#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 -0.82 0.49 0.58 2.01 -1.26 -0.44 115.64 116.20 1wbf s THR 2 Ca 0.00 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 1wbf s THR 2 Cb 0.00 -0.17 -0.09 0.00 0.01 0.00 0.00 72.50 72.25 1wbf s THR 2 CO 0.00 -0.15 0.98 -0.51 -0.69 0.00 0.00 174.62 174.25 1wbf s ILE 3 N 1.68 4.36 -0.28 1.82 2.07 -0.83 -4.91 121.20 125.12 1wbf s ILE 3 Ca 0.17 1.27 -0.22 0.00 -1.41 0.00 0.00 60.65 60.46 1wbf s ILE 3 Cb -0.07 -3.63 0.08 0.00 0.13 0.00 0.00 42.46 38.98 1wbf s ILE 3 CO -0.06 -0.52 0.74 -0.55 -1.91 0.00 0.00 174.94 172.65 1wbf s SER 4 N -2.67 -0.79 0.09 4.50 0.15 -1.26 -1.81 113.70 111.92 1wbf s SER 4 Ca 0.61 1.40 -0.15 0.00 0.70 0.00 0.00 55.95 58.51 1wbf s SER 4 Cb -0.11 1.39 0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1wbf s SER 4 CO 0.25 -0.23 0.37 0.72 1.20 0.00 0.00 173.24 175.54 1wbf s PHE 5 N 0.84 -0.17 -0.18 3.44 -0.12 -0.29 -5.00 117.98 116.51 1wbf s PHE 5 Ca -0.04 -0.07 -0.16 0.00 -0.05 0.00 0.00 56.93 56.62 1wbf s PHE 5 Cb -0.05 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1wbf s PHE 5 CO -0.07 -0.63 0.48 1.21 -0.05 0.00 0.00 175.22 176.16 1wbf s ASN 6 N -2.52 -0.52 -0.22 1.98 2.47 -1.26 -0.72 114.94 114.15 1wbf s ASN 6 Ca 0.00 0.98 -0.01 0.00 0.42 0.00 0.00 52.86 54.26 1wbf s ASN 6 Cb 0.01 0.98 0.06 0.00 -1.45 0.00 0.00 41.25 40.85 1wbf s ASN 6 CO -0.08 -0.17 -0.02 -0.36 -3.72 0.00 0.00 177.10 172.74 1wbf s PHE 7 N 0.45 1.89 0.28 0.43 0.08 0.23 -4.97 117.98 116.36 1wbf s PHE 7 Ca -0.02 -1.43 0.10 0.00 0.12 0.00 0.00 56.93 55.71 1wbf s PHE 7 Cb -0.04 -1.38 0.37 0.00 -0.57 0.00 0.00 43.02 41.40 1wbf s PHE 7 CO -0.02 -0.72 1.62 -0.91 -0.10 0.00 0.00 175.22 175.10 1wbf h ASN 8 N 8.06 0.02 -4.67 1.36 4.21 -1.89 -1.32 115.58 121.35 1wbf h ASN 8 Ca -0.17 -0.01 0.06 0.00 1.21 0.00 0.00 56.30 57.39 1wbf h ASN 8 Cb 1.09 -0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.12 1wbf h ASN 8 CO 0.39 0.61 0.41 -1.10 -1.29 0.00 0.00 177.43 176.45 1wbf s GLN 9 N -3.66 0.90 -0.12 0.81 1.11 -1.26 -4.44 119.66 113.01 1wbf s GLN 9 Ca -0.02 -0.21 -0.14 0.00 0.01 0.00 0.00 55.36 55.00 1wbf s GLN 9 Cb 0.13 0.42 -0.05 0.00 -1.01 0.00 0.00 33.01 32.50 1wbf s GLN 9 CO 0.76 -0.37 0.33 -0.06 0.01 0.00 0.00 175.29 175.96 1wbf s PHE 10 N -2.75 3.53 -0.13 0.91 0.08 -0.27 -5.04 117.98 114.31 1wbf s PHE 10 Ca 0.02 0.71 -0.04 0.00 0.12 0.00 0.00 56.93 57.74 1wbf s PHE 10 Cb -0.01 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1wbf s PHE 10 CO -0.06 0.35 0.02 -1.01 -0.10 0.00 0.00 175.22 174.41 1wbf s HIS 11 N 0.07 3.18 0.28 0.36 3.76 -1.26 -4.14 115.29 117.53 1wbf s HIS 11 Ca 0.19 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 1wbf s HIS 11 Cb -0.14 -1.92 -0.13 0.00 1.11 0.00 0.00 32.58 31.50 1wbf s HIS 11 CO 0.07 0.27 