#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbf s THR 2 N 0.00 1.79 0.09 0.58 2.01 -1.26 -1.05 115.64 117.81 1wbf s THR 2 Ca 0.00 -1.89 -0.17 0.00 0.31 0.00 0.00 61.69 59.94 1wbf s THR 2 Cb 0.00 -2.26 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 1wbf s THR 2 CO 0.00 -0.51 0.55 -0.51 -0.69 0.00 0.00 174.62 173.47 1wbf s ILE 3 N 1.17 4.79 -0.02 1.82 2.07 -0.55 -4.91 121.20 125.57 1wbf s ILE 3 Ca 0.07 1.07 -0.17 0.00 -1.41 0.00 0.00 60.65 60.20 1wbf s ILE 3 Cb -0.19 -3.83 0.03 0.00 0.13 0.00 0.00 42.46 38.60 1wbf s ILE 3 CO -0.12 0.45 0.37 -0.44 -1.91 0.00 0.00 174.94 173.29 1wbf s SER 4 N -1.31 -0.26 -0.06 4.50 0.01 -1.26 -1.11 113.70 114.20 1wbf s SER 4 Ca 0.32 0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 1wbf s SER 4 Cb -0.18 0.35 0.07 0.00 0.21 0.00 0.00 66.02 66.47 1wbf s SER 4 CO 0.19 -0.47 0.66 0.72 0.41 0.00 0.00 173.24 174.74 1wbf s PHE 5 N -1.32 -0.64 -0.08 2.43 -0.12 -0.60 -4.99 117.98 112.67 1wbf s PHE 5 Ca -0.13 1.13 -0.06 0.00 -0.05 0.00 0.00 56.93 57.82 1wbf s PHE 5 Cb -0.04 0.38 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1wbf s PHE 5 CO 0.05 -0.58 0.20 1.21 -0.05 0.00 0.00 175.22 176.05 1wbf s ASN 6 N -1.09 -0.20 -0.25 1.98 2.47 -1.26 -0.97 114.94 115.62 1wbf s ASN 6 Ca -0.10 0.41 0.01 0.00 0.42 0.00 0.00 52.86 53.59 1wbf s ASN 6 Cb -0.01 0.37 0.07 0.00 -1.45 0.00 0.00 41.25 40.23 1wbf s ASN 6 CO 0.09 -0.10 -0.01 -0.36 -3.72 0.00 0.00 177.10 172.99 1wbf s PHE 7 N 0.55 2.35 -0.20 0.43 0.08 0.97 -4.96 117.98 117.19 1wbf s PHE 7 Ca -0.04 -1.83 0.25 0.00 0.12 0.00 0.00 56.93 55.44 1wbf s PHE 7 Cb -0.05 -1.71 0.66 0.00 -0.57 0.00 0.00 43.02 41.35 1wbf s PHE 7 CO -0.03 -0.80 1.72 -0.91 -0.10 0.00 0.00 175.22 175.11 1wbf h ASN 8 N 7.96 0.00 -4.16 1.36 -0.26 -1.88 -0.32 115.58 118.27 1wbf h ASN 8 Ca -0.16 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.69 1wbf h ASN 8 Cb 1.06 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.10 1wbf h ASN 8 CO 0.43 0.07 0.58 0.00 -1.06 0.00 0.00 177.43 177.45 1wbf s GLN 9 N -3.36 0.58 0.30 0.81 -2.07 -1.26 -4.58 119.66 110.08 1wbf s GLN 9 Ca 0.04 0.04 -0.03 0.00 -1.82 0.00 0.00 55.36 53.60 1wbf s GLN 9 Cb 0.07 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1wbf s GLN 9 CO 0.64 -0.20 0.53 -0.06 -1.32 0.00 0.00 175.29 174.88 1wbf s PHE 10 N -1.53 3.49 0.20 9.60 0.08 -0.94 -5.04 117.98 123.83 1wbf s PHE 10 Ca 0.01 0.50 0.08 0.00 0.12 0.00 0.00 56.93 57.64 1wbf s PHE 10 Cb -0.01 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1wbf s PHE 10 CO -0.01 0.18 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.12 1wbf s HIS 11 N -2.14 1.72 0.33 0.36 3.76 -1.26 -4.28 115.29 113.78 1wbf s HIS 11 Ca 0.42 -0.55 -0.27 0.00 -0.15 0.00 0.00 55.06 54.51 1wbf s HIS 11 Cb -0.10 -0.81 -0.09 0.00 1.11 0.00 0.00 32.58 32.68 1wbf s HIS 11 CO 0.32 0.35 1.02 -0.65 -0.85 0.00 0.00 174.74 174.94 1wbf s GLN 12 N -3.46 4.48 0.00 1.40 -0.21 -1.26 -3.23 119.66 117.38 1wbf s GLN 12 Ca 0.21 1.54 0.00 0.00 0.02 0.00 0.00 55.36 57.13 1wbf s GLN 12 Cb -0.02 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1wbf s GLN 12 CO 0.07 0.14 0.00 0.09 -2.12 0.00 0.00 175.29 173.46 1wbf n ASN 13 N 0.61 -2.46 -4.69 5.90 4.13 -1.26 -4.97 115.26 112.53 1wbf n ASN 13 Ca 0.02 0.00 -0.57 0.00 1.68 0.00 0.00 54.58 55.70 1wbf n ASN 13 Cb 0.48 -0.55 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1wbf n ASN 13 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1wbf n GLU 14 N -2.60 1.12 -0.15 3.52 4.07 -1.20 -4.88 120.64 120.52 1wbf n GLU 14 Ca 0.00 0.40 -0.12 0.00 -0.06 0.00 0.00 57.16 57.39 1wbf n GLU 14 Cb 0.02 -2.11 -0.01 0.00 -0.06 0.00 0.00 31.44 29.28 1wbf n GLU 14 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1wbf h GLU 15 N 7.62 0.98 0.00 5.31 5.08 -1.93 -3.21 114.58 128.42 1wbf h GLU 15 Ca -0.44 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 1wbf h GLU 15 Cb 1.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1wbf h GLU 15 CO 0.97 1.11 0.00 1.04 -1.00 0.00 0.00 179.01 181.13 1wbf n GLN 16 N -4.12 0.81 -4.34 2.33 6.02 -1.26 -4.78 117.38 112.04 1wbf n GLN 16 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.72 1wbf n GLN 16 Cb 0.47 -1.22 -0.13 0.00 1.02 0.00 0.00 30.24 30.38 1wbf n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wbf s LEU 17 N -1.45 2.31 -0.26 1.08 1.43 -1.21 -1.28 118.68 119.31 1wbf s LEU 17 Ca 0.17 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1wbf s LEU 17 Cb 0.08 -1.05 0.07 0.00 0.03 0.00 0.00 46.19 45.32 1wbf s LEU 17 CO 0.13 0.12 -0.01 -0.54 0.23 0.00 0.00 176.35 176.29 1wbf s LYS 18 N -1.98 1.37 0.18 1.70 1.02 0.40 -4.74 119.74 117.70 1wbf s LYS 18 Ca 0.10 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 54.88 1wbf s LYS 18 Cb -0.10 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 1wbf s LYS 18 CO 0.05 -0.71 0.61 -0.51 -0.92 0.00 0.00 175.35 173.87 1wbf s LEU 19 N 1.41 4.31 0.02 3.17 1.02 -1.26 -0.92 118.68 126.43 1wbf s LEU 19 Ca -0.01 1.16 0.02 0.00 0.02 0.00 0.00 54.13 55.33 1wbf s LEU 19 Cb -0.18 -3.44 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 1wbf s LEU 19 CO -0.10 0.05 -0.07 -1.10 0.02 0.00 0.00 176.35 175.15 1wbf s GLN 20 N -2.10 0.52 7.88 1.70 -0.21 -0.12 -4.99 119.66 122.34 1wbf s GLN 20 Ca 0.41 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1wbf s GLN 20 Cb -0.15 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.44 1wbf s GLN 20 CO 0.20 0.10 0.00 0.54 -2.12 0.00 0.00 175.29 174.01 1wbf n ARG 21 N 2.27 0.00 0.10 2.91 5.12 -1.26 -1.91 116.66 123.89 1wbf n ARG 21 Ca -0.17 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.88 1wbf n ARG 21 Cb 0.56 0.00 0.44 0.00 -1.16 0.00 0.00 32.46 32.30 1wbf n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wbf n ASP 22 N 6.00 0.70 -4.68 0.55 8.00 -0.86 -4.89 116.55 121.38 1wbf n ASP 22 Ca 0.00 0.59 -0.43 0.00 0.71 0.00 0.00 54.79 55.65 1wbf n ASP 22 Cb 0.00 -0.77 -0.01 0.00 -0.02 0.00 0.00 41.12 40.32 1wbf n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbf n ALA 23 N -1.75 1.18 -3.15 2.24 0.00 -1.06 -4.63 120.51 113.35 1wbf n ALA 23 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1wbf n ALA 23 Cb 0.38 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1wbf n ALA 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wbf s ARG 24 N -1.25 1.13 -0.22 0.00 1.70 -0.66 -4.60 118.95 115.06 1wbf s ARG 24 Ca 0.61 -0.61 -0.07 0.00 -0.47 0.00 0.00 55.73 55.18 1wbf s ARG 24 Cb -0.60 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1wbf s ARG 24 CO 0.57 -0.46 0.07 0.42 -1.08 0.00 0.00 175.30 174.82 1wbf s ILE 25 N -3.73 4.55 0.78 4.99 1.01 -1.26 -1.53 121.20 126.00 1wbf s ILE 25 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1wbf s ILE 25 Cb 0.01 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1wbf s ILE 25 CO -0.12 0.38 1.11 -0.94 0.00 0.00 0.00 174.94 175.38 1wbf s SER 26 N 1.11 4.72 0.49 3.58 1.04 -0.48 -4.85 113.70 119.30 1wbf s SER 26 Ca 0.04 1.12 0.18 0.00 0.48 0.00 0.00 55.95 57.77 1wbf s SER 26 Cb -0.14 -1.82 1.20 0.00 0.10 0.00 0.00 66.02 65.35 1wbf s SER 26 CO 0.03 -1.80 2.06 0.77 0.98 0.00 0.00 173.24 175.29 1wbf h SER 27 N -0.97 0.00 0.07 7.02 4.64 -1.99 -2.07 113.55 120.25 1wbf h SER 27 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wbf h SER 27 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1wbf h SER 27 CO 0.62 0.11 0.00 0.59 -0.87 0.00 0.00 176.83 177.29 1wbf n ASN 28 N -4.25 0.00 0.00 4.97 4.13 -1.26 -4.87 115.26 113.98 1wbf n ASN 28 Ca -0.03 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1wbf n ASN 28 Cb 0.19 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1wbf n ASN 28 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wbf n SER 29 N -1.05 -2.65 -4.65 6.41 2.88 -0.78 -4.98 113.62 108.79 1wbf n SER 29 Ca 0.17 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.36 1wbf n SER 29 Cb 0.10 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1wbf n SER 29 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wbf s VAL 30 N -2.00 4.55 -0.41 2.46 1.01 -1.26 -2.20 120.40 122.54 1wbf s VAL 30 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 1wbf s VAL 30 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1wbf s VAL 30 CO 0.00 0.53 0.73 -0.22 0.00 0.00 0.00 175.10 176.14 1wbf s LEU 31 N -0.22 4.28 -0.41 3.92 2.96 -0.80 -1.39 118.68 127.03 1wbf s LEU 31 Ca 0.07 -0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 1wbf s LEU 31 Cb -0.12 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.69 1wbf s LEU 31 CO 0.02 -0.79 0.30 -1.61 -1.32 0.00 0.00 176.35 172.94 1wbf s GLU 32 N 3.06 2.99 0.20 1.98 2.02 -0.58 -0.86 118.70 127.50 1wbf s GLU 32 Ca 0.28 -1.01 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 1wbf s GLU 32 Cb -0.13 -3.97 0.14 0.00 0.10 0.00 0.00 34.13 30.26 1wbf s GLU 32 CO 0.19 -0.74 1.59 -0.07 0.02 0.00 0.00 175.26 176.25 1wbf h LEU 33 N 8.63 0.80-10.12 1.80 3.38 -1.74 -1.76 115.31 116.30 1wbf h LEU 33 Ca -0.27 -0.32 -0.60 0.00 0.09 0.00 0.00 57.88 56.78 1wbf h LEU 33 Cb 1.12 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1wbf h LEU 33 CO 0.73 1.04 -0.42 0.42 0.09 0.00 0.00 178.44 180.30 1wbf s THR 34 N -4.49 1.80 0.03 0.22 -4.23 -1.26 -2.55 115.64 105.16 1wbf s THR 34 Ca -0.09 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.44 1wbf s THR 34 Cb 0.12 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1wbf s THR 34 CO 0.84 0.00 1.04 -0.54 -0.54 0.00 0.00 174.62 175.42 1wbf s LYS 35 N -4.06 4.54 -0.14 3.99 1.02 -1.26 -4.83 119.74 119.00 1wbf s LYS 35 Ca 0.31 1.52 -0.01 0.00 0.02 0.00 0.00 55.97 57.80 1wbf s LYS 35 Cb 0.01 -3.42 0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1wbf s LYS 35 CO 0.18 -0.08 -0.01 0.14 -0.92 0.00 0.00 175.35 174.66 1wbf s VAL 36 N 0.90 0.68 -0.40 3.17 -7.23 -1.26 -1.45 120.40 114.81 1wbf s VAL 36 Ca 0.53 -0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 60.24 1wbf s VAL 36 Cb -0.24 -0.93 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1wbf s VAL 36 CO 0.29 0.10 0.28 0.68 -0.31 0.00 0.00 175.10 176.13 1wbf s VAL 37 N 1.82 5.15 -1.24 1.32 -7.23 -0.43 -4.63 120.40 115.16 1wbf s VAL 37 Ca 0.02 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 1wbf s VAL 37 Cb -0.14 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 32.95 1wbf s VAL 37 CO -0.07 -0.27 0.64 -3.20 -0.31 0.00 0.00 175.10 171.88 1wbf n ASN 38 N 5.13 -3.50 0.00 4.85 5.15 -1.26 -1.94 115.26 123.68 1wbf n ASN 38 Ca -0.11 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 1wbf n ASN 38 Cb 0.47 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 1wbf n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wbf n GLY 39 N -1.90 2.62 3.28 8.20 0.00 -1.26 -5.01 105.19 111.11 1wbf n GLY 39 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1wbf n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbf s VAL 40 N -3.08 3.21 0.42 1.61 1.01 -0.82 -5.10 120.40 117.65 1wbf s VAL 40 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1wbf s VAL 40 Cb 0.00 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 1wbf s VAL 40 CO 0.00 0.38 1.23 -2.16 0.00 0.00 0.00 175.10 174.55 1wbf s PRO 41 N 1.44 3.91 0.07 2.72 0.04 -1.26 -1.31 135.00 140.60 1wbf s PRO 41 Ca 0.05 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1wbf s PRO 41 Cb -0.15 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1wbf s PRO 41 CO -0.04 -0.48 -0.07 0.95 0.04 0.00 0.00 177.00 177.39 1wbf s THR 42 N -1.37 3.56 0.59 1.26 -4.23 -0.53 -4.82 115.64 110.10 1wbf s THR 42 Ca 0.59 -1.07 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1wbf s THR 42 Cb -0.34 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1wbf s THR 42 CO 0.42 0.20 0.56 -2.67 -0.54 0.00 0.00 174.62 172.59 1wbf n TRP 43 N 0.94 -3.52 -4.04 3.99 4.27 -1.26 -4.31 117.44 113.50 1wbf n TRP 43 Ca -0.13 -0.51 -0.28 0.00 -3.89 0.00 0.00 57.50 52.69 1wbf n TRP 43 Cb 0.52 -0.56 -0.04 0.00 -1.36 0.00 0.00 31.31 29.88 1wbf n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1wbf n ASN 44 N -3.86 -0.39 -4.12 -0.67 5.15 0.10 -4.93 115.26 106.55 1wbf n ASN 44 Ca 0.08 -1.09 -0.15 0.00 -0.60 0.00 0.00 54.58 52.81 1wbf n ASN 44 Cb 0.29 -2.63 -0.12 0.00 -0.53 0.00 0.00 39.78 36.80 1wbf n ASN 44 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wbf s SER 45 N -4.30 1.27 -0.19 1.20 0.15 -1.26 -5.00 113.70 105.57 1wbf s SER 45 Ca 0.05 -0.60 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 1wbf s SER 45 Cb -0.02 -0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1wbf s SER 45 CO 0.92 -0.15 0.51 -0.89 1.20 0.00 0.00 173.24 174.83 1wbf s THR 46 N -1.41 -0.00 0.00 6.45 2.01 -1.26 -0.97 115.64 120.46 1wbf s THR 46 Ca -0.05 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 1wbf s THR 46 Cb -0.09 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.76 1wbf s THR 46 CO 0.01 0.00 0.55 -0.83 -0.69 0.00 0.00 174.62 173.67 1wbf s GLY 47 N 0.47 -0.45 0.08 4.40 0.00 -0.81 -2.02 107.32 109.00 1wbf s GLY 47 Ca -0.02 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1wbf s GLY 47 CO -0.02 0.52 -0.06 0.50 0.00 0.00 0.00 173.10 174.04 1wbf s ARG 48 N -1.80 0.75 -0.04 2.90 0.52 -0.80 -1.35 118.95 119.13 1wbf s ARG 48 Ca -0.09 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 53.89 1wbf s ARG 48 Cb -0.01 -0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.33 1wbf s ARG 48 CO 0.04 -0.02 0.07 0.00 0.02 0.00 0.00 175.30 175.41 1wbf s ALA 49 N -3.27 -0.01 0.10 2.13 0.00 -0.39 -0.95 121.76 119.38 1wbf s ALA 49 Ca 0.07 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.51 1wbf s ALA 49 Cb 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1wbf s ALA 49 CO -0.05 -0.20 -0.17 -0.51 0.00 0.00 0.00 175.76 174.83 1wbf s LEU 50 N 1.33 2.33 0.11 0.00 1.43 -0.09 -0.61 118.68 123.17 1wbf s LEU 50 Ca -0.06 -0.71 -0.31 0.00 -1.03 0.00 0.00 54.13 52.02 1wbf s LEU 50 Cb -0.12 -0.69 -0.07 0.00 0.03 0.00 0.00 46.19 45.33 1wbf s LEU 50 CO -0.04 -0.03 1.25 -0.47 0.23 0.00 0.00 176.35 177.28 1wbf s TYR 51 N -1.48 3.38 -1.14 0.29 5.04 -0.62 -0.45 117.35 122.38 1wbf s TYR 51 Ca 0.05 1.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.95 1wbf s TYR 51 Cb -0.09 -3.49 0.13 0.00 0.35 0.00 0.00 41.96 38.86 1wbf s TYR 51 CO 0.04 -1.55 1.03 0.00 -1.34 0.00 0.00 175.55 173.73 1wbf n ALA 52 N 3.57 1.20 -2.41 3.97 0.00 -0.40 -4.67 120.51 121.78 1wbf n ALA 52 Ca 0.08 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1wbf n ALA 52 Cb 0.45 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1wbf n ALA 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wbf s LYS 53 N -2.86 1.69 0.64 0.00 2.20 -1.26 -5.04 119.74 115.10 1wbf s LYS 53 Ca 0.02 -0.91 -0.11 0.00 -0.36 0.00 0.00 55.97 54.61 1wbf s LYS 53 Cb 0.02 -1.73 -0.03 0.00 -1.51 0.00 0.00 37.83 34.58 1wbf s LYS 53 CO 0.05 0.46 1.04 -2.14 -0.36 0.00 0.00 175.35 174.40 1wbf s PRO 54 N -0.86 3.45 0.12 4.03 0.02 -1.26 -4.81 135.00 135.69 1wbf s PRO 54 Ca 0.09 0.80 0.10 0.00 0.02 0.00 0.00 61.00 62.01 1wbf s PRO 54 Cb -0.09 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1wbf s PRO 54 CO 0.00 -0.69 -0.22 0.14 -0.33 0.00 0.00 177.00 175.90 1wbf s VAL 55 N -3.14 2.58 -0.47 3.83 -7.23 -0.81 -4.94 120.40 110.22 1wbf s VAL 55 Ca 0.56 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.89 1wbf s VAL 55 Cb -0.12 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.69 1wbf s VAL 55 CO 0.54 0.09 0.72 -1.58 -0.31 0.00 0.00 175.10 174.57 1wbf s GLN 56 N -2.11 3.29 0.22 4.82 0.74 -1.26 -1.70 119.66 123.66 1wbf s GLN 56 Ca 0.16 -0.39 0.11 0.00 0.05 0.00 0.00 55.36 55.30 1wbf s GLN 56 Cb -0.10 -3.99 0.04 0.00 1.10 0.00 0.00 33.01 30.06 1wbf s GLN 56 CO 0.08 -1.16 1.42 -0.39 -0.55 0.00 0.00 175.29 174.70 1wbf h VAL 57 N 5.92 1.30 -3.13 1.34 -1.51 -1.46 -3.45 116.25 115.27 1wbf h VAL 57 Ca -0.26 -2.67 0.03 0.00 -1.23 0.00 0.00 66.70 62.57 1wbf h VAL 57 Cb 1.09 2.53 -0.07 0.00 -2.13 0.00 0.00 31.29 32.70 1wbf h VAL 57 CO 0.96 0.71 0.15 -1.66 -1.23 0.00 0.00 177.57 176.49 1wbf s TRP 58 N -2.99 -0.16 -0.08 5.19 1.48 -1.20 -0.26 118.94 120.92 1wbf s TRP 58 Ca 0.02 -0.23 0.04 0.00 -1.06 0.00 0.00 56.10 54.87 1wbf s TRP 58 Cb 0.10 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.98 1wbf s TRP 58 CO 0.77 -1.10 -0.21 0.34 -4.06 0.00 0.00 176.95 172.70 1wbf s ASP 59 N -2.90 2.73 0.12 -2.66 2.15 -0.46 -4.72 116.67 110.93 1wbf s ASP 59 Ca 0.11 -0.48 -0.09 0.00 0.43 0.00 0.00 52.55 52.52 1wbf s ASP 59 Cb -0.04 -1.15 -0.11 0.00 -0.30 0.00 0.00 42.92 41.32 1wbf s ASP 59 CO 0.03 0.14 1.31 0.28 -0.17 0.00 0.00 175.17 176.76 1wbf h SER 60 N 6.65 0.76 -0.12 -0.34 0.02 -1.95 0.17 113.55 118.73 1wbf h SER 60 Ca -0.24 -0.54 0.04 0.00 -0.84 0.00 0.00 61.79 60.21 1wbf h SER 60 Cb 1.22 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 