh3 n GLN 111 Ca 0.11 -2.77 -0.29 0.00 -1.94 0.00 0.00 57.00 52.10 1bh3 n GLN 111 Cb 0.31 -2.09 -0.08 0.00 0.11 0.00 0.00 30.24 28.49 1bh3 n GLN 111 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1bh3 s SER 112 N -1.23 4.13 -0.15 1.08 1.04 -1.26 -4.76 113.70 112.55 1bh3 s SER 112 Ca 0.55 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 1bh3 s SER 112 Cb 0.43 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1bh3 s SER 112 CO -0.01 -0.68 -0.02 -0.44 0.98 0.00 0.00 173.24 173.07 1bh3 s SER 113 N -3.86 4.97 0.05 7.02 0.01 -1.26 -5.10 113.70 115.53 1bh3 s SER 113 Ca 0.24 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 1bh3 s SER 113 Cb 0.05 -1.77 0.07 0.00 0.21 0.00 0.00 66.02 64.58 1bh3 s SER 113 CO 0.13 0.20 0.63 0.72 0.41 0.00 0.00 173.24 175.32 1bh3 s PHE 114 N 0.21 -0.58 0.57 2.43 -0.12 -1.26 -4.08 117.98 115.14 1bh3 s PHE 114 Ca -0.01 0.72 -0.17 0.00 -0.05 0.00 0.00 56.93 57.41 1bh3 s PHE 114 Cb -0.14 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1bh3 s PHE 114 CO 0.02 -0.71 1.08 -0.06 -0.05 0.00 0.00 175.22 175.50 1bh3 s PHE 115 N -2.40 2.86 0.23 3.49 0.08 -1.26 -4.74 117.98 116.24 1bh3 s PHE 115 Ca -0.05 1.54 -0.18 0.00 0.12 0.00 0.00 56.93 58.35 1bh3 s PHE 115 Cb -0.00 -3.10 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 1bh3 s PHE 115 CO -0.01 -1.24 0.59 -1.59 -0.10 0.00 0.00 175.22 172.87 1bh3 s LYS 116 N -3.73 1.54 0.11 0.44 -2.85 -1.26 -4.73 119.74 109.26 1bh3 s LYS 116 Ca 0.67 -0.94 -0.35 0.00 -1.00 0.00 0.00 55.97 54.34 1bh3 s LYS 116 Cb -0.18 0.55 -0.17 0.00 -2.06 0.00 0.00 37.83 35.97 1bh3 s LYS 116 CO 0.32 -0.68 1.19 0.98 0.10 0.00 0.00 175.35 177.26 1bh3 n TYR 117 N -0.39 1.18 -3.34 1.78 9.36 -1.16 -4.90 117.16 119.68 1bh3 n TYR 117 Ca -0.07 0.74 -0.41 0.00 3.32 0.00 0.00 57.90 61.48 1bh3 n TYR 117 Cb 0.61 -2.25 -0.09 0.00 -0.63 0.00 0.00 39.34 36.98 1bh3 n TYR 117 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1bh3 s ASN 118 N 0.14 6.21 0.52 2.98 0.01 -1.26 -4.95 114.94 118.60 1bh3 s ASN 118 Ca 0.80 -0.30 0.31 0.00 -0.71 0.00 0.00 52.86 52.97 1bh3 s ASN 118 Cb -0.97 -2.22 1.13 0.00 0.41 0.00 0.00 41.25 39.60 1bh3 s ASN 118 CO 0.51 -0.43 1.90 0.28 -1.51 0.00 0.00 177.10 177.84 1bh3 h SER 119 N 8.53 0.00 -5.69 -1.22 0.02 -1.98 -3.42 113.55 109.80 1bh3 h SER 119 Ca -0.28 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.35 1bh3 h SER 119 Cb 1.13 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 1bh3 h SER 119 CO 0.74 0.01 -0.58 -0.54 -1.14 0.00 0.00 176.83 175.32 1bh3 s LYS 120 N -3.57 1.37 0.97 3.45 1.02 -1.26 -4.49 119.74 117.24 1bh3 s LYS 120 Ca 0.02 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.15 1bh3 s LYS 120 Cb 0.08 0.29 0.17 0.00 -0.52 0.00 0.00 37.83 37.85 1bh3 s LYS 120 CO 0.57 -0.47 1.09 1.52 -0.92 0.00 0.00 175.35 177.14 1bh3 s TYR 121 N -3.94 2.11 -0.19 3.18 -0.85 -1.26 -4.72 117.35 111.68 1bh3 s TYR 121 Ca 0.39 1.16 -0.02 0.00 -0.52 0.00 0.00 57.07 58.08 1bh3 s TYR 121 Cb 0.06 -3.20 0.06 0.00 0.38 0.00 0.00 41.96 39.25 1bh3 s TYR 121 CO 0.17 -2.76 0.00 0.34 -1.52 0.00 0.00 175.55 171.78 1bh3 s ASP 122 N -3.32 2.98 0.56 -0.18 -1.08 -1.26 -5.01 116.67 109.36 1bh3 s ASP 122 Ca 0.65 -0.82 0.32 0.00 -0.52 0.00 0.00 52.55 52.18 1bh3 s ASP 122 Cb -0.19 -0.74 1.65 0.00 -1.46 0.00 0.00 42.92 42.17 1bh3 s ASP 122 CO 0.58 -0.27 2.13 0.00 0.52 0.00 0.00 175.17 178.13 1bh3 h ALA 123 N 8.18 1.20 0.00 3.66 0.00 -2.04 -2.51 119.26 127.74 1bh3 h ALA 123 Ca -0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1bh3 h ALA 123 Cb 1.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bh3 h ALA 123 CO 0.35 0.09 -0.03 0.66 0.00 0.00 0.00 179.25 180.32 1bh3 h SER 124 N 0.00 0.00 0.00 0.00 4.64 -2.05 -3.46 113.55 112.68 1bh3 h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bh3 h SER 124 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1bh3 h SER 124 CO 0.01 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1bh3 n GLY 125 N -0.31 0.76 0.20 -0.77 0.00 -0.94 -4.93 105.19 99.20 1bh3 n GLY 125 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1bh3 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bh3 h ALA 126 N 0.00 1.43 -0.43 4.61 0.00 -1.89 -2.87 119.26 120.10 1bh3 h ALA 126 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bh3 h ALA 126 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bh3 h ALA 126 CO 0.00 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1bh3 n LEU 127 N -4.07 2.97 -0.11 0.00 4.77 -1.26 -4.66 117.00 114.64 1bh3 n LEU 127 Ca -0.02 -1.37 0.08 0.00 -0.03 0.00 0.00 56.01 54.67 1bh3 n LEU 127 Cb 0.35 -0.28 0.42 0.00 -2.33 0.00 0.00 43.42 41.57 1bh3 n LEU 127 CO 0.37 0.68 1.20 0.44 -1.33 0.00 0.00 177.39 178.75 1bh3 h ASP 128 N 3.57 0.53 -0.02 -1.43 5.19 -1.84 -2.61 116.42 119.81 1bh3 h ASP 128 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bh3 h ASP 128 Cb 0.80 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1bh3 h ASP 128 CO 0.00 0.34 -0.12 0.59 -3.12 0.00 0.00 179.24 176.93 1bh3 n ASN 129 N -4.48 2.28 -4.71 6.45 3.02 -1.26 -5.01 115.26 111.55 1bh3 n ASN 129 Ca 0.09 -3.29 -0.42 0.00 -0.03 0.00 0.00 54.58 50.93 1bh3 n ASN 129 Cb 0.25 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 1bh3 n ASN 129 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bh3 s TYR 130 N -2.97 3.37 -0.09 3.10 6.14 -0.99 -1.41 117.35 124.51 1bh3 s TYR 130 Ca 0.34 1.18 -0.06 0.00 0.64 0.00 0.00 57.07 59.17 1bh3 s TYR 130 Cb 0.31 -3.51 0.04 0.00 0.42 0.00 0.00 41.96 39.21 1bh3 s TYR 130 CO 0.01 -1.67 0.22 1.21 0.64 0.00 0.00 175.55 175.97 1bh3 s ASN 131 N 1.07 -0.23 0.33 4.32 2.47 -0.60 -4.83 114.94 117.47 1bh3 s ASN 131 Ca 0.61 0.47 0.04 0.00 0.42 0.00 0.00 52.86 54.40 1bh3 s ASN 131 Cb -0.32 0.39 -0.06 0.00 -1.45 0.00 0.00 41.25 39.81 1bh3 s ASN 131 CO 0.30 -0.13 0.05 -0.83 -3.72 0.00 0.00 177.10 172.76 1bh3 s GLY 132 N 0.85 2.09 -0.03 1.21 0.00 0.20 -0.92 107.32 110.74 1bh3 s GLY 132 Ca -0.06 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.61 1bh3 s GLY 132 CO -0.05 -1.84 -0.09 -0.42 0.00 0.00 0.00 173.10 170.70 1bh3 s ILE 133 N -3.24 0.79 0.06 0.90 -1.09 0.41 -1.38 121.20 117.66 1bh3 s ILE 133 Ca 0.36 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1bh3 s ILE 133 Cb 0.09 -0.71 -0.03 0.00 -1.58 0.00 0.00 