1.39 1.04 -0.85 0.00 0.00 174.74 176.66 1wbf n GLN 12 N 2.86 2.13 -0.73 1.40 6.02 -1.26 -1.81 117.38 125.98 1wbf n GLN 12 Ca -0.18 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1wbf n GLN 12 Cb 0.53 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1wbf n GLN 12 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wbf n ASN 13 N 1.72 -2.20 -4.55 1.08 3.02 -1.26 -4.99 115.26 108.09 1wbf n ASN 13 Ca 0.09 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.12 1wbf n ASN 13 Cb 0.33 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1wbf n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1wbf n GLU 14 N -2.73 1.28 0.11 3.52 4.07 -0.75 -4.84 120.64 121.30 1wbf n GLU 14 Ca 0.00 0.41 -0.03 0.00 -0.06 0.00 0.00 57.16 57.47 1wbf n GLU 14 Cb 0.00 -2.41 0.08 0.00 -0.06 0.00 0.00 31.44 29.05 1wbf n GLU 14 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1wbf h GLU 15 N 10.65 0.03 -0.00 5.31 4.11 -1.94 -3.22 114.58 129.52 1wbf h GLU 15 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1wbf h GLU 15 Cb 1.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wbf h GLU 15 CO 0.99 0.75 -0.07 1.04 0.07 0.00 0.00 179.01 181.79 1wbf n GLN 16 N -3.69 0.28 -3.32 1.06 6.02 -1.26 -4.81 117.38 111.66 1wbf n GLN 16 Ca -0.01 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.75 1wbf n GLN 16 Cb 0.71 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 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 -2.75 3.51 -0.30 1.08 1.43 -1.22 -0.71 118.68 119.73 1wbf s LEU 17 Ca 0.22 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1wbf s LEU 17 Cb 0.20 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 44.25 1wbf s LEU 17 CO 0.51 -0.70 0.38 -0.75 0.23 0.00 0.00 176.35 176.02 1wbf s LYS 18 N -4.23 0.41 0.40 1.70 2.20 0.75 -4.54 119.74 116.42 1wbf s LYS 18 Ca 0.51 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1wbf s LYS 18 Cb -0.06 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.77 1wbf s LYS 18 CO 0.30 -1.05 0.83 -0.51 -0.36 0.00 0.00 175.35 174.57 1wbf s LEU 19 N 2.44 3.91 0.02 5.43 2.01 -1.26 -0.96 118.68 130.27 1wbf s LEU 19 Ca 0.10 1.39 0.01 0.00 0.01 0.00 0.00 54.13 55.63 1wbf s LEU 19 Cb -0.13 -4.24 -0.01 0.00 0.01 0.00 0.00 46.19 41.82 1wbf s LEU 19 CO -0.29 -0.35 -0.03 -1.10 1.01 0.00 0.00 176.35 175.58 1wbf s GLN 20 N -3.41 0.28 7.72 1.70 -0.21 0.69 -4.97 119.66 121.46 1wbf s GLN 20 Ca 0.56 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1wbf s GLN 20 Cb -0.10 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1wbf s GLN 20 CO 0.22 -0.00 0.00 0.54 -2.12 0.00 0.00 175.29 173.93 1wbf n ARG 21 N 2.11 0.00 0.20 2.91 5.12 -1.26 -1.54 116.66 124.20 1wbf n ARG 21 Ca -0.19 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.82 1wbf n ARG 21 Cb 0.57 0.00 