1wbf h SER 60 CO 0.47 1.33 -0.18 0.74 -1.14 0.00 0.00 176.83 178.05 1wbf h THR 61 N 0.40 0.54 0.01 -2.27 2.02 -1.96 -3.29 112.91 108.36 1wbf h THR 61 Ca -0.07 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.77 1wbf h THR 61 Cb 1.47 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 1wbf h THR 61 CO 0.16 0.00 -2.13 0.35 0.37 0.00 0.00 175.52 174.28 1wbf n THR 62 N -5.32 1.50 -0.56 3.16 -2.24 -1.24 -5.00 114.28 104.58 1wbf n THR 62 Ca -0.03 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1wbf n THR 62 Cb 0.24 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1wbf n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbf n GLY 63 N 1.73 0.75 3.75 3.38 0.00 0.58 -5.04 105.19 110.34 1wbf n GLY 63 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1wbf n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wbf s ASN 64 N -2.45 7.44 -0.13 1.61 0.02 -1.23 -4.87 114.94 115.33 1wbf s ASN 64 Ca 0.00 1.71 -0.00 0.00 -1.02 0.00 0.00 52.86 53.55 1wbf s ASN 64 Cb 0.00 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.71 1wbf s ASN 64 CO 0.00 0.11 -0.12 0.54 0.02 0.00 0.00 177.10 177.65 1wbf s VAL 65 N -0.73 3.19 0.56 1.60 0.11 -1.26 -1.36 120.40 122.50 1wbf s VAL 65 Ca 0.40 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.63 1wbf s VAL 65 Cb -0.23 -2.34 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 1wbf s VAL 65 CO 0.28 0.52 1.21 0.00 -3.33 0.00 0.00 175.10 173.78 1wbf s ALA 66 N 0.29 2.68 0.13 1.54 0.00 0.65 -4.72 121.76 122.33 1wbf s ALA 66 Ca -0.09 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1wbf s ALA 66 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1wbf s ALA 66 CO 0.05 -1.05 0.21 -1.12 0.00 0.00 0.00 175.76 173.85 1wbf s SER 67 N -1.49 6.02 0.10 0.00 0.01 -0.74 -4.53 113.70 113.08 1wbf s SER 67 Ca 0.74 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 1wbf s SER 67 Cb -0.31 -1.74 0.03 0.00 0.21 0.00 0.00 66.02 64.21 1wbf s SER 67 CO 0.34 0.09 0.34 0.72 0.41 0.00 0.00 173.24 175.15 1wbf s PHE 68 N -1.67 -0.12 -0.04 2.43 -0.12 -0.80 -0.77 117.98 116.89 1wbf s PHE 68 Ca 0.33 -0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.00 1wbf s PHE 68 Cb -0.11 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1wbf s PHE 68 CO 0.26 -0.63 0.10 -2.00 -0.05 0.00 0.00 175.22 172.90 1wbf s GLU 69 N -3.58 0.07 0.02 1.99 2.12 0.20 -1.22 118.70 118.29 1wbf s GLU 69 Ca 0.02 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.61 1wbf s GLU 69 Cb 0.02 -0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.29 1wbf s GLU 69 CO -0.10 -0.10 -0.08 -0.08 -0.54 0.00 0.00 175.26 174.35 1wbf s THR 70 N 0.70 0.65 -0.00 -1.70 -1.32 -0.50 -1.00 115.64 112.46 1wbf s THR 70 Ca -0.05 -0.63 0.01 0.00 -1.21 0.00 0.00 61.69 59.80 1wbf s THR 70 Cb -0.07 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1wbf s THR 70 CO -0.03 -0.02 -0.03 -0.13 -2.21 0.00 0.00 174.62 172.21 1wbf s ARG 71 N -0.71 0.25 0.13 7.08 0.52 -0.81 -1.46 118.95 123.94 1wbf s ARG 71 Ca -0.01 -0.09 -0.23 0.00 -0.52 0.00 0.00 55.73 54.87 1wbf s ARG 71 Cb -0.06 -0.26 0.07 0.00 0.52 0.00 0.00 34.95 35.22 1wbf s ARG 71 CO 0.00 0.05 0.59 -0.59 0.02 0.00 0.00 175.30 175.38 1wbf s PHE 72 N 0.02 -0.53 0.03 -0.53 -0.71 -0.81 -1.51 117.98 113.93 1wbf s PHE 72 Ca 0.00 0.40 0.08 0.00 -1.04 0.00 0.00 56.93 56.37 1wbf s PHE 72 Cb -0.02 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 1wbf s PHE 72 CO -0.00 -0.81 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.72 1wbf s SER 73 N -2.55 2.77 0.30 1.98 0.01 -1.11 -0.47 113.70 114.63 1wbf s SER 73 Ca -0.00 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.76 1wbf s SER 73 Cb -0.01 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1wbf s SER 73 CO -0.10 0.23 0.14 0.72 0.41 0.00 0.00 173.24 174.64 1wbf s PHE 74 N -0.73 1.60 -0.08 2.43 -0.12 -0.49 -0.92 117.98 119.67 1wbf s PHE 74 Ca 0.09 -1.31 -0.03 0.00 -0.05 0.00 0.00 56.93 55.63 1wbf s PHE 74 Cb -0.09 -0.90 0.04 0.00 -0.63 0.00 0.00 43.02 41.44 1wbf s PHE 74 CO 0.01 -0.45 0.17 0.45 -0.05 0.00 0.00 175.22 175.36 1wbf s SER 75 N -3.38 -0.05 -0.24 1.98 0.15 0.34 -1.84 113.70 110.67 1wbf s SER 75 Ca 0.35 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1wbf s SER 75 Cb 0.06 0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 1wbf s SER 75 CO 0.16 -0.16 -0.07 -0.63 1.20 0.00 0.00 173.24 173.73 1wbf s ILE 76 N 1.33 1.72 -0.23 6.45 1.01 -1.26 -1.29 121.20 128.94 1wbf s ILE 76 Ca -0.08 -1.31 -0.07 0.00 0.00 0.00 0.00 60.65 59.19 1wbf s ILE 76 Cb -0.11 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1wbf s ILE 76 CO -0.07 -0.05 0.07 -0.60 0.00 0.00 0.00 174.94 174.29 1wbf s ARG 77 N 1.31 3.76 -0.73 2.79 3.52 -1.25 -1.51 118.95 126.84 1wbf s ARG 77 Ca -0.06 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.04 1wbf s ARG 77 Cb -0.19 -3.28 0.19 0.00 -1.56 0.00 0.00 34.95 30.11 1wbf s ARG 77 CO -0.06 -0.03 0.59 -0.65 -0.81 0.00 0.00 175.30 174.34 1wbf s GLN 78 N 1.19 2.99 0.14 5.12 -0.21 -1.26 -1.81 119.66 125.81 1wbf s GLN 78 Ca 0.04 -2.63 -0.15 0.00 0.02 0.00 0.00 55.36 52.64 1wbf s GLN 78 Cb -0.14 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 29.89 1wbf s GLN 78 CO 0.03 -1.22 1.68 -1.00 -2.12 0.00 0.00 175.29 172.66 1wbf h PRO 79 N 7.09 0.64 -4.00 2.91 0.13 -1.97 -3.37 132.00 133.42 1wbf h PRO 79 Ca 0.05 -0.12 -0.78 0.00 -0.87 0.00 0.00 66.00 64.28 1wbf h PRO 79 Cb 0.96 -0.10 -0.25 0.00 0.13 0.00 0.00 31.00 31.74 1wbf h PRO 79 CO 0.75 0.61 0.25 -0.06 -0.23 0.00 0.00 178.00 179.31 1wbf s PHE 80 N -5.50 3.70 0.55 1.56 0.08 -1.26 -4.90 117.98 112.20 1wbf s PHE 80 Ca -0.13 -1.96 0.24 0.00 0.12 0.00 0.00 56.93 55.20 1wbf s PHE 80 Cb 0.10 -3.90 1.45 0.00 -0.57 0.00 0.00 43.02 40.10 1wbf s PHE 80 CO 0.76 -1.07 2.07 -1.35 -0.10 0.00 0.00 175.22 175.53 1wbf h PRO 81 N 7.85 0.00 -6.17 0.24 0.11 -1.87 -3.39 132.00 128.75 1wbf h PRO 81 Ca 0.12 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.66 1wbf h PRO 81 Cb 1.02 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.90 1wbf h PRO 81 CO 0.83 0.00 -0.83 1.03 -0.21 0.00 0.00 178.00 178.81 1wbf s ARG 82 N -4.91 1.23 0.39 1.05 3.00 -1.26 -4.03 118.95 114.42 1wbf s ARG 82 Ca -0.05 -1.09 0.21 0.00 0.00 0.00 0.00 55.73 54.79 1wbf s ARG 82 Cb 0.18 -1.45 0.29 0.00 0.00 0.00 0.00 34.95 33.96 1wbf s ARG 82 CO 0.66 0.35 1.57 -1.00 0.00 0.00 0.00 175.30 176.88 1wbf h PRO 83 N 4.35 0.00 0.00 3.54 0.13 -1.81 -3.45 132.00 134.76 1wbf h PRO 83 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wbf h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wbf h PRO 83 CO 0.41 0.17 0.00 -2.39 -0.23 0.00 0.00 178.00 175.96 1wbf n HIS 84 N -3.15 0.00 -0.92 1.56 1.44 -1.26 -5.11 115.22 107.78 1wbf n HIS 84 Ca 0.03 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 1wbf n HIS 84 Cb 0.59 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.87 1wbf n HIS 84 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1wbf s PRO 85 N 0.00 0.83 -0.09 -1.40 0.02 -1.26 -4.02 135.00 129.07 1wbf s PRO 85 Ca 0.00 1.08 -0.31 0.00 0.02 0.00 0.00 61.00 61.80 1wbf s PRO 85 Cb 0.00 -1.74 0.12 0.00 0.02 0.00 0.00 34.50 32.90 1wbf s PRO 85 CO 0.00 -2.61 1.00 0.00 -0.33 0.00 0.00 177.00 175.06 1wbf s ALA 86 N -2.74 -1.91 -0.07 -1.55 0.00 -1.26 -4.27 121.76 109.96 1wbf s ALA 86 Ca 0.65 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.96 1wbf s ALA 86 Cb -0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 1wbf s ALA 86 CO 0.59 -0.56 -0.01 -0.25 0.00 0.00 0.00 175.76 175.53 1wbf n ASP 87 N 0.06 3.44 0.00 0.00 8.00 0.62 -3.25 116.55 125.42 1wbf n ASP 87 Ca -0.07 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1wbf n ASP 87 Cb 0.60 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1wbf n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wbf n GLY 88 N 2.78 1.25 3.30 0.44 0.00 -1.14 -1.91 105.19 109.90 1wbf n GLY 88 Ca -0.11 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1wbf n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wbf s LEU 89 N 0.00 2.36 -0.00 0.99 0.05 -0.86 -2.13 118.68 119.08 1wbf s LEU 89 Ca 0.00 -1.12 -0.10 0.00 0.05 0.00 0.00 54.13 52.95 1wbf s LEU 89 Cb 0.00 -0.34 0.01 0.00 -2.05 0.00 0.00 46.19 43.81 1wbf s LEU 89 CO 0.00 -0.41 0.20 0.68 -0.55 0.00 0.00 176.35 176.27 1wbf s VAL 90 N -3.34 0.07 -0.10 1.48 -7.23 0.31 -1.65 120.40 109.95 1wbf s VAL 90 Ca 0.23 