42.46 40.23 1bh3 s ILE 133 CO 0.16 0.25 -0.06 0.00 -1.23 0.00 0.00 174.94 174.05 1bh3 s ALA 134 N 0.20 0.69 -0.04 9.38 0.00 0.14 -1.01 121.76 131.13 1bh3 s ALA 134 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1bh3 s ALA 134 Cb -0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1bh3 s ALA 134 CO 0.01 -0.16 -0.02 0.08 0.00 0.00 0.00 175.76 175.67 1bh3 s VAL 135 N -2.60 0.37 0.21 0.00 1.01 -0.15 -0.70 120.40 118.55 1bh3 s VAL 135 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.10 1bh3 s VAL 135 Cb -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1bh3 s VAL 135 CO -0.03 0.20 -0.21 0.42 0.00 0.00 0.00 175.10 175.48 1bh3 s THR 136 N 1.18 2.25 -0.24 3.92 -4.23 -0.55 -0.85 115.64 117.12 1bh3 s THR 136 Ca -0.07 -2.13 -0.10 0.00 -1.18 0.00 0.00 61.69 58.21 1bh3 s THR 136 Cb -0.14 -2.12 0.10 0.00 1.34 0.00 0.00 72.50 71.69 1bh3 s THR 136 CO -0.02 -0.27 0.54 -0.47 -0.54 0.00 0.00 174.62 173.87 1bh3 s TYR 137 N -2.06 -1.01 -0.84 3.99 5.04 -0.74 -1.63 117.35 120.09 1bh3 s TYR 137 Ca 0.23 1.88 -0.15 0.00 -2.44 0.00 0.00 57.07 56.59 1bh3 s TYR 137 Cb -0.06 0.53 0.21 0.00 0.35 0.00 0.00 41.96 42.98 1bh3 s TYR 137 CO 0.11 -0.54 0.81 -1.12 -1.34 0.00 0.00 175.55 173.47 1bh3 s SER 138 N 2.44 6.74 -0.72 4.32 0.01 -1.22 -0.58 113.70 124.69 1bh3 s SER 138 Ca -0.05 -2.60 -0.17 0.00 1.31 0.00 0.00 55.95 54.44 1bh3 s SER 138 Cb -0.11 -2.24 0.14 0.00 0.21 0.00 0.00 66.02 64.03 1bh3 s SER 138 CO -0.16 -0.64 0.79 -0.51 0.41 0.00 0.00 173.24 173.13 1bh3 s ILE 139 N 0.52 5.06 0.00 1.44 2.07 -1.00 -4.92 121.20 124.36 1bh3 s ILE 139 Ca 0.20 -1.57 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 1bh3 s ILE 139 Cb -0.10 -4.53 0.00 0.00 0.13 0.00 0.00 42.46 37.96 1bh3 s ILE 139 CO -0.09 -1.16 0.00 -1.20 -1.91 0.00 0.00 174.94 170.58 1bh3 n SER 140 N 5.62 -0.11 0.00 4.50 7.64 -1.26 -3.18 113.62 126.84 1bh3 n SER 140 Ca 0.03 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.94 1bh3 n SER 140 Cb 0.45 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.79 1bh3 n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bh3 n GLY 141 N 0.00 -0.94 3.77 0.23 0.00 -1.26 -4.75 105.19 102.24 1bh3 n GLY 141 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1bh3 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bh3 s VAL 142 N -2.00 4.41 -0.07 1.61 1.01 -1.19 -3.38 120.40 120.78 1bh3 s VAL 142 Ca 0.07 1.75 0.03 0.00 0.00 0.00 0.00 61.98 63.83 1bh3 s VAL 142 Cb 0.03 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1bh3 s VAL 142 CO 0.05 0.48 -0.17 0.20 0.00 0.00 0.00 175.10 175.67 1bh3 s ASN 143 N -0.88 2.24 -0.05 3.32 0.01 -0.16 -2.39 114.94 117.03 1bh3 s ASN 143 Ca 0.37 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1bh3 s ASN 143 Cb -0.23 -0.95 -0.02 0.00 0.41 0.00 0.00 41.25 40.46 1bh3 s ASN 143 CO 0.26 0.10 -0.17 -0.76 -1.51 0.00 0.00 177.10 175.02 1bh3 s LEU 144 N 0.44 2.55 -0.03 0.60 1.43 0.25 -1.67 118.68 122.26 1bh3 s LEU 144 Ca -0.14 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1bh3 s LEU 144 Cb -0.16 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1bh3 s LEU 144 CO 0.05 0.32 -0.09 -0.31 0.23 0.00 0.00 176.35 176.55 1bh3 s TYR 145 N -0.58 0.97 -0.01 0.29 1.51 -0.38 -1.79 117.35 117.35 1bh3 s TYR 145 Ca 0.08 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1bh3 s TYR 145 Cb -0.11 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1bh3 s TYR 145 CO 0.01 -0.10 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.79 1bh3 s LEU 146 N 0.20 1.82 -0.03 -1.29 1.02 -0.03 -1.91 118.68 118.46 1bh3 s LEU 146 Ca -0.03 -0.09 -0.07 0.00 0.02 0.00 0.00 54.13 53.96 1bh3 s LEU 146 Cb -0.09 -0.29 0.01 0.00 0.02 0.00 0.00 46.19 45.84 1bh3 s LEU 146 CO 0.01 0.03 0.15 -0.94 0.02 0.00 0.00 176.35 175.62 1bh3 s SER 147 N 0.15 -0.06 -0.10 2.29 1.04 -0.38 -0.97 113.70 115.66 1bh3 s SER 147 Ca -0.01 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 1bh3 s SER 147 Cb -0.05 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1bh3 s SER 147 CO -0.00 -0.24 -0.07 -0.47 0.98 0.00 0.00 173.24 173.44 1bh3 s TYR 148 N -0.75 1.34 -0.13 5.02 5.04 -0.18 -0.66 117.35 127.03 1bh3 s TYR 148 Ca -0.08 -0.63 0.02 0.00 -2.44 0.00 0.00 57.07 53.94 1bh3 s TYR 148 Cb -0.05 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.13 1bh3 s TYR 148 CO 0.01 -0.47 -0.17 0.08 -1.34 0.00 0.00 175.55 173.66 1bh3 s VAL 149 N 1.68 1.68 -0.34 3.14 1.01 -0.23 -0.44 120.40 126.89 1bh3 s VAL 149 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1bh3 s VAL 149 Cb -0.13 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1bh3 s VAL 149 CO -0.07 0.48 0.16 -0.62 0.00 0.00 0.00 175.10 175.04 1bh3 s ASP 150 N 1.03 5.52 0.62 3.32 -1.08 -0.09 -1.03 116.67 124.95 1bh3 s ASP 150 Ca -0.04 -0.86 0.39 0.00 -0.52 0.00 0.00 52.55 51.52 1bh3 s ASP 150 Cb -0.15 -1.97 2.02 0.00 -1.46 0.00 0.00 42.92 41.37 1bh3 s ASP 150 CO -0.04 -0.30 2.23 1.55 0.52 0.00 0.00 175.17 179.14 1bh3 h PRO 151 N 8.35 0.00 -1.47 4.34 0.13 -1.82 -1.60 132.00 139.92 1bh3 h PRO 151 Ca -0.28 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 1bh3 h PRO 151 Cb 1.11 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.00 1bh3 h PRO 151 CO 0.63 0.01 -0.59 0.34 -0.23 0.00 0.00 178.00 178.17 1bh3 s ASP 152 N -5.45 -0.24 0.41 1.44 -1.08 -1.25 -3.33 116.67 107.17 1bh3 s ASP 152 Ca -0.03 -1.39 0.29 0.00 -0.52 0.00 0.00 52.55 50.90 1bh3 s ASP 152 Cb 0.12 1.24 1.37 0.00 -1.46 0.00 0.00 42.92 44.18 1bh3 s ASP 152 CO 0.47 -0.19 1.86 0.06 0.52 0.00 0.00 175.17 177.90 1bh3 h GLN 153 N 6.66 0.00 0.00 4.34 3.07 -1.39 -2.95 115.11 124.84 1bh3 h GLN 153 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.69 1bh3 h GLN 153 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.65 1bh3 h GLN 153 CO 0.14 0.00 -0.65 1.79 0.09 0.00 0.00 178.83 180.21 1bh3 h THR 154 N 0.00 0.79 -3.43 1.86 1.35 -1.96 -3.46 112.91 108.06 1bh3 h THR 154 Ca 0.00 -2.15 -0.54 0.00 -0.55 0.00 0.00 66.41 63.16 1bh3 h THR 154 Cb 0.22 2.35 -0.04 0.00 -1.73 0.00 0.00 68.15 68.95 1bh3 h THR 154 CO 0.00 0.45 0.02 -0.69 -0.25 0.00 0.00 175.52 175.05 1bh3 s VAL 155 N -2.96 4.69 0.04 6.82 1.01 -1.12 -4.99 120.40 123.89 1bh3 s VAL 155 Ca 0.03 1.13 -0.38 0.00 0.00 0.00 0.00 61.98 62.76 1bh3 s VAL 155 Cb 0.08 