0.28 0.00 -1.16 0.00 0.00 32.46 32.15 1wbf n ARG 21 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1wbf h ASP 22 N 0.41 0.00 -2.01 0.55 3.32 -1.50 -3.47 116.42 113.71 1wbf h ASP 22 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1wbf h ASP 22 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1wbf h ASP 22 CO 0.00 0.23 0.18 0.00 -1.72 0.00 0.00 179.24 177.94 1wbf n ALA 23 N -2.18 -0.79 -3.41 3.45 0.00 -1.17 -4.69 120.51 111.73 1wbf n ALA 23 Ca 0.02 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1wbf n ALA 23 Cb 0.53 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.72 1.29 -0.22 0.00 1.70 -0.37 -4.61 118.95 116.02 1wbf s ARG 24 Ca 0.69 -0.52 -0.08 0.00 -0.47 0.00 0.00 55.73 55.35 1wbf s ARG 24 Cb -0.82 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.10 1wbf s ARG 24 CO 0.54 -0.56 0.10 0.42 -1.08 0.00 0.00 175.30 174.72 1wbf s ILE 25 N -3.76 4.83 0.86 4.99 1.01 -1.26 -0.17 121.20 127.70 1wbf s ILE 25 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 1wbf s ILE 25 Cb -0.01 -3.23 0.16 0.00 0.01 0.00 0.00 42.46 39.39 1wbf s ILE 25 CO -0.12 0.38 1.19 -0.94 0.00 0.00 0.00 174.94 175.45 1wbf s SER 26 N 1.03 3.69 0.31 3.58 1.04 0.07 -4.83 113.70 118.59 1wbf s SER 26 Ca 0.05 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.63 1wbf s SER 26 Cb -0.14 -0.33 0.53 0.00 0.10 0.00 0.00 66.02 66.18 1wbf s SER 26 CO 0.04 -2.34 1.82 0.77 0.98 0.00 0.00 173.24 174.50 1wbf h SER 27 N -1.20 0.50 0.12 7.02 4.64 -1.96 -1.98 113.55 120.70 1wbf h SER 27 Ca -0.42 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1wbf h SER 27 Cb 1.26 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1wbf h SER 27 CO 0.42 0.63 0.00 0.59 -0.87 0.00 0.00 176.83 177.60 1wbf n ASN 28 N -4.22 0.00 0.00 4.97 4.13 -1.26 -4.87 115.26 114.01 1wbf n ASN 28 Ca 0.01 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.72 1wbf n ASN 28 Cb 0.30 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1wbf n ASN 28 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wbf n SER 29 N -1.08 -1.98 -4.90 6.41 3.41 -0.74 -4.96 113.62 109.77 1wbf n SER 29 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 1wbf n SER 29 Cb 0.11 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 1wbf n SER 29 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wbf s VAL 30 N -2.00 5.43 -0.46 -3.33 1.01 -1.26 -1.12 120.40 118.68 1wbf s VAL 30 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 1wbf s VAL 30 Cb 0.00 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1wbf s VAL 30 CO 0.00 0.32 0.35 -0.22 0.00 0.00 0.00 175.10 175.55 1wbf s LEU 31 N -1.94 5.48 -0.42 3.92 2.96 -0.87 -0.75 118.68 127.05 1wbf s LEU 31 Ca 0.28 -1.43 -0.22 0.00 -0.22 0.00 0.00 54.13 52.54 1wbf s LEU 31 Cb -0.13 