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 1wbf s VAL 90 Cb 0.04 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.42 1wbf s VAL 90 CO 0.05 -0.34 0.28 0.12 -0.31 0.00 0.00 175.10 174.90 1wbf s PHE 91 N -1.39 3.59 0.05 2.82 5.36 -0.40 -1.70 117.98 126.31 1wbf s PHE 91 Ca -0.14 0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 56.46 1wbf s PHE 91 Cb -0.07 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1wbf s PHE 91 CO 0.03 0.54 0.11 -0.59 -1.46 0.00 0.00 175.22 173.84 1wbf s PHE 92 N -0.53 0.21 -0.10 10.12 -0.71 -0.42 -0.88 117.98 125.67 1wbf s PHE 92 Ca 0.18 -0.55 0.02 0.00 -1.04 0.00 0.00 56.93 55.54 1wbf s PHE 92 Cb -0.14 -0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 1wbf s PHE 92 CO 0.07 -0.40 -0.15 0.42 -1.34 0.00 0.00 175.22 173.81 1wbf s ILE 93 N -2.95 1.44 0.15 -4.49 1.01 0.16 -2.28 121.20 114.24 1wbf s ILE 93 Ca -0.02 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1wbf s ILE 93 Cb 0.01 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1wbf s ILE 93 CO -0.06 0.43 0.32 0.00 0.00 0.00 0.00 174.94 175.62 1wbf s ALA 94 N 0.90 -0.29 0.82 9.38 0.00 -0.96 -1.14 121.76 130.48 1wbf s ALA 94 Ca -0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 1wbf s ALA 94 Cb -0.15 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.83 1wbf s ALA 94 CO 0.00 -0.65 1.18 -1.25 0.00 0.00 0.00 175.76 175.05 1wbf s PRO 95 N -3.92 1.58 1.28 0.00 0.04 -1.26 -1.00 135.00 131.73 1wbf s PRO 95 Ca 0.12 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1wbf s PRO 95 Cb 0.03 -1.78 0.32 0.00 0.04 0.00 0.00 34.50 33.11 1wbf s PRO 95 CO -0.04 -2.24 1.02 -2.14 0.04 0.00 0.00 177.00 173.64 1wbf s PRO 96 N -4.28 -1.86 -1.25 0.56 0.02 -1.26 -4.31 135.00 122.62 1wbf s PRO 96 Ca 0.71 0.19 -0.21 0.00 0.02 0.00 0.00 61.00 61.71 1wbf s PRO 96 Cb -0.26 -1.50 0.01 0.00 0.02 0.00 0.00 34.50 32.77 1wbf s PRO 96 CO 0.52 -4.19 0.61 0.09 -0.33 0.00 0.00 177.00 173.70 1wbf n ASN 97 N -5.15 -3.43 -4.41 2.53 3.02 -1.26 -5.00 115.26 101.57 1wbf n ASN 97 Ca 0.11 -1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 53.21 1wbf n ASN 97 Cb 0.59 -2.51 -0.13 0.00 -0.61 0.00 0.00 39.78 37.12 1wbf n ASN 97 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wbf s THR 98 N -3.66 2.45 0.18 3.41 -4.23 -1.26 -5.14 115.64 107.38 1wbf s THR 98 Ca 0.36 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1wbf s THR 98 Cb -0.16 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1wbf s THR 98 CO 0.92 0.20 0.20 -1.10 -0.54 0.00 0.00 174.62 174.30 1wbf s GLN 99 N -1.77 3.09 -0.07 3.99 -0.21 -1.26 -5.05 119.66 118.38 1wbf s GLN 99 Ca 0.14 -0.81 -0.35 0.00 0.02 0.00 0.00 55.36 54.36 1wbf s GLN 99 Cb -0.10 -2.74 -0.13 0.00 1.00 0.00 0.00 33.01 31.04 1wbf s GLN 99 CO 0.06 0.48 1.77 2.41 -2.12 0.00 0.00 175.29 177.89 1wbf n THR 100 N -0.58 0.40 0.00 -0.19 -1.04 -1.26 -4.96 114.28 106.65 1wbf n THR 100 Ca -0.08 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1wbf n THR 100 Cb 0.55 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1wbf n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wbf n GLY 101 N 4.09 -1.15 3.84 3.41 0.00 -0.37 -4.93 105.19 110.08 1wbf n GLY 101 Ca 0.22 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1wbf n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbf s GLU 102 N 0.00 3.97 0.00 1.61 0.41 -1.11 -4.60 118.70 118.97 1wbf s GLU 102 Ca 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 1wbf s GLU 102 Cb 0.00 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1wbf s GLU 102 CO 0.00 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 1wbf n GLY 103 N -1.39 1.12 7.00 -1.39 0.00 -1.26 -0.07 105.19 109.21 1wbf n GLY 103 Ca 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1wbf n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbf n GLY 104 N 5.00 3.23 0.00 -0.02 0.00 -1.26 -1.68 105.19 110.47 1wbf n GLY 104 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1wbf n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbf n GLY 105 N 0.00 -0.62 0.00 -0.02 0.00 -1.26 -2.01 105.19 101.28 1wbf n GLY 105 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1wbf n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wbf n TYR 106 N -0.60 0.00 -0.87 1.61 4.01 -0.67 -4.96 117.16 115.67 1wbf n TYR 106 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1wbf n TYR 106 Cb 0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1wbf n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wbf n PHE 107 N -1.43 0.00 -0.71 -0.72 3.72 -0.85 -2.09 117.46 115.38 1wbf n PHE 107 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1wbf n PHE 107 Cb 0.27 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.45 1wbf n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbf n GLY 108 N -0.70 0.58 0.00 1.37 0.00 0.91 -3.15 105.19 104.20 1wbf n GLY 108 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1wbf n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wbf n ILE 109 N -2.71 0.00 -3.58 -0.61 -5.35 -0.89 -1.24 119.36 104.99 1wbf n ILE 109 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 1wbf n ILE 109 Cb 0.00 -0.55 -0.11 0.00 -1.74 0.00 0.00 39.64 37.24 1wbf n ILE 109 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wbf s TYR 110 N -1.63 3.22 -0.26 4.28 5.04 -1.07 -4.46 117.35 122.47 1wbf s TYR 110 Ca 0.00 0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1wbf s TYR 110 Cb 0.00 -2.39 0.06 0.00 0.35 0.00 0.00 41.96 39.99 1wbf s TYR 110 CO 0.00 -0.16 -0.07 1.21 -1.34 0.00 0.00 175.55 175.19 1wbf s ASN 111 N 1.74 4.22 0.56 4.32 2.47 -1.26 -2.77 114.94 124.22 1wbf s ASN 111 Ca 0.07 -1.37 0.30 0.00 0.42 0.00 0.00 52.86 52.29 1wbf s ASN 111 Cb -0.16 -1.39 1.66 0.00 -1.45 0.00 0.00 41.25 39.91 1wbf s ASN 111 CO 0.11 -0.23 2.15 -0.65 -3.72 0.00 0.00 177.10 174.76 1wbf h PRO 112 N 7.84 0.00 -0.01 0.43 0.11 -2.00 -2.73 132.00 135.65 1wbf h PRO 112 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1wbf h PRO 112 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wbf h PRO 112 CO 0.45 0.07 -0.22 1.28 -0.21 0.00 0.00 178.00 179.36 1wbf n LEU 113 N -3.58 1.06 -2.81 2.35 4.77 -1.26 -4.42 117.00 113.10 1wbf n LEU 113 Ca -0.02 -0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 1wbf n LEU 113 Cb 0.18 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1wbf n LEU 113 CO 0.28 0.19 0.21 -0.24 -1.33 0.00 0.00 177.39 176.51 1wbf n SER 114 N -0.57 -2.00 -4.61 -1.43 2.88 -1.05 -5.15 113.62 101.69 1wbf n SER 114 Ca 0.13 -3.49 -0.38 0.00 -1.33 0.00 0.00 58.87 53.80 1wbf n SER 114 Cb 0.35 1.51 0.05 0.00 -0.75 0.00 0.00 64.21 65.37 1wbf n SER 114 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1wbf n PRO 115 N 0.70 0.85 -3.74 -1.46 -0.02 -1.06 -4.76 135.00 125.51 1wbf n PRO 115 Ca 0.10 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1wbf n PRO 115 Cb 0.67 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 1wbf n PRO 115 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1wbf s TYR 116 N -1.53 -0.17 0.42 6.00 1.13 -1.26 -5.09 117.35 116.84 1wbf s TYR 116 Ca 0.76 0.15 -0.24 0.00 -1.41 0.00 0.00 57.07 56.33 1wbf s TYR 116 Cb -0.42 0.12 -0.09 0.00 -1.10 0.00 0.00 41.96 40.48 1wbf s TYR 116 CO 0.47 -0.47 1.07 -1.25 -2.51 0.00 0.00 175.55 172.87 1wbf s PRO 117 N -2.01 4.06 -0.13 -3.49 0.04 -1.26 -4.91 135.00 127.30 1wbf s PRO 117 Ca -0.09 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1wbf s PRO 117 Cb -0.03 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1wbf s PRO 117 CO 0.00 -0.24 0.79 -0.59 0.04 0.00 0.00 177.00 177.00 1wbf s PHE 118 N -1.65 -0.61 -0.07 0.56 -0.12 -1.26 -4.00 117.98 110.83 1wbf s PHE 118 Ca 0.59 1.17 0.05 0.00 -0.05 0.00 0.00 56.93 58.70 1wbf s PHE 118 Cb -0.23 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 1wbf s PHE 118 CO 0.29 -0.48 -0.25 0.08 -0.05 0.00 0.00 175.22 174.81 1wbf s VAL 119 N -0.76 2.04 0.02 -2.49 1.01 -0.29 -0.94 120.40 119.01 1wbf s VAL 119 Ca -0.06 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1wbf s VAL 119 Cb -0.01 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1wbf s VAL 119 CO 0.05 0.56 0.39 0.00 0.00 0.00 0.00 175.10 176.10 1wbf s ALA 120 N 0.01 -0.95 -0.16 5.51 0.00 -0.37 -0.67 121.76 125.14 1wbf s ALA 120 Ca -0.09 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 1wbf s ALA 120 Cb -0.15 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1wbf