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.44 1bh3 s VAL 155 CO 0.76 0.29 1.17 -0.67 0.00 0.00 0.00 175.10 176.64 1bh3 n ASP 156 N 0.95 0.66 0.24 3.32 -0.08 -1.26 -4.81 116.55 115.57 1bh3 n ASP 156 Ca -0.05 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.53 1bh3 n ASP 156 Cb 0.51 -1.04 0.84 0.00 2.34 0.00 0.00 41.12 43.77 1bh3 n ASP 156 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1bh3 h SER 157 N 3.58 0.00 0.88 1.67 0.02 -1.92 -1.36 113.55 116.42 1bh3 h SER 157 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1bh3 h SER 157 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1bh3 h SER 157 CO 0.70 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 1bh3 n SER 158 N -3.93 0.57 -0.17 3.07 3.41 -1.26 -2.31 113.62 113.00 1bh3 n SER 158 Ca -0.00 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 1bh3 n SER 158 Cb 0.21 -0.74 0.16 0.00 -0.26 0.00 0.00 64.21 63.58 1bh3 n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bh3 n LEU 159 N -2.10 1.05 -4.37 1.04 4.77 -0.51 -4.93 117.00 111.95 1bh3 n LEU 159 Ca 0.03 -0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.43 1bh3 n LEU 159 Cb 0.27 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1bh3 n LEU 159 CO 0.22 0.22 -0.53 0.68 -1.33 0.00 0.00 177.39 176.65 1bh3 s VAL 160 N -2.75 2.08 -0.30 4.08 -7.23 -0.98 -5.07 120.40 110.23 1bh3 s VAL 160 Ca 0.16 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 1bh3 s VAL 160 Cb 0.18 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1bh3 s VAL 160 CO 0.66 -0.10 0.24 -0.89 -0.31 0.00 0.00 175.10 174.70 1bh3 s THR 161 N -1.50 5.28 0.17 5.32 2.01 -1.26 -4.94 115.64 120.72 1bh3 s THR 161 Ca 0.15 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 1bh3 s THR 161 Cb -0.08 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 1bh3 s THR 161 CO 0.07 0.14 0.43 -1.61 -0.69 0.00 0.00 174.62 172.96 1bh3 s GLU 162 N 1.80 3.66 -0.20 4.92 8.01 -1.26 -4.55 118.70 131.08 1bh3 s GLU 162 Ca 0.08 0.00 -0.11 0.00 0.01 0.00 0.00 54.97 54.95 1bh3 s GLU 162 Cb -0.16 -2.79 -0.05 0.00 -4.31 0.00 0.00 34.13 26.82 1bh3 s GLU 162 CO 0.11 0.42 0.18 -2.00 0.01 0.00 0.00 175.26 173.98 1bh3 s GLU 163 N -2.73 4.19 -0.05 1.61 2.12 -0.20 -4.76 118.70 118.88 1bh3 s GLU 163 Ca 0.43 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1bh3 s GLU 163 Cb -0.12 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 1bh3 s GLU 163 CO 0.24 0.24 -0.19 0.12 -0.54 0.00 0.00 175.26 175.12 1bh3 s PHE 164 N 0.52 1.96 0.04 5.30 5.36 -1.09 -1.07 117.98 129.00 1bh3 s PHE 164 Ca 0.10 -0.61 -0.02 0.00 -0.96 0.00 0.00 56.93 55.45 1bh3 s PHE 164 Cb -0.12 -1.31 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1bh3 s PHE 164 CO 0.01 -0.21 -0.00 0.20 -1.46 0.00 0.00 175.22 173.75 1bh3 s GLY 165 N 0.07 0.34 0.04 13.12 0.00 0.16 -1.39 107.32 119.66 1bh3 s GLY 165 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1bh3 s GLY 165 CO 0.03 -1.00 -0.04 -0.26 0.00 0.00 0.00 173.10 171.83 1bh3 s ILE 166 N -2.97 0.27 0.12 0.90 -4.36 -0.53 -1.25 121.20 113.37 1bh3 s ILE 166 Ca -0.02 -1.39 -0.25 0.00 -0.26 0.00 0.00 60.65 58.74 1bh3 s ILE 166 Cb 0.01 -0.94 0.08 0.00 1.25 0.00 0.00 42.46 42.86 1bh3 s ILE 166 CO -0.06 -0.72 0.68 0.00 0.24 0.00 0.00 174.94 175.08 1bh3 s ALA 167 N -2.62 -1.66 -0.10 2.27 0.00 -0.80 -0.63 121.76 118.22 1bh3 s ALA 167 Ca -0.03 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 1bh3 s ALA 167 Cb -0.01 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1bh3 s ALA 167 CO -0.05 -0.75 0.44 0.00 0.00 0.00 0.00 175.76 175.40 1bh3 s ALA 168 N -3.58 -1.10 0.11 0.00 0.00 -0.22 -1.25 121.76 115.71 1bh3 s ALA 168 Ca 0.02 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1bh3 s ALA 168 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1bh3 s ALA 168 CO -0.12 -0.25 -0.08 0.16 0.00 0.00 0.00 175.76 175.47 1bh3 s ASP 169 N -0.52 1.29 -0.17 0.00 1.47 -0.67 -1.03 116.67 117.03 1bh3 s ASP 169 Ca -0.06 -0.99 -0.18 0.00 1.18 0.00 0.00 52.55 52.50 1bh3 s ASP 169 Cb -0.03 0.07 0.05 0.00 -0.34 0.00 0.00 42.92 42.66 1bh3 s ASP 169 CO 0.03 -0.42 0.49 0.86 0.68 0.00 0.00 175.17 176.82 1bh3 s TRP 170 N -3.45 -0.53 -0.07 2.11 -0.00 -0.26 -0.99 118.94 115.76 1bh3 s TRP 170 Ca 0.12 1.27 -0.13 0.00 -0.00 0.00 0.00 56.10 57.36 1bh3 s TRP 170 Cb 0.04 0.19 0.03 0.00 -0.00 0.00 0.00 33.47 33.72 1bh3 s TRP 170 CO -0.03 -0.28 0.31 0.45 -0.00 0.00 0.00 176.95 177.40 1bh3 s SER 171 N 0.13 -0.25 0.00 5.86 0.15 -1.22 -1.27 113.70 117.10 1bh3 s SER 171 Ca -0.01 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1bh3 s SER 171 Cb -0.03 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1bh3 s SER 171 CO 0.01 -0.28 0.00 -0.46 1.20 0.00 0.00 173.24 173.71 1bh3 n ASN 172 N 2.09 0.27 0.15 5.45 0.23 -0.94 -4.81 115.26 117.70 1bh3 n ASN 172 Ca -0.17 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.91 1bh3 n ASN 172 Cb 0.57 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.37 1bh3 n ASN 172 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bh3 h ASP 173 N 0.00 0.00 0.00 0.53 5.19 -2.01 -3.40 116.42 116.73 1bh3 h ASP 173 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bh3 h ASP 173 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1bh3 h ASP 173 CO 0.00 0.48 -0.97 1.15 -3.12 0.00 0.00 179.24 176.78 1bh3 n MET 174 N -3.29 1.05 -4.72 3.56 0.00 -1.26 -4.78 117.12 107.68 1bh3 n MET 174 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.41 1bh3 n MET 174 Cb 0.69 -0.99 -0.13 0.00 0.00 0.00 0.00 33.22 32.79 1bh3 n MET 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1bh3 s ILE 175 N -1.95 2.65 0.01 3.17 1.01 -1.26 0.92 121.20 125.75 1bh3 s ILE 175 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.45 1bh3 s ILE 175 Cb 0.00 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1bh3 s ILE 175 CO 0.00 0.35 -0.07 -0.44 0.00 0.00 0.00 174.94 174.77 1bh3 s SER 176 N -1.38 0.85 0.02 3.58 0.01 -0.67 -2.22 113.70 113.89 1bh3 s SER 176 Ca 0.14 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1bh3 s SER 176 Cb -0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1bh3 s SER 176 CO 0.04 -0.01 -0.11 -0.76 0.41 0.00 0.00 173.24 172.82 1bh3 s LEU 177 N -0.64 2.12 -0.02 2.44 1.43 -0.40 -1.42 118.68 122.19 1bh3 s LEU 177 Ca -0.01 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 