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1wbf s LEU 31 CO 0.19 -0.62 0.74 -1.61 -1.32 0.00 0.00 176.35 173.73 1wbf s GLU 32 N 1.55 3.49 0.19 1.98 2.02 0.76 -1.03 118.70 127.66 1wbf s GLU 32 Ca 0.04 -0.05 -0.06 0.00 0.02 0.00 0.00 54.97 54.91 1wbf s GLU 32 Cb -0.24 -3.90 0.11 0.00 0.10 0.00 0.00 34.13 30.20 1wbf s GLU 32 CO 0.05 -0.99 1.58 -0.07 0.02 0.00 0.00 175.26 175.85 1wbf h LEU 33 N 9.86 0.85 -9.12 1.80 3.38 -1.41 -0.97 115.31 119.71 1wbf h LEU 33 Ca -0.25 -0.34 -0.57 0.00 0.09 0.00 0.00 57.88 56.81 1wbf h LEU 33 Cb 1.09 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 1wbf h LEU 33 CO 0.92 1.07 -0.76 0.42 0.09 0.00 0.00 178.44 180.18 1wbf s THR 34 N -4.54 2.29 0.21 0.22 -4.23 -1.26 -3.00 115.64 105.33 1wbf s THR 34 Ca -0.10 -2.33 -0.32 0.00 -1.18 0.00 0.00 61.69 57.76 1wbf s THR 34 Cb 0.12 -2.22 -0.13 0.00 1.34 0.00 0.00 72.50 71.61 1wbf s THR 34 CO 0.85 -0.43 1.57 0.29 -0.54 0.00 0.00 174.62 176.37 1wbf n LYS 35 N -0.49 2.33 -3.63 3.99 4.76 -1.26 -4.76 118.16 119.09 1wbf n LYS 35 Ca -0.06 0.84 -0.20 0.00 -2.87 0.00 0.00 58.31 56.02 1wbf n LYS 35 Cb 0.60 -2.60 -0.16 0.00 -1.84 0.00 0.00 35.03 31.03 1wbf n LYS 35 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1wbf s VAL 36 N 0.62 -0.19 -0.31 -0.18 -7.23 -1.26 -1.62 120.40 110.23 1wbf s VAL 36 Ca 0.74 0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 61.01 1wbf s VAL 36 Cb -0.61 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1wbf s VAL 36 CO 0.41 0.02 0.16 0.68 -0.31 0.00 0.00 175.10 176.06 1wbf s VAL 37 N 2.23 4.64 -1.34 1.32 -7.23 0.13 -4.59 120.40 115.56 1wbf s VAL 37 Ca 0.04 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 1wbf s VAL 37 Cb -0.13 -3.37 -0.00 0.00 0.56 0.00 0.00 36.38 33.44 1wbf s VAL 37 CO -0.06 0.06 0.59 -3.20 -0.31 0.00 0.00 175.10 172.17 1wbf n ASN 38 N 4.99 -0.92 0.00 4.85 5.15 -1.26 -1.60 115.26 126.47 1wbf n ASN 38 Ca -0.14 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1wbf n ASN 38 Cb 0.49 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.09 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 -1.74 2.35 3.39 8.20 0.00 -1.26 -5.00 105.19 111.13 1wbf n GLY 39 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.32 4.15 0.09 1.61 1.01 -0.62 -5.07 120.40 118.24 1wbf s VAL 40 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1wbf s VAL 40 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1wbf s VAL 40 CO 0.00 0.17 1.25 -2.16 0.00 0.00 0.00 175.10 174.36 1wbf s PRO 41 N 1.55 4.40 0.12 2.72 0.04 -1.26 -0.69 135.00 141.88 1wbf s PRO 41 Ca 0.04 1.86 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1wbf s PRO 41 Cb -0.16 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1wbf s PRO 41 CO 0.03 -0.30 0.13 0.95 0.04 0.00 0.00 177.00 177.86 1wbf s THR 42 N 0.99 4.68 0.30 