s ALA 120 CO 0.05 -0.40 -0.05 0.08 0.00 0.00 0.00 175.76 175.44 1wbf s VAL 121 N -2.14 3.67 0.04 0.00 1.01 -0.06 -0.46 120.40 122.46 1wbf s VAL 121 Ca -0.07 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1wbf s VAL 121 Cb -0.02 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1wbf s VAL 121 CO -0.00 0.49 -0.17 -1.83 0.00 0.00 0.00 175.10 173.59 1wbf s GLU 122 N 0.50 2.10 -0.40 2.72 -1.05 -0.03 -1.27 118.70 121.27 1wbf s GLU 122 Ca -0.04 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 1wbf s GLU 122 Cb -0.15 -2.21 0.11 0.00 -0.44 0.00 0.00 34.13 31.45 1wbf s GLU 122 CO 0.03 0.54 0.13 -0.06 0.95 0.00 0.00 175.26 176.85 1wbf s PHE 123 N -0.95 3.24 -0.21 4.83 0.08 -0.66 -0.56 117.98 123.75 1wbf s PHE 123 Ca 0.15 -2.88 -0.13 0.00 0.12 0.00 0.00 56.93 54.19 1wbf s PHE 123 Cb -0.11 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 1wbf s PHE 123 CO 0.06 -0.87 0.26 0.34 -0.10 0.00 0.00 175.22 174.91 1wbf s ASP 124 N 0.57 6.29 0.00 1.36 -1.08 -0.60 -2.03 116.67 121.17 1wbf s ASP 124 Ca 0.13 0.32 0.09 0.00 -0.52 0.00 0.00 52.55 52.58 1wbf s ASP 124 Cb -0.21 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1wbf s ASP 124 CO -0.07 0.04 0.59 0.35 0.52 0.00 0.00 175.17 176.61 1wbf n THR 125 N 4.08 0.00 -4.91 1.71 -2.24 -0.80 -2.52 114.28 109.60 1wbf n THR 125 Ca -0.12 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 1wbf n THR 125 Cb 0.52 1.10 -0.17 0.00 -2.10 0.00 0.00 70.33 69.68 1wbf n THR 125 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1wbf s PHE 126 N -1.33 2.13 -0.82 4.78 5.36 -1.22 -4.65 117.98 122.23 1wbf s PHE 126 Ca 0.07 -0.87 -0.20 0.00 -0.96 0.00 0.00 56.93 54.97 1wbf s PHE 126 Cb 0.07 -1.47 0.10 0.00 -0.34 0.00 0.00 43.02 41.39 1wbf s PHE 126 CO 0.24 -0.38 1.07 0.50 -1.46 0.00 0.00 175.22 175.19 1wbf s ARG 127 N 0.53 3.39 1.12 10.12 3.52 -1.26 -4.99 118.95 131.38 1wbf s ARG 127 Ca -0.16 -1.35 -0.19 0.00 -0.13 0.00 0.00 55.73 53.90 1wbf s ARG 127 Cb -0.17 -4.66 0.27 0.00 -1.56 0.00 0.00 34.95 28.83 1wbf s ARG 127 CO 0.06 -1.81 1.24 -0.80 -0.81 0.00 0.00 175.30 173.18 1wbf s ASN 128 N 3.73 1.72 0.40 -2.12 -0.87 -1.26 -4.90 114.94 111.64 1wbf s ASN 128 Ca 0.29 0.31 0.12 0.00 -1.57 0.00 0.00 52.86 52.01 1wbf s ASN 128 Cb -0.10 -0.34 0.83 0.00 -0.02 0.00 0.00 41.25 41.62 1wbf s ASN 128 CO -0.01 -3.60 1.91 0.71 -2.57 0.00 0.00 177.10 173.53 1wbf h THR 129 N -2.23 1.19 -0.38 1.60 1.35 -2.01 -2.47 112.91 109.96 1wbf h THR 129 Ca -0.43 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1wbf h THR 129 Cb 1.24 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1wbf h THR 129 CO 0.30 0.26 0.00 -2.67 -0.25 0.00 0.00 175.52 173.16 1wbf n TRP 130 N -4.23 1.30 -4.38 4.73 2.14 -1.26 -4.92 117.44 110.82 1wbf n TRP 130 Ca -0.02 -0.46 -0.28 0.00 2.07 0.00 0.00 57.50 58.82 1wbf n TRP 130 Cb 0.31 -0.34 -0.13 0.00 -0.81 0.00 0.00 31.31 30.34 1wbf n TRP 130 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1wbf s ASP 131 N -0.53 3.24 0.70 -0.67 1.01 -0.93 -4.81 116.67 114.67 1wbf s ASP 131 Ca 0.35 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 1wbf s ASP 131 Cb 0.26 -0.21 0.12 0.00 1.01 0.00 0.00 42.92 44.09 1wbf s ASP 131 CO 0.11 0.15 0.97 -2.16 0.21 0.00 0.00 175.17 174.45 1wbf s PRO 132 N -2.15 1.78 0.06 8.23 0.04 -1.26 -4.77 135.00 136.93 1wbf s PRO 132 Ca 0.14 -1.06 -0.37 0.00 0.04 0.00 0.00 61.00 59.74 1wbf s PRO 132 Cb -0.10 -2.35 -0.19 0.00 0.04 0.00 0.00 34.50 31.91 1wbf s PRO 132 CO 0.06 -1.36 1.09 0.94 0.04 0.00 0.00 177.00 177.77 1wbf n GLN 133 N -2.78 0.39 -3.98 4.56 -0.06 -1.26 -4.87 117.38 109.38 1wbf n GLN 133 Ca 0.14 0.14 -0.24 0.00 -2.00 0.00 0.00 57.00 55.04 1wbf n GLN 133 Cb 0.60 -1.63 -0.03 0.00 -4.06 0.00 0.00 30.24 25.13 1wbf n GLN 133 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1wbf s ILE 134 N 0.00 5.17 0.65 1.69 -5.25 -1.26 -4.37 121.20 117.83 1wbf s ILE 134 Ca 0.85 -0.89 -0.11 0.00 -0.99 0.00 0.00 60.65 59.51 1wbf s ILE 134 Cb -1.12 -3.73 -0.01 0.00 2.95 0.00 0.00 42.46 40.55 1wbf s ILE 134 CO 0.54 -0.20 1.05 -2.84 -1.79 0.00 0.00 174.94 171.70 1wbf s PRO 135 N -3.55 3.25 0.00 0.37 0.02 -1.25 -4.94 135.00 128.90 1wbf s PRO 135 Ca 0.34 0.59 -0.28 0.00 0.02 0.00 0.00 61.00 61.67 1wbf s PRO 135 Cb -0.10 -2.06 0.07 0.00 0.02 0.00 0.00 34.50 32.42 1wbf s PRO 135 CO 0.28 -0.77 0.63 -3.38 -0.33 0.00 0.00 177.00 173.43 1wbf s HIS 136 N -3.25 -0.59 0.14 6.54 -3.43 -1.05 -1.49 115.29 112.17 1wbf s HIS 136 Ca 0.56 0.87 -0.05 0.00 -0.80 0.00 0.00 55.06 55.64 1wbf s HIS 136 Cb -0.11 0.42 -0.06 0.00 -1.43 0.00 0.00 32.58 31.40 1wbf s HIS 136 CO 0.53 -0.65 0.38 0.42 -2.00 0.00 0.00 174.74 173.42 1wbf s ILE 137 N -1.82 5.16 -0.05 -5.38 1.01 0.36 -1.55 121.20 118.92 1wbf s ILE 137 Ca -0.08 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 1wbf s ILE 137 Cb -0.00 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1wbf s ILE 137 CO 0.04 0.04 0.24 -0.83 0.00 0.00 0.00 174.94 174.43 1wbf s GLY 138 N -2.41 -0.12 -0.20 6.18 0.00 0.27 -2.12 107.32 108.92 1wbf s GLY 138 Ca 0.41 0.41 -0.13 0.00 0.00 0.00 0.00 44.72 45.41 1wbf s GLY 138 CO 0.24 0.28 0.28 -0.42 0.00 0.00 0.00 173.10 173.48 1wbf s ILE 139 N -0.60 5.30 -0.11 0.90 1.01 -0.74 -0.85 121.20 126.10 1wbf s ILE 139 Ca -0.07 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1wbf s ILE 139 Cb -0.04 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1wbf s ILE 139 CO 0.02 0.34 -0.17 -1.81 0.00 0.00 0.00 174.94 173.32 1wbf s ASP 140 N 0.80 3.73 -0.28 3.58 1.01 0.39 -1.20 116.67 124.70 1wbf s ASP 140 Ca 0.14 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1wbf s ASP 140 Cb -0.13 -1.46 0.08 0.00 1.01 0.00 0.00 42.92 42.41 1wbf s ASP 140 CO 0.05 0.18 0.01 -0.69 0.21 0.00 0.00 175.17 174.93 1wbf s VAL 141 N 0.24 1.58 0.00 -1.27 1.01 -1.26 -1.23 120.40 119.46 1wbf s VAL 141 Ca -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1wbf s VAL 141 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1wbf s VAL 141 CO 0.06 -0.37 0.00 0.59 0.00 0.00 0.00 175.10 175.38 1wbf n ASN 142 N 4.60 0.00 -3.89 3.32 5.03 -0.11 -4.89 115.26 119.31 1wbf n ASN 142 Ca -0.05 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.30 1wbf n ASN 142 Cb 0.43 -1.50 -0.06 0.00 -1.02 0.00 0.00 39.78 37.63 1wbf n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1wbf s SER 143 N -2.38 -0.01 -0.05 6.41 0.15 -1.26 -4.89 113.70 111.67 1wbf s SER 143 Ca 0.00 -0.75 0.13 0.00 0.70 0.00 0.00 55.95 56.04 1wbf s SER 143 Cb 0.00 0.45 0.48 0.00 -1.71 0.00 0.00 66.02 65.23 1wbf s SER 143 CO 0.00 -0.89 1.36 1.33 1.20 0.00 0.00 173.24 176.23 1wbf n VAL 144 N -0.21 1.06 -3.38 4.45 0.24 -1.26 -4.54 118.33 114.69 1wbf n VAL 144 Ca -0.09 -0.76 -0.45 0.00 -2.04 0.00 0.00 64.34 61.00 1wbf n VAL 144 Cb 0.63 0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.08 1wbf n VAL 144 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wbf s ILE 145 N -1.61 5.55 0.35 1.34 1.01 -1.26 -4.96 121.20 121.62 1wbf s ILE 145 Ca 0.34 -2.95 -0.24 0.00 0.00 0.00 0.00 60.65 57.80 1wbf s ILE 145 Cb 0.21 -4.40 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 1wbf s ILE 145 CO 0.19 -1.08 0.55 -1.20 0.00 0.00 0.00 174.94 173.40 1wbf n SER 146 N 3.35 -0.89 -0.01 3.58 7.64 -1.26 -4.83 113.62 121.21 1wbf n SER 146 Ca 0.18 0.98 -0.17 0.00 1.01 0.00 0.00 58.87 60.87 1wbf n SER 146 Cb 0.43 -1.08 -0.11 0.00 -1.01 0.00 0.00 64.21 62.44 1wbf n SER 146 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wbf h THR 147 N 0.96 1.49 -4.32 0.44 1.35 -1.53 -3.46 112.91 107.84 1wbf h THR 147 Ca -0.37 -2.07 -0.55 0.00 -0.55 0.00 0.00 66.41 62.86 1wbf h THR 147 Cb 1.40 2.73 -0.29 0.00 -1.73 0.00 0.00 68.15 70.26 1wbf h THR 147 CO 0.53 0.59 -0.84 -0.54 -0.25 0.00 0.00 175.52 175.02 1wbf s LYS 148 N -3.09 1.43 0.04 4.72 -0.14 -1.26 -5.01 119.74 116.44 1wbf s LYS 148 Ca -0.14 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1wbf s LYS 148 Cb 0.02 -1.40 -0.03 0.00 -1.68 0.00 0.00 37.83 34.75 1wbf s LYS 148 CO 0.79 0.38 -0.06 0.95 -0.76 0.00 0.00 175.35 176.65 1wbf s THR 149 N -0.45 0.42 -0.09 2.17 -4.23 -1.26 -1.79 115.64 110.40 1wbf s THR 149 Ca 0.07 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1wbf s THR 149 Cb -0.07 -0.75 0.05 0.00 1.34 0.00 0.00 72.50 73.07 1wbf s THR 149 CO -0.00 -0.54 0.20 0.54 -0.54 0.00 0.00 174.62 174.27 1wbf s VAL 150 N -1.96 -0.18 0.52 2.29 0.11 -0.90 -4.99 120.40 115.29 1wbf s VAL 150 Ca -0.07 0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 1wbf s VAL 150 Cb -0.06 -0.34 -0.08 0.00 -1.53 0.00 0.00 36.38 34.38 1wbf s VAL 150 CO -0.02 0.10 0.98 -2.16 -3.33 0.00 0.00 175.10 170.68 1wbf s PRO 151 N 1.76 3.92 0.06 1.54 0.04 -1.26 -0.49 135.00 140.57 1wbf s PRO 151 Ca -0.04 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 1wbf s PRO 151 Cb -0.11 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1wbf s PRO 151 CO -0.07 -0.29 0.02 -0.59 0.04 0.00 0.00 177.00 176.11 1wbf s PHE 152 N -2.66 0.48 -0.32 0.56 -0.12 -0.55 -4.87 117.98 110.51 1wbf s PHE 152 Ca 0.58 -1.00 -0.09 0.00 -0.05 0.00 0.00 56.93 56.38 1wbf s PHE 152 Cb -0.10 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.96 1wbf s PHE 152 CO 0.33 -0.42 0.13 0.99 -0.05 0.00 0.00 175.22 176.20 1wbf s THR 153 N -3.92 4.31 0.42 -4.49 2.01 -1.26 -3.77 115.64 108.94 1wbf s THR 153 Ca 0.08 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 1wbf s THR 153 Cb 0.07 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.25 1wbf s THR 153 CO -0.09 0.02 1.25 -0.22 -0.69 0.00 0.00 174.62 174.89 1wbf s LEU 154 N 1.55 4.16 -0.72 4.42 2.96 -1.26 -4.96 118.68 124.82 1wbf s LEU 154 Ca 0.03 2.53 -0.17 0.00 -0.22 0.00 0.00 54.13 56.30 1wbf s LEU 154 Cb -0.18 -4.01 0.14 0.00 0.50 0.00 0.00 46.19 42.65 1wbf s LEU 154 CO 0.05 -0.86 0.79 -0.62 -1.32 0.00 0.00 176.35 174.38 1wbf s ASP 155 N -0.95 6.44 -0.27 3.68 2.15 -1.26 -4.99 116.67 121.47 1wbf s ASP 155 Ca 0.59 -1.95 -0.30 0.00 0.43 0.00 0.00 52.55 51.31 1wbf s ASP 155 Cb -0.35 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 39.91 1wbf s ASP 155 CO 0.44 -0.92 2.22 -3.20 -0.17 0.00 0.00 175.17 173.54 1wbf n ASN 156 N 5.59 2.85 0.00 -0.34 2.85 -1.26 -0.96 115.26 123.98 1wbf n ASN 156 Ca 0.03 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1wbf n ASN 156 Cb 0.45 -1.46 0.00 0.00 1.24 0.00 0.00 39.78 40.01 1wbf n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wbf n GLY 157 N 6.05 2.32 2.64 8.20 0.00 -0.57 -4.90 105.19 118.93 1wbf n GLY 157 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 1wbf n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbf n GLY 158 N -2.00 -1.78 3.80 -0.02 0.00 -0.13 -4.84 105.19 100.22 1wbf n GLY 158 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1wbf n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbf s ILE 159 N -2.86 5.20 -0.06 -0.61 -1.09 -1.26 -4.36 121.20 116.17 1wbf s ILE 159 Ca 0.52 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1wbf s ILE 159 Cb -0.02 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1wbf s ILE 159 CO 0.38 0.58 -0.20 0.00 -1.23 0.00 0.00 174.94 174.47 1wbf s ALA 160 N -0.69 1.77 -0.07 9.38 0.00 -0.76 -4.14 121.76 127.25 1wbf s ALA 160 Ca 0.13 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1wbf s ALA 160 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1wbf s ALA 160 CO 0.03 0.31 -0.07 -0.80 0.00 0.00 0.00 175.76 175.22 1wbf s ASN 161 N 0.06 4.63 -0.03 0.00 0.01 0.05 -1.39 114.94 118.27 1wbf s ASN 161 Ca -0.06 -0.03 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 1wbf s ASN 161 Cb -0.13 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.37 1wbf s ASN 161 CO 0.04 0.36 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.22 1wbf s VAL 162 N -0.79 0.68 -0.10 1.60 1.01 0.38 -1.22 120.40 121.96 1wbf s VAL 162 Ca 0.12 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1wbf s VAL 162 Cb -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1wbf s VAL 162 CO 0.01 0.23 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1wbf s VAL 163 N 0.47 1.85 -0.12 2.92 1.01 -0.60 -1.92 120.40 124.01 1wbf s VAL 163 Ca -0.07 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1wbf s VAL 163 Cb -0.11 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1wbf s VAL 163 CO 0.01 0.51 -0.09 -0.63 0.00 0.00 0.00 175.10 174.90 1wbf s ILE 164 N 0.48 1.11 -0.03 2.22 1.01 -0.54 -0.17 121.20 125.28 1wbf s ILE 164 Ca -0.17 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1wbf s ILE 164 Cb -0.17 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1wbf s ILE 164 CO 0.07 0.38 -0.22 -0.75 0.00 0.00 0.00 174.94 174.41 1wbf s LYS 165 N 1.68 2.02 -0.17 2.79 2.20 -0.47 -1.41 119.74 126.37 1wbf s LYS 165 Ca 0.05 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1wbf s LYS 165 Cb -0.13 -1.85 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 1wbf s LYS 165 CO -0.09 0.42 -0.15 -0.47 -0.36 0.00 0.00 175.35 174.71 1wbf s TYR 166 N -0.34 2.41 -0.44 4.03 5.04 -0.36 -1.29 117.35 126.39 1wbf s TYR 166 Ca 0.04 -1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 53.08 1wbf s TYR 166 Cb -0.11 -1.70 0.05 0.00 0.35 0.00 0.00 41.96 40.55 1wbf s TYR 166 CO 0.01 -0.73 0.35 0.34 -1.34 0.00 0.00 175.55 174.18 1wbf s ASP 167 N 1.41 6.12 0.18 4.32 2.15 -0.92 -1.90 116.67 128.02 1wbf s ASP 167 Ca 0.03 -1.12 -0.16 0.00 0.43 0.00 0.00 52.55 51.73 1wbf s ASP 167 Cb -0.14 -2.17 0.13 0.00 -0.30 0.00 0.00 42.92 40.45 1wbf s ASP 167 CO -0.11 -0.55 1.67 0.00 -0.17 0.00 0.00 175.17 176.01 1wbf h ALA 168 N 8.69 0.34 -0.73 3.66 0.00 -1.84 0.41 119.26 129.79 1wbf h ALA 168 Ca -0.28 0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1wbf h ALA 168 Cb 1.11 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1wbf h ALA 168 CO 0.81 -0.43 0.11 0.77 0.00 0.00 0.00 179.25 180.50 1wbf h SER 169 N 0.04 -0.13 0.00 0.00 0.02 -1.94 -2.60 113.55 108.94 1wbf h SER 169 Ca 0.22 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1wbf h SER 169 Cb 0.33 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1wbf h SER 169 CO -0.43 -0.10 -1.29 0.35 -1.14 0.00 0.00 176.83 174.22 1wbf n THR 170 N -5.23 0.00 -1.91 -2.27 -2.24 -1.06 -4.98 114.28 96.60 1wbf n THR 170 Ca 0.14 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1wbf n THR 170 Cb 0.46 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1wbf n THR 170 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wbf n LYS 171 N -1.72 -1.03 -3.40 -0.78 4.01 0.11 -4.91 118.16 110.43 1wbf n LYS 171 Ca 0.02 0.79 -0.38 0.00 -0.51 0.00 0.00 58.31 58.23 1wbf n LYS 171 Cb 0.40 -4.98 -0.07 0.00 -0.51 0.00 0.00 35.03 29.87 1wbf n LYS 171 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wbf s ILE 172 N -2.61 5.22 -0.34 -0.18 1.01 -1.20 -0.84 121.20 122.26 1wbf s ILE 172 Ca 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.33 1wbf s ILE 172 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1wbf s ILE 172 CO 0.00 0.31 0.14 -0.22 0.00 0.00 0.00 174.94 175.17 1wbf s LEU 173 N 0.87 4.39 -0.09 2.97 2.96 -0.20 -2.17 118.68 127.40 1wbf s LEU 173 Ca 0.21 -1.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.11 1wbf s LEU 173 Cb -0.14 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1wbf s LEU 173 CO 0.08 -0.33 -0.12 -1.38 -1.32 0.00 0.00 176.35 173.28 1wbf s HIS 174 N 1.47 2.80 -0.11 5.38 -3.43 -0.41 -2.13 115.29 118.86 1wbf s HIS 174 Ca 0.00 -0.36 0.04 0.00 -0.80 0.00 0.00 55.06 53.94 1wbf s HIS 174 Cb -0.19 -1.76 0.00 0.00 -1.43 0.00 0.00 32.58 29.20 1wbf s HIS 174 CO 0.04 0.01 -0.23 0.08 -2.00 0.00 0.00 174.74 172.64 1wbf s VAL 175 N -0.18 2.10 -0.12 -5.38 1.01 0.12 -1.37 120.40 116.58 1wbf s VAL 175 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1wbf s VAL 175 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1wbf s VAL 175 CO 0.03 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1wbf s VAL 176 N 0.42 2.75 -0.13 2.92 1.01 0.76 -2.12 120.40 126.02 1wbf s VAL 176 Ca -0.17 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1wbf s VAL 176 Cb -0.18 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1wbf s VAL 176 CO 0.07 0.54 -0.13 -0.22 0.00 0.00 0.00 175.10 175.36 1wbf s LEU 177 N 0.34 1.58 -0.02 3.92 2.96 -0.66 -1.55 118.68 125.24 1wbf s LEU 177 Ca -0.13 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1wbf s LEU 177 Cb -0.17 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 1wbf s LEU 177 CO 0.07 -0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.18 1wbf s VAL 178 N 1.41 1.38 -0.50 1.68 1.01 -0.36 -1.11 120.40 123.91 1wbf s VAL 178 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1wbf s VAL 178 Cb -0.13 -1.16 0.13 0.00 0.00 0.00 0.00 36.38 35.22 1wbf s VAL 178 CO -0.08 0.39 0.25 -0.36 0.00 0.00 0.00 175.10 175.30 1wbf s PHE 179 N -0.36 3.28 0.21 