1bh3 s LEU 177 Cb -0.05 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.74 1bh3 s LEU 177 CO 0.00 0.03 0.41 0.00 0.23 0.00 0.00 176.35 177.02 1bh3 s ALA 178 N -0.65 -1.06 -0.00 4.21 0.00 -0.47 -1.10 121.76 122.69 1bh3 s ALA 178 Ca 0.01 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1bh3 s ALA 178 Cb -0.06 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1bh3 s ALA 178 CO 0.00 -0.30 0.38 0.00 0.00 0.00 0.00 175.76 175.84 1bh3 s ALA 179 N -1.32 -0.94 0.02 0.00 0.00 -0.20 -0.54 121.76 118.79 1bh3 s ALA 179 Ca -0.13 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1bh3 s ALA 179 Cb -0.04 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1bh3 s ALA 179 CO 0.06 -0.33 0.38 0.00 0.00 0.00 0.00 175.76 175.86 1bh3 s ALA 180 N -1.68 -0.92 -0.08 0.00 0.00 -0.65 -1.06 121.76 117.37 1bh3 s ALA 180 Ca -0.11 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1bh3 s ALA 180 Cb -0.03 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1bh3 s ALA 180 CO 0.03 -0.39 0.22 -0.47 0.00 0.00 0.00 175.76 175.14 1bh3 s TYR 181 N -2.15 -0.23 -0.05 0.00 5.04 0.20 -0.79 117.35 119.36 1bh3 s TYR 181 Ca -0.07 0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 55.10 1bh3 s TYR 181 Cb -0.02 0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.41 1bh3 s TYR 181 CO -0.00 -0.12 0.11 0.99 -1.34 0.00 0.00 175.55 175.19 1bh3 s THR 182 N 0.08 -0.09 -0.07 4.34 2.01 -0.53 -1.46 115.64 119.93 1bh3 s THR 182 Ca -0.00 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 1bh3 s THR 182 Cb -0.02 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 1bh3 s THR 182 CO 0.00 0.10 0.26 0.42 -0.69 0.00 0.00 174.62 174.71 1bh3 s THR 183 N 1.37 5.30 -1.42 -0.82 -4.23 -0.49 -0.94 115.64 114.41 1bh3 s THR 183 Ca -0.07 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 1bh3 s THR 183 Cb -0.12 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1bh3 s THR 183 CO -0.05 0.60 1.07 0.47 -0.54 0.00 0.00 174.62 176.18 1bh3 n ASP 184 N 1.91 -5.27 -4.65 3.99 8.00 -1.19 -2.67 116.55 116.66 1bh3 n ASP 184 Ca -0.17 -0.65 -0.48 0.00 0.71 0.00 0.00 54.79 54.19 1bh3 n ASP 184 Cb 0.54 -4.54 -0.05 0.00 -0.02 0.00 0.00 41.12 37.05 1bh3 n ASP 184 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bh3 n ALA 185 N -4.80 0.59 -1.18 2.24 0.00 -0.46 -1.16 120.51 115.74 1bh3 n ALA 185 Ca -0.01 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 1bh3 n ALA 185 Cb 0.56 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1bh3 n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bh3 n GLY 186 N 3.26 0.83 2.21 0.00 0.00 -1.26 -2.04 105.19 108.19 1bh3 n GLY 186 Ca 0.18 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1bh3 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bh3 n GLY 187 N -1.90 0.88 3.47 -0.02 0.00 -0.31 -4.90 105.19 102.41 1bh3 n GLY 187 Ca -0.06 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1bh3 n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bh3 s ILE 188 N -2.22 4.66 0.18 -0.61 1.01 -0.86 -4.75 121.20 118.61 1bh3 s ILE 188 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 1bh3 s ILE 188 Cb 0.00 -3.31 -0.15 0.00 0.01 0.00 0.00 42.46 39.01 1bh3 s ILE 188 CO 0.00 0.15 1.38 0.52 0.00 0.00 0.00 174.94 176.99 1bh3 n VAL 189 N 4.99 0.57 -1.04 2.92 0.31 -1.26 -1.47 118.33 123.34 1bh3 n VAL 189 Ca -0.14 -0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.03 1bh3 n VAL 189 Cb 0.50 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 1bh3 n VAL 189 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1bh3 n ASP 190 N 2.47 -4.93 -4.14 4.52 8.00 -1.26 -4.92 116.55 116.29 1bh3 n ASP 190 Ca 0.15 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1bh3 n ASP 190 Cb 0.27 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.83 1bh3 n ASP 190 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bh3 n ASN 191 N -0.61 4.87 -4.69 -2.24 5.15 -0.54 -4.61 115.26 112.59 1bh3 n ASN 191 Ca -0.01 -2.99 -0.38 0.00 -0.60 0.00 0.00 54.58 50.60 1bh3 n ASN 191 Cb 0.34 -1.59 -0.07 0.00 -0.53 0.00 0.00 39.78 37.93 1bh3 n ASN 191 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1bh3 s ASP 192 N 2.48 6.48 0.21 1.20 1.01 -1.26 -1.36 116.67 125.43 1bh3 s ASP 192 Ca 0.45 0.57 0.09 0.00 0.71 0.00 0.00 52.55 54.36 1bh3 s ASP 192 Cb 0.06 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 1bh3 s ASP 192 CO -0.00 -0.04 -0.17 0.27 0.21 0.00 0.00 175.17 175.44 1bh3 s ILE 193 N 1.08 1.92 0.08 0.77 -4.36 -0.12 -3.32 121.20 117.26 1bh3 s ILE 193 Ca 0.20 -2.18 -0.14 0.00 -0.26 0.00 0.00 60.65 58.28 1bh3 s ILE 193 Cb -0.15 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1bh3 s ILE 193 CO 0.08 -0.48 0.32 0.00 0.24 0.00 0.00 174.94 175.10 1bh3 s ALA 194 N -2.62 -0.68 -0.01 2.27 0.00 -0.84 -1.46 121.76 118.42 1bh3 s ALA 194 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1bh3 s ALA 194 Cb -0.03 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1bh3 s ALA 194 CO 0.09 -0.52 0.04 0.12 0.00 0.00 0.00 175.76 175.49 1bh3 s PHE 195 N -3.31 -0.03 -0.03 0.00 5.36 0.03 -1.87 117.98 118.13 1bh3 s PHE 195 Ca 0.00 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1bh3 s PHE 195 Cb 0.02 -0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1bh3 s PHE 195 CO -0.08 -0.05 0.01 0.08 -1.46 0.00 0.00 175.22 173.72 1bh3 s VAL 196 N -0.13 0.09 0.08 3.12 1.01 -0.72 -1.64 120.40 122.21 1bh3 s VAL 196 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1bh3 s VAL 196 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1bh3 s VAL 196 CO 0.00 0.13 -0.01 -0.83 0.00 0.00 0.00 175.10 174.39 1bh3 s GLY 197 N 1.08 0.65 -0.02 4.51 0.00 0.30 -0.81 107.32 113.03 1bh3 s GLY 197 Ca -0.09 -1.30 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 1bh3 s GLY 197 CO -0.02 -1.35 0.41 0.00 0.00 0.00 0.00 173.10 172.14 1bh3 s ALA 198 N -3.93 -1.04 0.00 3.20 0.00 -0.65 -1.37 121.76 117.97 1bh3 s ALA 198 Ca 0.12 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1bh3 s ALA 198 Cb 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1bh3 s ALA 198 CO -0.06 -0.29 0.08 0.00 0.00 0.00 0.00 175.76 175.49 1bh3 s ALA 199 N -1.29 -0.17 -0.13 0.00 0.00 -0.51 -0.83 121.76 118.84 1bh3 s ALA 199 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1bh3 s ALA 199 Cb -0.04 