5.22 0.08 -1.03 -0.77 117.98 124.62 1wbf s PHE 179 Ca 0.05 -3.11 -0.12 0.00 0.12 0.00 0.00 56.93 53.87 1wbf s PHE 179 Cb -0.07 -2.87 0.28 0.00 -0.57 0.00 0.00 43.02 39.79 1wbf s PHE 179 CO -0.00 -0.78 1.64 -1.00 -0.10 0.00 0.00 175.22 174.98 1wbf h PRO 180 N 6.69 0.05 -0.52 0.24 0.13 -1.86 0.80 132.00 137.53 1wbf h PRO 180 Ca -0.07 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1wbf h PRO 180 Cb 0.91 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 1wbf h PRO 180 CO 0.67 0.03 0.34 0.77 -0.23 0.00 0.00 178.00 179.59 1wbf h SER 181 N 0.05 0.54 0.80 1.44 0.02 -1.95 -2.65 113.55 111.79 1wbf h SER 181 Ca 0.32 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.05 1wbf h SER 181 Cb 0.52 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1wbf h SER 181 CO -0.61 0.38 -1.31 -0.07 -1.14 0.00 0.00 176.83 174.08 1wbf h LEU 182 N 0.63 0.00 0.00 5.07 4.07 -1.76 -3.48 115.31 119.83 1wbf h LEU 182 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1wbf h LEU 182 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1wbf h LEU 182 CO -0.05 0.81 0.00 0.61 -1.08 0.00 0.00 178.44 178.73 1wbf n GLY 183 N 1.42 1.33 3.77 0.83 0.00 0.20 -5.05 105.19 107.69 1wbf n GLY 183 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1wbf n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbf s THR 184 N -2.97 3.48 -0.06 2.61 -4.23 -1.22 -4.92 115.64 108.33 1wbf s THR 184 Ca 0.00 1.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 1wbf s THR 184 Cb 0.00 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.17 1wbf s THR 184 CO 0.00 0.11 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.48 1wbf s ILE 185 N -1.48 0.80 -0.04 2.99 1.01 -1.26 -2.45 121.20 120.77 1wbf s ILE 185 Ca 0.55 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1wbf s ILE 185 Cb -0.27 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1wbf s ILE 185 CO 0.34 0.28 -0.20 -0.31 0.00 0.00 0.00 174.94 175.06 1wbf s TYR 186 N 0.88 1.90 -0.02 3.97 2.02 -0.27 -5.02 117.35 120.81 1wbf s TYR 186 Ca -0.11 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 1wbf s TYR 186 Cb -0.15 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1wbf s TYR 186 CO 0.01 -0.16 -0.14 -0.08 -1.57 0.00 0.00 175.55 173.62 1wbf s THR 187 N -0.09 1.10 -0.16 -0.71 -1.32 -1.26 -1.66 115.64 111.55 1wbf s THR 187 Ca -0.02 -0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 59.77 1wbf s THR 187 Cb -0.12 -0.94 0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1wbf s THR 187 CO 0.02 0.32 0.42 -0.51 -2.21 0.00 0.00 174.62 172.66 1wbf s ILE 188 N -0.12 -0.01 0.05 5.08 2.07 -0.90 -4.98 121.20 122.39 1wbf s ILE 188 Ca 0.01 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1wbf s ILE 188 Cb -0.08 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 1wbf s ILE 188 CO 0.00 0.02 0.11 0.00 -1.91 0.00 0.00 174.94 173.16 1wbf s ALA 189 N 0.71 -0.04 0.02 1.50 0.00 -1.26 -0.70 121.76 121.98 1wbf s ALA 189 Ca -0.04 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 1wbf s ALA 189 Cb -0.05 0.32 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1wbf s ALA 189 CO -0.05 -0.38 0.76 0.34 0.00 0.00 0.00 175.76 176.43 1wbf s ASP 190 N -2.46 -0.50 -0.13 0.00 2.15 -0.91 -4.99 116.67 109.84 1wbf s ASP 190 Ca -0.00 0.22 -0.23 0.00 0.43 0.00 0.00 52.55 52.97 1wbf s ASP 190 Cb 0.02 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1wbf s ASP 190 CO -0.07 -0.69 0.70 -0.63 -0.17 0.00 0.00 175.17 174.30 1wbf s ILE 191 N -2.60 5.01 -0.10 4.11 1.09 -1.26 -1.04 121.20 126.42 1wbf s ILE 191 Ca -0.01 1.39 -0.03 0.00 -1.10 0.00 0.00 60.65 60.89 1wbf s ILE 191 Cb -0.01 -4.02 0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1wbf s ILE 191 CO -0.04 0.17 0.08 -0.69 -0.10 0.00 0.00 174.94 174.35 1wbf s VAL 192 N 1.37 -0.10 -0.68 2.92 1.01 -0.02 -4.97 120.40 119.93 1wbf s VAL 192 Ca 0.35 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 1wbf s VAL 192 Cb -0.17 -0.34 0.09 0.00 0.00 0.00 0.00 36.38 35.96 1wbf s VAL 192 CO 0.14 -0.03 0.93 -0.62 0.00 0.00 0.00 175.10 175.52 1wbf s ASP 193 N 2.16 6.24 0.65 3.32 2.15 -1.26 -4.73 116.67 125.20 1wbf s ASP 193 Ca 0.04 -1.25 0.31 0.00 0.43 0.00 0.00 52.55 52.07 1wbf s ASP 193 Cb -0.14 -2.39 1.67 0.00 -0.30 0.00 0.00 42.92 41.76 1wbf s ASP 193 CO -0.06 -1.31 1.96 -0.07 -0.17 0.00 0.00 175.17 175.52 1wbf h LEU 194 N 10.89 0.00 -0.16 -1.34 3.38 -1.98 -2.84 115.31 123.28 1wbf h LEU 194 Ca -0.22 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.54 1wbf h LEU 194 Cb 1.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1wbf h LEU 194 CO 1.15 0.00 -0.69 0.11 0.09 0.00 0.00 178.44 179.10 1wbf h LYS 195 N 0.00 0.74 0.00 1.13 1.57 -1.91 -1.90 116.57 116.21 1wbf h LYS 195 Ca 0.03 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1wbf h LYS 195 Cb 0.68 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1wbf h LYS 195 CO -0.00 1.21 0.00 1.96 -0.57 0.00 0.00 179.45 182.05 1wbf h GLN 196 N 0.46 0.00 0.00 3.15 4.20 -1.94 -3.37 115.11 117.62 1wbf h GLN 196 Ca -0.04 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.27 1wbf h GLN 196 Cb 1.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 1wbf h GLN 196 CO 0.14 0.00 -2.33 0.28 -0.67 0.00 0.00 178.83 176.25 1wbf n VAL 197 N -2.60 1.51 -4.17 -0.54 0.31 -1.23 -5.08 118.33 106.54 1wbf n VAL 197 Ca 0.03 -0.31 -0.24 0.00 -0.01 0.00 0.00 64.34 63.81 1wbf n VAL 197 Cb 0.37 -1.94 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 1wbf n VAL 197 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wbf s LEU 198 N -7.55 3.56 0.85 7.52 1.43 -0.71 -4.80 118.68 118.98 1wbf s LEU 198 Ca -0.37 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 1wbf s LEU 198 Cb 0.13 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.33 1wbf s LEU 198 CO 0.48 0.03 1.17 -2.16 0.23 0.00 0.00 176.35 176.09 1wbf s PRO 199 N -3.41 1.61 0.34 1.29 0.04 -1.26 -4.71 135.00 128.89 1wbf s PRO 199 Ca 0.31 0.16 0.11 0.00 0.04 0.00 0.00 61.00 61.61 1wbf s PRO 199 Cb -0.08 -1.91 0.89 0.00 0.04 0.00 0.00 34.50 33.44 1wbf s PRO 199 CO 0.22 -1.85 1.78 0.93 0.04 0.00 0.00 177.00 178.11 1wbf h GLU 200 N -1.24 0.58 -6.73 4.56 5.08 -1.97 -3.42 114.58 111.44 1wbf h GLU 200 Ca -0.48 -0.04 -0.70 0.00 -1.00 0.00 0.00 59.36 57.15 1wbf h GLU 200 Cb 1.33 -0.13 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 1wbf h GLU 200 CO 0.63 0.39 -0.88 -1.12 -1.00 0.00 0.00 179.01 177.03 1wbf s SER 201 N -5.36 3.18 0.32 1.42 0.01 -1.26 -1.23 113.70 110.77 1wbf s SER 201 Ca -0.10 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.63 1wbf s SER 201 Cb 0.25 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1wbf s SER 201 CO 0.80 0.26 0.23 0.68 0.41 0.00 0.00 173.24 175.62 1wbf s VAL 202 N -0.80 0.08 0.05 3.43 -7.23 -0.69 -4.24 120.40 111.00 1wbf s VAL 202 Ca 0.12 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1wbf s VAL 202 Cb -0.10 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1wbf s VAL 202 CO 0.02 0.00 -0.21 0.20 -0.31 0.00 0.00 175.10 174.80 1wbf s ASN 203 N -3.36 3.59 0.07 4.85 0.02 -0.17 -1.93 114.94 118.01 1wbf s ASN 203 Ca 0.38 -0.50 0.08 0.00 -1.02 0.00 0.00 52.86 51.81 1wbf s ASN 203 Cb 0.03 -0.49 -0.03 0.00 0.02 0.00 0.00 41.25 40.78 1wbf s ASN 203 CO 0.23 0.25 -0.21 0.68 0.02 0.00 0.00 177.10 178.07 1wbf s VAL 204 N -0.90 1.74 -1.83 1.60 -7.23 -1.26 -2.27 120.40 110.24 1wbf s VAL 204 Ca 0.14 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1wbf s VAL 204 Cb -0.10 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1wbf s VAL 204 CO 0.04 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1wbf n GLY 205 N 1.49 -0.54 3.29 2.32 0.00 -0.97 -1.58 105.19 109.21 1wbf n GLY 205 Ca -0.18 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1wbf n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wbf s PHE 206 N -3.03 1.45 -0.04 1.61 0.40 0.22 -1.30 117.98 117.30 1wbf s PHE 206 Ca 0.00 -0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 55.55 1wbf s PHE 206 Cb 0.00 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.82 1wbf s PHE 206 CO 0.00 0.18 0.19 0.45 0.70 0.00 0.00 175.22 176.73 1wbf s SER 207 N -3.23 -0.11 0.06 1.36 0.15 -0.69 -1.26 113.70 109.98 1wbf s SER 207 Ca 0.20 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 1wbf s SER 207 Cb 0.02 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1wbf s SER 207 CO 0.03 -0.23 0.15 0.00 