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1bh3 s ALA 199 CO 0.06 -0.17 -0.12 -0.47 0.00 0.00 0.00 175.76 175.06 1bh3 s TYR 200 N -1.22 1.87 -1.19 0.00 5.04 0.35 -1.67 117.35 120.55 1bh3 s TYR 200 Ca -0.13 -1.00 -0.15 0.00 -2.44 0.00 0.00 57.07 53.34 1bh3 s TYR 200 Cb -0.07 -1.43 0.14 0.00 0.35 0.00 0.00 41.96 40.95 1bh3 s TYR 200 CO 0.01 -0.59 1.46 0.21 -1.34 0.00 0.00 175.55 175.29 1bh3 s LYS 201 N 1.52 4.00 0.00 4.97 2.36 0.26 -1.61 119.74 131.25 1bh3 s LYS 201 Ca 0.04 -2.34 0.00 0.00 -2.55 0.00 0.00 55.97 51.12 1bh3 s LYS 201 Cb -0.13 -5.15 0.00 0.00 -1.05 0.00 0.00 37.83 31.51 1bh3 s LYS 201 CO -0.09 -1.87 0.46 1.97 1.55 0.00 0.00 175.35 177.37 1bh3 n PHE 202 N 6.36 0.00 0.00 4.03 -1.74 -1.09 -4.79 117.46 120.23 1bh3 n PHE 202 Ca 0.37 -0.14 0.00 0.00 -0.56 0.00 0.00 57.45 57.13 1bh3 n PHE 202 Cb 0.44 -0.12 0.00 0.00 1.52 0.00 0.00 39.48 41.32 1bh3 n PHE 202 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1bh3 n ASN 203 N 0.39 0.00 0.19 5.98 2.85 -1.23 -4.77 115.26 118.67 1bh3 n ASN 203 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1bh3 n ASN 203 Cb 0.23 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.38 1bh3 n ASN 203 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1bh3 h ASP 204 N 0.00 0.00 0.25 1.20 5.19 -1.99 -3.34 116.42 117.72 1bh3 h ASP 204 Ca 0.00 -0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 1bh3 h ASP 204 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1bh3 h ASP 204 CO 0.00 0.00 -1.96 0.00 -3.12 0.00 0.00 179.24 174.16 1bh3 n ALA 205 N -2.12 1.22 -2.54 3.45 0.00 -1.26 -4.98 120.51 114.28 1bh3 n ALA 205 Ca 0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.47 1bh3 n ALA 205 Cb 0.53 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 1bh3 n ALA 205 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bh3 s GLY 206 N -5.47 1.78 -0.11 0.00 0.00 -1.26 -1.40 107.32 100.86 1bh3 s GLY 206 Ca -0.16 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 42.72 1bh3 s GLY 206 CO 0.78 -1.83 0.28 -1.59 0.00 0.00 0.00 173.10 170.74 1bh3 s THR 207 N -2.35 -0.01 0.03 0.90 2.01 -0.59 -2.66 115.64 112.97 1bh3 s THR 207 Ca 0.30 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.42 1bh3 s THR 207 Cb -0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1bh3 s THR 207 CO 0.17 0.02 -0.20 0.68 -0.69 0.00 0.00 174.62 174.60 1bh3 s VAL 208 N 0.59 1.59 0.21 3.82 -7.23 -0.63 -1.85 120.40 116.90 1bh3 s VAL 208 Ca -0.04 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 1bh3 s VAL 208 Cb -0.05 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1bh3 s VAL 208 CO -0.03 0.24 0.38 -0.83 -0.31 0.00 0.00 175.10 174.55 1bh3 s GLY 209 N -1.01 0.56 -0.10 2.32 0.00 -0.19 -0.49 107.32 108.40 1bh3 s GLY 209 Ca 0.07 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 1bh3 s GLY 209 CO 0.01 -0.74 0.23 -2.27 0.00 0.00 0.00 173.10 170.33 1bh3 s LEU 210 N -3.01 0.30 -0.01 0.66 2.96 -0.01 -1.66 118.68 117.91 1bh3 s LEU 210 Ca 0.21 0.50 0.08 0.00 -0.22 0.00 0.00 54.13 54.71 1bh3 s LEU 210 Cb 0.01 0.67 -0.02 0.00 0.50 0.00 0.00 46.19 47.35 1bh3 s LEU 210 CO 0.05 -0.18 -0.26 0.20 -1.32 0.00 0.00 176.35 174.85 1bh3 s ASN 211 N 1.50 3.09 -0.04 3.68 0.01 -0.27 -1.64 114.94 121.27 1bh3 s ASN 211 Ca -0.07 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 1bh3 s ASN 211 Cb -0.11 -0.35 -0.00 0.00 0.41 0.00 0.00 41.25 41.20 1bh3 s ASN 211 CO -0.08 0.31 -0.17 0.86 -1.51 0.00 0.00 177.10 176.51 1bh3 s TRP 212 N -0.64 1.68 0.11 2.20 -0.00 0.01 -1.01 118.94 121.29 1bh3 s TRP 212 Ca 0.10 -0.46 0.08 0.00 -0.00 0.00 0.00 56.10 55.82 1bh3 s TRP 212 Cb -0.10 -1.13 -0.04 0.00 -0.00 0.00 0.00 33.47 32.21 1bh3 s TRP 212 CO -0.01 -0.15 -0.19 0.71 -0.00 0.00 0.00 176.95 177.32 1bh3 s TYR 213 N -0.02 1.70 -0.34 5.86 1.51 -0.42 -1.75 117.35 123.89 1bh3 s TYR 213 Ca -0.02 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1bh3 s TYR 213 Cb -0.11 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1bh3 s TYR 213 CO 0.02 0.21 0.13 0.34 -1.11 0.00 0.00 175.55 175.14 1bh3 s ASP 214 N -2.08 5.41 -0.10 2.29 -1.08 -0.78 -1.50 116.67 118.83 1bh3 s ASP 214 Ca 0.07 -1.03 0.05 0.00 -0.52 0.00 0.00 52.55 51.12 1bh3 s ASP 214 Cb -0.09 -1.92 0.30 0.00 -1.46 0.00 0.00 42.92 39.76 1bh3 s ASP 214 CO 0.04 -0.32 1.03 0.59 0.52 0.00 0.00 175.17 177.03 1bh3 n ASN 215 N 4.87 2.87 0.00 -0.34 3.02 -1.25 -1.99 115.26 122.44 1bh3 n ASN 215 Ca -0.13 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.04 1bh3 n ASN 215 Cb 0.45 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1bh3 n ASN 215 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bh3 n GLY 216 N 0.19 3.26 0.00 7.41 0.00 -1.21 -1.50 105.19 113.34 1bh3 n GLY 216 Ca 0.12 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1bh3 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bh3 n LEU 217 N 0.00 0.00 -4.69 0.99 4.77 -1.26 -4.85 117.00 111.95 1bh3 n LEU 217 Ca 0.00 0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 1bh3 n LEU 217 Cb 0.00 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1bh3 n LEU 217 CO 0.00 -0.01 0.78 -0.24 -1.33 0.00 0.00 177.39 176.60 1bh3 n SER 218 N -1.08 1.42 0.00 -1.43 2.88 -0.56 -4.84 113.62 110.01 1bh3 n SER 218 Ca 0.19 0.72 0.08 0.00 -1.33 0.00 0.00 58.87 58.54 1bh3 n SER 218 Cb 0.13 -1.51 0.39 0.00 -0.75 0.00 0.00 64.21 62.47 1bh3 n SER 218 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bh3 n THR 219 N -2.44 0.62 0.06 2.46 -2.24 -1.26 -3.00 114.28 108.47 1bh3 n THR 219 Ca 0.15 0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 62.03 1bh3 n THR 219 Cb 0.49 -0.89 0.14 0.00 -2.10 0.00 0.00 70.33 67.97 1bh3 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bh3 h ALA 220 N 2.71 0.92 -0.31 6.98 0.00 -1.88 -3.39 119.26 124.29 1bh3 h ALA 220 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1bh3 h ALA 220 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bh3 h ALA 220 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1bh3 n GLY 221 N 0.06 -1.17 3.70 0.00 0.00 -1.16 -1.30 105.19 105.31 1bh3 n GLY 221 Ca -0.02 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1bh3 n GLY 221 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bh3 n ASP 222 N -0.50 1.33 -3.89 1.61 9.92 -1.26 -3.94 116.55 119.81 1bh3 n ASP 222 Ca 0.00 0.67 -0.11 0.00 -0.53 0.00 0.00 54.79 54.82 1bh3 n ASP 222 Cb 0.00 -1.52 -0.10 0.00 -0.64 0.00 0.00 41.12 38.86 1bh3 n ASP 222 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1bh3 s GLN 223 N -3.83 0.44 -0.01 -1.24 0.74 -0.56 -1.49 119.66 113.72 1bh3 s GLN 223 Ca 0.76 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.74 1bh3 s GLN 223 Cb -0.32 0.18 0.01 0.00 1.10 0.00 0.00 33.01 33.97 1bh3 s GLN 223 CO 0.47 -0.10 -0.01 0.54 -0.55 0.00 0.00 175.29 175.64 1bh3 s VAL 224 N -1.38 0.15 -0.07 1.34 0.11 -0.21 -1.30 120.40 119.04 1bh3 s VAL 224 Ca -0.15 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1bh3 s VAL 224 Cb -0.08 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1bh3 s VAL 224 CO 0.01 0.07 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.85 1bh3 s THR 225 N 0.24 1.09 -0.14 5.04 2.01 -0.18 -1.49 115.64 122.20 1bh3 s THR 225 Ca -0.02 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1bh3 s THR 225 Cb -0.04 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 1bh3 s THR 225 CO -0.01 0.35 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.88 1bh3 s LEU 226 N 0.81 2.41 0.16 4.42 2.96 -0.30 -1.11 118.68 128.03 1bh3 s LEU 226 Ca -0.12 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1bh3 s LEU 226 Cb -0.15 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1bh3 s LEU 226 CO 0.02 0.11 0.10 -0.72 -1.32 0.00 0.00 176.35 174.54 1bh3 s TYR 227 N 0.64 0.95 0.14 5.38 1.13 -0.66 -0.98 117.35 123.96 1bh3 s TYR 227 Ca -0.09 -1.27 -0.24 0.00 -1.41 0.00 0.00 57.07 54.07 1bh3 s TYR 227 Cb -0.16 -0.49 0.07 0.00 -1.10 0.00 0.00 41.96 40.29 1bh3 s TYR 227 CO 0.02 -0.58 0.64 0.20 -2.51 0.00 0.00 175.55 173.32 1bh3 s GLY 228 N -3.09 -0.59 0.04 5.49 0.00 -0.46 -1.02 107.32 107.70 1bh3 s GLY 228 Ca 0.30 0.53 -0.14 0.00 0.00 0.00 0.00 44.72 45.41 1bh3 s GLY 228 CO 0.06 0.17 0.31 0.54 0.00 0.00 0.00 173.10 174.18 1bh3 s ASN 229 N -2.72 -0.13 -0.13 1.64 4.22 -0.77 -1.25 114.94 115.80 1bh3 s ASN 229 Ca 0.02 -0.18 -0.06 0.00 -2.14 0.00 0.00 52.86 50.49 1bh3 s ASN 229 Cb -0.01 0.36 0.05 0.00 1.28 0.00 0.00 41.25 42.93 1bh3 s ASN 229 CO -0.12 -0.62 0.30 -0.47 -2.04 0.00 0.00 177.10 174.15 1bh3 s TYR 230 N -2.55 -0.42 -0.22 1.54 5.04 -0.11 -1.54 117.35 119.09 1bh3 s TYR 230 Ca -0.05 0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 55.41 1bh3 s TYR 230 Cb -0.01 0.11 -0.05 0.00 0.35 0.00 0.00 41.96 42.37 1bh3 s TYR 230 CO -0.03 -0.28 0.23 0.00 -1.34 0.00 0.00 175.55 174.13 1bh3 s ALA 231 N 1.38 3.60 -0.71 3.97 0.00 -0.50 -0.83 121.76 128.68 1bh3 s ALA 231 Ca -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1bh3 s ALA 231 Cb -0.10 -2.40 0.17 0.00 0.00 0.00 0.00 23.12 20.80 1bh3 s ALA 231 CO -0.10 -0.17 0.52 -0.06 0.00 0.00 0.00 175.76 175.95 1bh3 s PHE 232 N 1.02 3.57 0.00 0.00 0.08 0.70 -4.84 117.98 118.51 1bh3 s PHE 232 Ca 0.11 -3.14 0.00 0.00 0.12 0.00 0.00 56.93 54.02 1bh3 s PHE 232 Cb -0.14 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1bh3 s PHE 232 CO 0.05 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 1bh3 n GLY 233 N 2.48 2.95 0.01 4.36 0.00 -1.26 -2.30 105.19 111.44 1bh3 n GLY 233 Ca 0.16 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1bh3 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bh3 n ALA 234 N 10.32 3.49 -2.80 4.61 0.00 -1.26 -4.87 120.51 130.00 1bh3 n ALA 234 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1bh3 n ALA 234 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 1bh3 n ALA 234 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bh3 s THR 235 N -3.05 5.15 -0.11 0.00 -1.32 -0.97 -1.37 115.64 113.97 1bh3 s THR 235 Ca 0.09 0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 1bh3 s THR 235 Cb 0.16 -3.28 -0.01 0.00 -1.51 0.00 0.00 72.50 67.86 1bh3 s THR 235 CO 0.72 0.54 -0.17 -0.89 -2.21 0.00 0.00 174.62 172.61 1bh3 s THR 236 N -0.33 2.75 -0.07 5.08 2.01 0.34 -0.22 115.64 125.20 1bh3 s THR 236 Ca 0.10 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1bh3 s THR 236 Cb -0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1bh3 s THR 236 CO 0.01 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 1bh3 s VAL 237 N 0.24 4.18 0.06 3.82 1.01 -0.01 -0.76 120.40 128.94 1bh3 s VAL 237 Ca -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1bh3 s VAL 237 Cb -0.16 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1bh3 s VAL 237 CO 0.06 0.57 -0.08 -0.13 0.00 0.00 0.00 175.10 175.53 1bh3 s ARG 238 N -0.97 0.64 0.10 2.72 0.52 0.36 -0.94 118.95 121.39 1bh3 s ARG 238 Ca 0.14 -0.96 -0.18 0.00 -0.52 0.00 0.00 55.73 54.21 1bh3 s ARG 238 Cb -0.11 -0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.12 1bh3 s ARG 238 CO 0.03 0.03 0.44 0.00 0.02 0.00 0.00 175.30 175.83 1bh3 s ALA 239 N -2.14 -1.08 0.18 2.13 0.00 -0.38 -1.22 121.76 119.25 1bh3 s ALA 239 Ca -0.02 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 1bh3 s ALA 239 Cb -0.05 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1bh3 s ALA 239 CO -0.01 -0.60 0.57 1.52 0.00 0.00 0.00 175.76 177.23 1bh3 s TYR 240 N -3.35 -0.31 -0.00 0.00 -0.85 -0.53 -1.35 117.35 110.96 1bh3 s TYR 240 Ca -0.00 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 1bh3 s TYR 240 Cb 0.01 0.49 -0.00 0.00 0.38 0.00 0.00 41.96 42.83 1bh3 s TYR 240 CO -0.09 -0.91 -0.01 0.14 -1.52 0.00 0.00 175.55 173.17 1bh3 s VAL 241 N -3.82 0.07 0.01 -3.49 -7.23 -0.15 -1.87 120.40 103.92 1bh3 s VAL 241 Ca 0.05 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1bh3 s VAL 241 Cb -0.01 -0.07 -0.01 0.00 0.56 0.00 0.00 36.38 36.84 1bh3 s VAL 241 CO -0.07 0.02 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.18 1bh3 s SER 242 N 0.00 0.16 0.01 4.85 0.15 0.88 -1.15 113.70 118.60 1bh3 s SER 242 Ca 0.00 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.35 1bh3 s SER 242 Cb -0.01 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 1bh3 s SER 242 CO -0.00 -0.20 -0.13 -1.81 1.20 0.00 0.00 173.24 172.30 1bh3 s ASP 243 N -0.99 1.49 0.28 5.45 1.01 -0.56 -0.61 116.67 122.74 1bh3 s ASP 243 Ca -0.11 -0.33 0.09 0.00 0.71 0.00 0.00 52.55 52.91 1bh3 s ASP 243 Cb -0.07 -0.13 -0.05 0.00 1.01 0.00 0.00 42.92 43.68 1bh3 s ASP 243 CO -0.01 0.09 -0.12 0.27 0.21 0.00 0.00 175.17 175.61 1bh3 s ILE 244 N -0.55 2.01 -0.08 0.77 -4.36 -1.26 -1.04 121.20 116.69 1bh3 s ILE 244 Ca 0.03 -2.24 0.23 0.00 -0.26 0.00 0.00 60.65 58.41 1bh3 s ILE 244 Cb -0.06 -2.36 0.24 0.00 1.25 0.00 0.00 42.46 41.53 1bh3 s ILE 244 CO 0.00 -0.37 1.70 0.44 0.24 0.00 0.00 174.94 176.95 1bh3 h ASP 245 N 2.28 0.00 -1.45 4.36 3.32 -0.57 -3.47 116.42 120.89 1bh3 h ASP 245 Ca -0.40 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 55.94 1bh3 h ASP 245 Cb 1.24 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.85 1bh3 h ASP 245 CO 0.65 0.21 0.23 -1.14 -1.72 0.00 0.00 179.24 177.47 1bh3 n ARG 246 N -3.24 0.69 -1.84 3.56 0.63 -0.42 -4.82 116.66 111.21 1bh3 n ARG 246 Ca 0.02 0.25 -0.42 0.00 -0.92 0.00 0.00 57.85 56.77 1bh3 n ARG 246 Cb 0.51 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 1bh3 n ARG 246 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bh3 s ALA 247 N 0.13 3.82 0.00 5.13 0.00 -1.26 -1.96 121.76 127.62 1bh3 s ALA 247 Ca 0.84 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1bh3 s ALA 247 Cb -1.05 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1bh3 s ALA 247 CO 0.52 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1bh3 n GLY 248 N 3.45 1.36 3.76 0.00 0.00 -1.26 -5.03 105.19 107.47 1bh3 n GLY 248 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1bh3 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bh3 s ALA 249 N -3.80 2.63 0.71 4.61 0.00 -0.83 -5.02 121.76 120.06 1bh3 s ALA 249 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 1bh3 s ALA 249 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1bh3 s ALA 249 CO 0.00 -1.09 1.04 -0.51 0.00 0.00 0.00 175.76 175.20 1bh3 s ASP 250 N -1.53 4.91 0.00 0.00 1.01 0.46 -5.01 116.67 116.51 1bh3 s ASP 250 Ca 0.75 0.61 -0.29 0.00 0.71 0.00 0.00 52.55 54.34 1bh3 s ASP 250 Cb -0.30 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 1bh3 s ASP 250 CO 0.34 -1.57 0.92 -0.89 0.21 0.00 0.00 175.17 174.18 1bh3 s THR 251 N -3.29 4.85 0.30 -1.27 2.01 -1.26 -4.50 115.64 112.48 1bh3 s THR 251 Ca 0.59 1.94 -0.09 0.00 0.31 0.00 0.00 61.69 64.44 1bh3 s THR 251 Cb -0.11 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 68.07 1bh3 s THR 251 CO 0.46 0.20 0.63 0.00 -0.69 0.00 0.00 174.62 175.22 1bh3 s ALA 252 N 0.81 3.50 0.15 7.40 0.00 0.22 -4.78 121.76 129.05 1bh3 s ALA 252 Ca 0.48 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1bh3 s ALA 252 Cb -0.21 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.47 1bh3 s ALA 252 CO 0.26 0.30 0.54 1.52 0.00 0.00 0.00 175.76 178.38 1bh3 s TYR 253 N -2.04 -0.44 0.01 0.00 1.13 -0.63 -0.09 117.35 115.31 1bh3 s TYR 253 Ca 0.48 0.20 -0.29 0.00 -1.41 0.00 0.00 57.07 56.05 1bh3 s TYR 253 Cb -0.11 0.47 0.07 0.00 -1.10 0.00 0.00 41.96 41.29 1bh3 s TYR 253 CO 0.25 -0.81 0.66 0.20 -2.51 0.00 0.00 175.55 173.35 1bh3 s GLY 254 N -2.77 -0.59 -0.01 5.49 0.00 -0.78 -0.39 107.32 108.28 1bh3 s GLY 254 Ca 0.02 1.08 0.01 0.00 0.00 0.00 0.00 44.72 45.82 1bh3 s GLY 254 CO -0.13 0.71 -0.02 -1.50 0.00 0.00 0.00 173.10 172.16 1bh3 s ILE 255 N -1.98 0.23 0.38 0.90 2.07 -0.56 -1.46 121.20 120.77 1bh3 s ILE 255 Ca -0.07 -0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 58.97 1bh3 s ILE 255 Cb -0.00 -0.23 0.05 0.00 0.13 0.00 0.00 42.46 42.41 1bh3 s ILE 255 CO 0.03 0.09 0.71 0.61 -1.91 0.00 0.00 174.94 174.46 1bh3 n GLY 256 N 3.26 1.22 3.27 1.50 0.00 -0.36 -1.49 105.19 112.60 1bh3 n GLY 256 Ca -0.16 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1bh3 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bh3 s ALA 257 N -2.18 -0.90 0.01 4.61 0.00 -0.78 -0.49 121.76 122.02 1bh3 s ALA 257 Ca 0.18 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1bh3 s ALA 257 Cb -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1bh3 s ALA 257 CO 0.13 -0.27 -0.16 -0.51 0.00 0.00 0.00 175.76 174.95 1bh3 s ASP 258 N -1.25 3.92 -0.17 0.00 1.01 0.06 -1.67 116.67 118.57 1bh3 s ASP 258 Ca -0.13 -0.34 -0.00 0.00 0.71 0.00 0.00 52.55 52.79 1bh3 s ASP 258 Cb -0.05 -0.71 0.04 0.00 1.01 0.00 0.00 42.92 43.21 1bh3 s ASP 258 CO 0.05 0.28 -0.06 -0.47 0.21 0.00 0.00 175.17 175.18 1bh3 s TYR 259 N -0.87 1.82 -1.01 4.23 5.04 0.16 -0.51 117.35 126.22 1bh3 s TYR 259 Ca 0.14 -1.15 -0.23 0.00 -2.44 0.00 0.00 57.07 53.39 1bh3 s TYR 259 Cb -0.11 -1.37 0.03 0.00 0.35 0.00 0.00 41.96 40.87 1bh3 s TYR 259 CO 0.04 -0.63 1.55 -1.14 -1.34 0.00 0.00 175.55 174.03 1bh3 s GLN 260 N 1.60 3.40 0.25 4.97 2.00 -0.47 -0.99 119.66 130.42 1bh3 s GLN 260 Ca 0.01 -0.99 -0.01 0.00 -2.00 0.00 0.00 55.36 52.37 1bh3 s GLN 260 Cb -0.15 -5.31 0.30 0.00 0.80 0.00 0.00 33.01 28.65 1bh3 s GLN 260 CO -0.08 -2.43 1.69 0.35 -0.50 0.00 0.00 175.29 174.32 1bh3 h PHE 261 N 10.02 0.74 -2.32 1.67 3.57 -1.62 -3.47 116.94 125.53 1bh3 h PHE 261 Ca 0.19 -0.15 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1bh3 h PHE 261 Cb 1.01 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 1bh3 h PHE 261 CO 1.27 0.81 0.53 0.00 -2.23 0.00 0.00 178.31 178.69 1bh3 s ALA 262 N -4.65 -1.67 0.24 2.41 0.00 -1.14 -5.01 121.76 111.93 1bh3 s ALA 262 Ca -0.08 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 1bh3 s ALA 262 Cb 0.14 0.64 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 1bh3 s ALA 262 CO 0.81 -1.05 1.60 -1.91 0.00 0.00 0.00 175.76 175.21 1bh3 n GLU 263 N -0.52 2.52 -0.64 0.00 2.13 -1.26 -1.90 120.64 120.96 1bh3 n GLU 263 Ca -0.06 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1bh3 n GLU 263 Cb 0.61 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1bh3 n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bh3 n GLY 264 N 2.86 1.29 3.00 8.31 0.00 -1.26 -4.96 105.19 114.44 1bh3 n GLY 264 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1bh3 n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bh3 s VAL 265 N -3.19 1.69 -0.11 1.61 1.01 -0.80 -0.48 120.40 120.13 1bh3 s VAL 265 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1bh3 s VAL 265 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1bh3 s VAL 265 CO 0.00 0.15 -0.14 -0.75 0.00 0.00 0.00 175.10 174.36 1bh3 s LYS 266 N 1.37 2.09 -0.22 2.72 2.20 -0.08 -1.59 119.74 126.23 1bh3 s LYS 266 Ca -0.02 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 1bh3 s LYS 266 Cb -0.17 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 1bh3 s LYS 266 CO -0.08 -0.12 