1.20 0.00 0.00 173.24 174.40 1wbf s ALA 208 N -0.64 -0.16 -0.01 5.45 0.00 -0.45 -0.53 121.76 125.43 1wbf s ALA 208 Ca -0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1wbf s ALA 208 Cb -0.04 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1wbf s ALA 208 CO 0.01 -0.43 0.23 0.00 0.00 0.00 0.00 175.76 175.57 1wbf s ALA 209 N -3.36 -0.56 0.27 0.00 0.00 -0.91 -1.92 121.76 115.28 1wbf s ALA 209 Ca 0.01 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.19 1wbf s ALA 209 Cb 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1wbf s ALA 209 CO -0.08 -0.23 -0.07 0.95 0.00 0.00 0.00 175.76 176.32 1wbf s THR 210 N -1.32 3.11 0.19 0.00 -4.23 -0.14 -0.27 115.64 112.97 1wbf s THR 210 Ca -0.14 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.14 1wbf s THR 210 Cb -0.06 -2.65 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1wbf s THR 210 CO 0.03 -0.38 0.16 0.61 -0.54 0.00 0.00 174.62 174.49 1wbf n GLY 211 N -0.80 -1.39 3.82 3.99 0.00 -0.87 -4.08 105.19 105.86 1wbf n GLY 211 Ca -0.06 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1wbf n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wbf s ASP 212 N -0.60 7.01 0.64 1.61 2.15 -1.26 0.03 116.67 126.25 1wbf s ASP 212 Ca 0.37 1.24 0.36 0.00 0.43 0.00 0.00 52.55 54.95 1wbf s ASP 212 Cb -0.45 -2.35 2.05 0.00 -0.30 0.00 0.00 42.92 41.87 1wbf s ASP 212 CO 0.36 0.20 2.24 1.55 -0.17 0.00 0.00 175.17 179.35 1wbf h PRO 213 N 4.12 0.00 0.00 4.34 0.13 -1.93 -0.89 132.00 137.77 1wbf h PRO 213 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wbf h PRO 213 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wbf h PRO 213 CO 0.64 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 1wbf n SER 214 N -3.37 0.00 0.07 1.44 3.41 -1.26 -0.98 113.62 112.92 1wbf n SER 214 Ca -0.02 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1wbf n SER 214 Cb 0.16 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1wbf n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbf n GLY 215 N -0.47 -1.31 2.44 5.00 0.00 -0.34 -4.97 105.19 105.54 1wbf n GLY 215 Ca 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1wbf n GLY 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wbf n LYS 216 N -2.53 -0.96 -4.01 1.61 4.76 -0.15 -4.98 118.16 111.90 1wbf n LYS 216 Ca -0.01 0.63 -0.31 0.00 -2.87 0.00 0.00 58.31 55.75 1wbf n LYS 216 Cb 0.56 -4.56 -0.15 0.00 -1.84 0.00 0.00 35.03 29.03 1wbf n LYS 216 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wbf s GLN 217 N -2.16 1.89 0.36 1.97 -1.52 -1.26 -4.98 119.66 113.95 1wbf s GLN 217 Ca 0.00 -1.30 0.26 0.00 -1.95 0.00 0.00 55.36 52.37 1wbf s GLN 217 Cb 0.00 -2.81 0.77 0.00 -0.22 0.00 0.00 33.01 30.75 1wbf s GLN 217 CO 0.00 -0.64 1.75 0.07 -0.25 0.00 0.00 175.29 176.21 1wbf h ARG 218 N 7.82 0.00 -0.56 2.91 0.11 -1.96 -3.17 114.38 119.53 1wbf h ARG 218 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1wbf h ARG 218 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1wbf h ARG 218 CO 0.45 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.61 1wbf n ASN 219 N -2.71 1.56 -4.26 0.08 3.02 -1.26 -4.47 115.26 107.23 1wbf n ASN 219 Ca 0.04 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.04 1wbf n ASN 219 Cb 0.41 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1wbf n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wbf s ALA 220 N -1.58 4.37 0.22 5.41 0.00 -1.20 -4.35 121.76 124.64 1wbf s ALA 220 Ca 0.12 -3.68 -0.22 0.00 0.00 0.00 0.00 51.96 48.18 1wbf s ALA 220 Cb 0.08 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1wbf s ALA 220 CO 0.06 -2.20 0.92 -0.08 0.00 0.00 0.00 175.76 174.46 1wbf s THR 221 N -0.87 0.00 -0.06 0.00 -1.32 -1.25 -2.05 115.64 110.09 1wbf s THR 221 Ca 0.26 -0.75 -0.31 0.00 -1.21 0.00 0.00 61.69 59.68 1wbf s THR 221 Cb -0.10 -2.41 0.12 0.00 -1.51 0.00 0.00 72.50 68.60 1wbf s THR 221 CO -0.09 0.00 1.37 -1.83 -2.21 0.00 0.00 174.62 171.86 1wbf s GLU 222 N -2.87 0.17 0.36 7.08 -1.05 -1.25 -4.03 118.70 117.11 1wbf s GLU 222 Ca 0.15 -0.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.89 1wbf s GLU 222 Cb -0.03 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 1wbf s GLU 222 CO 0.05 -0.08 0.55 0.95 0.95 0.00 0.00 175.26 177.69 1wbf s THR 223 N -2.11 4.62 -0.43 1.83 -4.23 -0.75 -4.79 115.64 109.78 1wbf s THR 223 Ca 0.21 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1wbf s THR 223 Cb 0.04 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 70.38 1wbf s THR 223 CO -0.04 -0.40 0.44 -1.00 -0.54 0.00 0.00 174.62 173.07 1wbf s HIS 224 N -2.33 0.35 -0.04 3.99 0.09 -1.25 -3.83 115.29 112.27 1wbf s HIS 224 Ca 0.43 -1.82 -0.02 0.00 -0.00 0.00 0.00 55.06 53.64 1wbf s HIS 224 Cb -0.10 -0.58 -0.04 0.00 -0.00 0.00 0.00 32.58 31.86 1wbf s HIS 224 CO 0.35 -0.95 0.10 -0.51 -0.00 0.00 0.00 174.74 173.73 1wbf s ASP 225 N 0.33 5.89 -0.11 1.40 1.01 -0.41 -2.42 116.67 122.37 1wbf s ASP 225 Ca 0.31 0.25 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 1wbf s ASP 225 Cb 0.02 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1wbf s ASP 225 CO -0.15 0.31 -0.09 -0.63 0.21 0.00 0.00 175.17 174.82 1wbf s ILE 226 N -1.14 3.46 -0.25 0.77 -1.09 -0.04 -0.50 121.20 122.40 1wbf s ILE 226 Ca 0.21 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1wbf s ILE 226 Cb -0.12 -2.44 -0.15 0.00 -1.58 0.00 0.00 42.46 38.16 1wbf s ILE 226 CO 0.11 0.55 -0.24 0.18 -1.23 0.00 0.00 174.94 174.30 1wbf n LEU 227 N 2.97 2.78 -3.75 2.97 4.32 -0.10 -1.90 117.00 124.29 1wbf n LEU 227 Ca -0.18 -0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.66 1wbf n LEU 227 Cb 0.53 -0.86 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1wbf n LEU 227 CO 0.29 0.86 0.03 -0.94 -1.22 0.00 0.00 177.39 176.40 1wbf s SER 228 N -6.61 -0.07 -0.29 -1.43 1.04 -1.25 -4.04 113.70 101.05 1wbf s SER 228 Ca -0.34 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 55.53 1wbf s SER 228 Cb 0.10 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.70 1wbf s SER 228 CO 0.56 -0.74 0.70 0.86 0.98 0.00 0.00 173.24 175.60 1wbf s TRP 229 N -3.48 -1.10 0.09 5.02 -0.00 -0.13 -2.76 118.94 116.57 1wbf s TRP 229 Ca 0.02 2.12 0.04 0.00 -0.00 0.00 0.00 56.10 58.28 1wbf s TRP 229 Cb 0.02 0.66 -0.03 0.00 -0.00 0.00 0.00 33.47 34.12 1wbf s TRP 229 CO -0.09 -0.55 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.66 1wbf s SER 230 N 1.92 1.53 -0.05 5.86 1.04 -0.57 -0.02 113.70 123.41 1wbf s SER 230 Ca -0.09 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 1wbf s SER 230 Cb -0.07 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1wbf s SER 230 CO -0.19 -0.19 0.23 0.12 0.98 0.00 0.00 173.24 174.19 1wbf s PHE 231 N -1.96 -0.16 -0.10 5.02 2.19 -0.14 -1.93 117.98 120.90 1wbf s PHE 231 Ca 0.02 0.34 -0.10 0.00 0.33 0.00 0.00 56.93 57.52 1wbf s PHE 231 Cb -0.06 0.05 0.03 0.00 -1.31 0.00 0.00 43.02 41.73 1wbf s PHE 231 CO 0.01 -0.24 0.28 0.45 1.83 0.00 0.00 175.22 177.56 1wbf s SER 232 N -0.64 -0.29 -0.07 6.13 0.15 -0.17 -1.55 113.70 117.25 1wbf s SER 232 Ca -0.07 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.01 1wbf s SER 232 Cb -0.04 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1wbf s SER 232 CO 0.02 -0.11 0.28 0.00 1.20 0.00 0.00 173.24 174.63 1wbf s ALA 233 N 0.10 -0.70 -0.11 5.45 0.00 -0.27 -0.63 121.76 125.60 1wbf s ALA 233 Ca -0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1wbf s ALA 233 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1wbf s ALA 233 CO 0.00 -0.18 -0.11 -1.54 0.00 0.00 0.00 175.76 173.93 1wbf s SER 234 N -0.44 2.24 -0.38 0.00 1.04 0.05 -1.49 113.70 114.74 1wbf s SER 234 Ca -0.05 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wbf s SER 234 Cb -0.04 -0.95 0.10 0.00 0.10 0.00 0.00 66.02 65.24 1wbf s SER 234 CO 0.02 -0.05 0.13 -0.22 0.98 0.00 0.00 173.24 174.10 1wbf s LEU 235 N 1.33 4.96 0.09 2.42 2.96 -0.21 -1.80 118.68 128.43 1wbf s LEU 235 Ca -0.01 -2.01 -0.34 0.00 -0.22 0.00 0.00 54.13 51.55 1wbf s LEU 235 Cb -0.14 -1.75 -0.16 0.00 0.50 0.00 0.00 46.19 44.65 1wbf s LEU 235 CO -0.05 -0.46 1.58 1.55 -1.32 0.00 0.00 176.35 177.65 1wbf h PRO 236 N 7.89 -0.88 -0.02 0.98 0.13 -1.91 0.38 132.00 138.56 1wbf h PRO 236 Ca -0.11 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1wbf h PRO 236 Cb 1.04 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wbf h PRO 236 CO 0.62 -0.59 0.00 0.41 -0.23 0.00 0.00 178.00 178.21