0.28 0.08 -0.36 0.00 0.00 175.35 175.16 1bh3 s VAL 267 N 1.15 5.28 0.08 4.02 1.01 -0.16 -1.37 120.40 130.40 1bh3 s VAL 267 Ca -0.04 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1bh3 s VAL 267 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1bh3 s VAL 267 CO -0.04 0.30 -0.05 -0.44 0.00 0.00 0.00 175.10 174.87 1bh3 s SER 268 N 1.03 0.87 0.17 3.32 0.01 -0.06 0.40 113.70 119.44 1bh3 s SER 268 Ca 0.14 -0.96 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 1bh3 s SER 268 Cb -0.14 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.26 1bh3 s SER 268 CO 0.06 -0.49 0.53 -0.83 0.41 0.00 0.00 173.24 172.91 1bh3 s GLY 269 N -2.88 -0.32 0.08 3.44 0.00 -0.67 -0.59 107.32 106.38 1bh3 s GLY 269 Ca 0.08 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.60 1bh3 s GLY 269 CO -0.06 -0.12 0.77 -1.35 0.00 0.00 0.00 173.10 172.34 1bh3 s SER 270 N -2.82 -0.44 -0.07 1.64 1.04 -0.47 -1.87 113.70 110.72 1bh3 s SER 270 Ca 0.05 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.44 1bh3 s SER 270 Cb -0.01 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1bh3 s SER 270 CO -0.08 -0.79 -0.03 -0.69 0.98 0.00 0.00 173.24 172.62 1bh3 s VAL 271 N -3.40 0.58 0.10 5.02 1.01 -0.55 -1.29 120.40 121.86 1bh3 s VAL 271 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1bh3 s VAL 271 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1bh3 s VAL 271 CO -0.10 0.27 -0.07 -1.10 0.00 0.00 0.00 175.10 174.10 1bh3 s GLN 272 N 1.57 0.83 -0.04 2.72 -0.21 -0.26 -1.50 119.66 122.76 1bh3 s GLN 272 Ca -0.00 -1.27 0.01 0.00 0.02 0.00 0.00 55.36 54.11 1bh3 s GLN 272 Cb -0.13 -0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.61 1bh3 s GLN 272 CO -0.04 0.01 -0.02 0.45 -2.12 0.00 0.00 175.29 173.57 1bh3 s SER 273 N -2.84 0.77 0.69 5.90 0.15 0.48 -1.73 113.70 117.12 1bh3 s SER 273 Ca 0.09 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1bh3 s SER 273 Cb 0.03 -0.35 0.10 0.00 -1.71 0.00 0.00 66.02 64.09 1bh3 s SER 273 CO -0.03 -0.09 0.68 0.61 1.20 0.00 0.00 173.24 175.61 1bh3 n GLY 274 N 4.19 0.27 0.28 9.45 0.00 -0.18 -1.60 105.19 117.60 1bh3 n GLY 274 Ca -0.24 -1.94 0.16 0.00 0.00 0.00 0.00 46.02 44.00 1bh3 n GLY 274 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bh3 h PHE 275 N -0.72 0.00 -0.27 1.61 0.04 -1.86 -2.47 116.94 113.26 1bh3 h PHE 275 Ca -0.22 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 1bh3 h PHE 275 Cb 0.77 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.87 1bh3 h PHE 275 CO 0.00 0.07 -0.04 0.00 -0.60 0.00 0.00 178.31 177.74 1bh3 n ALA 276 N -2.20 3.54 -1.16 2.45 0.00 -1.26 -0.40 120.51 121.48 1bh3 n ALA 276 Ca -0.01 -2.74 -0.05 0.00 0.00 0.00 0.00 53.44 50.63 1bh3 n ALA 276 Cb 0.22 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1bh3 n ALA 276 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bh3 n ASN 277 N -0.90 -4.52 -4.77 0.00 5.15 -0.93 -4.98 115.26 104.30 1bh3 n ASN 277 Ca 0.26 0.14 -0.39 0.00 -0.60 0.00 0.00 54.58 53.99 1bh3 n ASN 277 Cb 0.93 -2.51 -0.00 0.00 -0.53 0.00 0.00 39.78 37.67 1bh3 n ASN 277 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1bh3 s GLU 278 N -1.99 3.94 -0.20 1.20 8.01 -1.26 -4.73 118.70 123.67 1bh3 s GLU 278 Ca 0.00 2.13 -0.03 0.00 0.01 0.00 0.00 54.97 57.08 1bh3 s GLU 278 Cb 0.00 -2.73 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 1bh3 s GLU 278 CO 0.00 -0.51 -0.07 0.99 0.01 0.00 0.00 175.26 175.68 1bh3 s THR 279 N -1.28 3.21 0.03 3.63 2.01 -1.26 -1.01 115.64 120.97 1bh3 s THR 279 Ca 0.57 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1bh3 s THR 279 Cb -0.37 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1bh3 s THR 279 CO 0.48 0.45 -0.12 0.68 -0.69 0.00 0.00 174.62 175.42 1bh3 s VAL 280 N 1.28 0.93 0.03 3.82 -7.23 -0.70 -1.22 120.40 117.31 1bh3 s VAL 280 Ca 0.03 -0.87 -0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1bh3 s VAL 280 Cb -0.14 -0.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1bh3 s VAL 280 CO -0.03 -0.01 0.14 0.00 -0.31 0.00 0.00 175.10 174.89 1bh3 s ALA 281 N -0.78 -0.23 0.13 1.32 0.00 -0.03 -1.11 121.76 121.06 1bh3 s ALA 281 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1bh3 s ALA 281 Cb -0.07 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1bh3 s ALA 281 CO 0.01 -0.32 0.38 0.16 0.00 0.00 0.00 175.76 175.98 1bh3 s ASP 282 N -2.02 -0.17 -0.26 0.00 1.47 -0.41 -0.35 116.67 114.92 1bh3 s ASP 282 Ca -0.06 -0.41 -0.13 0.00 1.18 0.00 0.00 52.55 53.12 1bh3 s ASP 282 Cb -0.02 0.46 0.08 0.00 -0.34 0.00 0.00 42.92 43.11 1bh3 s ASP 282 CO -0.04 -0.86 0.62 0.54 0.68 0.00 0.00 175.17 176.11 1bh3 s VAL 283 N -3.83 -0.18 0.00 2.11 0.11 -0.93 -1.36 120.40 116.32 1bh3 s VAL 283 Ca 0.05 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1bh3 s VAL 283 Cb 0.02 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1bh3 s VAL 283 CO -0.10 0.01 0.29 0.61 -3.33 0.00 0.00 175.10 172.58 1bh3 n GLY 284 N 4.52 0.64 3.32 6.54 0.00 0.24 -0.36 105.19 120.09 1bh3 n GLY 284 Ca -0.19 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 1bh3 n GLY 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bh3 s VAL 285 N -2.18 1.83 -0.05 1.61 1.01 -0.65 -0.88 120.40 121.09 1bh3 s VAL 285 Ca 0.07 -1.75 0.03 0.00 0.00 0.00 0.00 61.98 60.33 1bh3 s VAL 285 Cb -0.00 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1bh3 s VAL 285 CO 0.00 -0.17 -0.15 -0.60 0.00 0.00 0.00 175.10 174.18 1bh3 s ARG 286 N -2.35 1.81 -0.06 2.72 3.52 -0.47 -1.60 118.95 122.52 1bh3 s ARG 286 Ca 0.12 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 1bh3 s ARG 286 Cb -0.08 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.79 1bh3 s ARG 286 CO 0.06 0.15 -0.16 -0.59 -0.81 0.00 0.00 175.30 173.95 1bh3 s PHE 287 N 0.29 1.74 -0.05 5.12 -0.71 -0.32 -0.91 117.98 123.14 1bh3 s PHE 287 Ca -0.09 -0.59 -0.07 0.00 -1.04 0.00 0.00 56.93 55.15 1bh3 s PHE 287 Cb -0.13 -1.20 -0.04 0.00 -1.21 0.00 0.00 43.02 40.43 1bh3 s PHE 287 CO 0.03 -0.24 0.20 -0.51 -1.34 0.00 0.00 175.22 173.37 1bh3 s ASP 288 N 0.30 6.45 0.00 1.98 1.11 0.37 -1.38 116.67 125.50 1bh3 s ASP 288 Ca -0.10 0.51 0.00 0.00 0.18 0.00 0.00 52.55 53.14 1bh3 s ASP 288 Cb -0.14 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 41.78 1bh3 s ASP 288 CO 0.04 0.33 0.00 2.22 1.18 0.00 0.00 175.17 178.94