1.26 -4.23 -0.64 -4.71 115.64 113.29 1wbf s THR 42 Ca 0.60 -0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1wbf s THR 42 Cb -0.32 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.27 1wbf s THR 42 CO 0.30 0.02 0.26 -2.67 -0.54 0.00 0.00 174.62 171.98 1wbf n TRP 43 N 0.03 -3.11 -4.29 3.99 4.27 -1.26 -4.32 117.44 112.75 1wbf n TRP 43 Ca -0.08 -0.23 -0.36 0.00 -3.89 0.00 0.00 57.50 52.93 1wbf n TRP 43 Cb 0.53 -0.28 -0.05 0.00 -1.36 0.00 0.00 31.31 30.15 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 -3.48 -2.16 -4.33 -0.67 5.15 0.85 -4.91 115.26 105.71 1wbf n ASN 44 Ca 0.04 -1.10 -0.28 0.00 -0.60 0.00 0.00 54.58 52.63 1wbf n ASN 44 Cb 0.14 -2.37 -0.14 0.00 -0.53 0.00 0.00 39.78 36.88 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 -3.51 3.02 -0.13 1.20 0.15 -1.26 -4.99 113.70 108.18 1wbf s SER 45 Ca 0.61 -0.63 -0.09 0.00 0.70 0.00 0.00 55.95 56.54 1wbf s SER 45 Cb -0.34 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1wbf s SER 45 CO 0.96 0.20 0.33 -0.89 1.20 0.00 0.00 173.24 175.04 1wbf s THR 46 N -0.90 -0.02 0.08 6.45 2.01 -1.26 -0.94 115.64 121.06 1wbf s THR 46 Ca 0.11 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 1wbf s THR 46 Cb -0.10 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1wbf s THR 46 CO 0.03 0.03 0.40 -0.83 -0.69 0.00 0.00 174.62 173.55 1wbf s GLY 47 N 0.83 -0.26 -0.02 4.40 0.00 -1.03 -1.40 107.32 109.84 1wbf s GLY 47 Ca -0.05 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.71 1wbf s GLY 47 CO -0.06 -0.13 0.17 0.50 0.00 0.00 0.00 173.10 173.58 1wbf s ARG 48 N -3.05 0.43 -0.08 2.90 0.52 -0.59 -2.44 118.95 116.64 1wbf s ARG 48 Ca -0.02 -0.19 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1wbf s ARG 48 Cb 0.00 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.69 1wbf s ARG 48 CO -0.07 -0.10 -0.04 0.00 0.02 0.00 0.00 175.30 175.12 1wbf s ALA 49 N -0.96 0.94 0.07 2.13 0.00 -0.91 -0.22 121.76 122.82 1wbf s ALA 49 Ca -0.10 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.67 1wbf s ALA 49 Cb -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1wbf s ALA 49 CO 0.02 -0.31 -0.21 -0.51 0.00 0.00 0.00 175.76 174.75 1wbf s LEU 50 N 1.58 2.24 0.07 0.00 1.43 -0.13 -1.22 118.68 122.64 1wbf s LEU 50 Ca 0.00 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.19 1wbf s LEU 50 Cb -0.13 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.11 1wbf s LEU 50 CO -0.04 0.10 1.28 -0.47 0.23 0.00 0.00 176.35 177.45 1wbf s TYR 51 N -0.99 3.31 0.18 0.29 5.04 -0.83 -0.18 117.35 124.17 1wbf s TYR 51 Ca 0.07 1.14 -0.21 0.00 -2.44 0.00 0.00 57.07 55.63 1wbf s TYR 51 Cb -0.09 -3.53 0.11 0.00 0.35 0.00 0.00 41.96 38.80 1wbf s TYR 51 CO 0.03 -1.76 1.60 0.00 -1.34 0.00 0.00 175.55 174.08 1wbf h ALA 52 N 6.91 -0.03 -2.67 3.97 0.00 -1.16 -3.43 119.26 122.86 1wbf h ALA 52 Ca -0.41 0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.10 1wbf h ALA 52 Cb 1.21 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1wbf h ALA 52 CO 0.84 -0.66 0.05 0.15 0.00 0.00 0.00 179.25 179.63 1wbf s LYS 53 N -6.03 4.29 0.31 0.00 1.02 -1.26 -5.06 119.74 113.01 1wbf s LYS 53 Ca -0.14 0.85 -0.27 0.00 0.02 0.00 0.00 55.97 56.43 1wbf s LYS 53 Cb 0.15 -3.15 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1wbf s LYS 53 CO 0.69 0.56 1.01 -1.25 -0.92 0.00 0.00 175.35 175.45 1wbf s PRO 54 N -1.36 4.57 -0.06 -1.68 0.04 -1.26 -4.85 135.00 130.41 1wbf s PRO 54 Ca 0.34 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 1wbf s PRO 54 Cb -0.20 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wbf s PRO 54 CO 0.21 0.22 0.07 0.14 0.04 0.00 0.00 177.00 177.68 1wbf s VAL 55 N -1.39 4.76 -0.59 -0.36 -7.23 -0.44 -4.91 120.40 110.24 1wbf s VAL 55 Ca 0.48 -0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.21 1wbf s VAL 55 Cb -0.25 -3.10 0.07 0.00 0.56 0.00 0.00 36.38 33.66 1wbf s VAL 55 CO 0.32 0.49 0.85 -1.58 -0.31 0.00 0.00 175.10 174.86 1wbf s GLN 56 N -1.31 3.15 0.18 4.82 0.74 -1.26 -1.11 119.66 124.87 1wbf s GLN 56 Ca 0.18 -0.81 0.26 0.00 0.05 0.00 0.00 55.36 55.03 1wbf s GLN 56 Cb -0.12 -4.17 0.90 0.00 1.10 0.00 0.00 33.01 30.72 1wbf s GLN 56 CO 0.08 -1.58 1.77 1.33 -0.55 0.00 0.00 175.29 176.34 1wbf n VAL 57 N 5.85 0.57 -3.80 1.34 0.24 0.56 -4.81 118.33 118.29 1wbf n VAL 57 Ca -0.04 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.09 1wbf n VAL 57 Cb 0.45 -0.70 -0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1wbf n VAL 57 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 1wbf s TRP 58 N -3.13 -0.06 -0.07 6.34 1.48 -1.18 -1.54 118.94 120.79 1wbf s TRP 58 Ca 0.10 -0.32 0.02 0.00 -1.06 0.00 0.00 56.10 54.83 1wbf s TRP 58 Cb 0.13 0.68 0.01 0.00 -1.16 0.00 0.00 33.47 33.13 1wbf s TRP 58 CO 0.53 -0.96 -0.12 0.34 -4.06 0.00 0.00 176.95 172.68 1wbf s ASP 59 N -3.07 1.78 0.10 -2.66 2.15 -0.20 -4.74 116.67 110.03 1wbf s ASP 59 Ca 0.15 -0.30 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 1wbf s ASP 59 Cb -0.02 -0.82 -0.17 0.00 -0.30 0.00 0.00 42.92 41.60 1wbf s ASP 59 CO 0.04 0.03 1.23 0.28 -0.17 0.00 0.00 175.17 176.58 1wbf h SER 60 N 7.02 0.68 -0.43 -0.34 0.02 -1.94 0.27 113.55 118.83 1wbf h SER 60 Ca -0.31 -0.57 -0.02 0.00 -0.84 0.00 0.00 61.79 60.05 1wbf h SER 60 Cb 1.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1wbf h SER 60 CO 0.47 1.38 0.18 0.71 -1.14 0.00 0.00 176.83 178.43 1wbf h THR 61 N 0.27 1.19 0.08 -2.27 1.35 -1.96 -3.29 112.91 108.28 1wbf h THR 61 Ca -0.11 -0.59 -0.37 0.00 -0.55 0.00 0.00 66.41 64.79 1wbf h THR 61 Cb 1.69 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 1wbf h THR 61 CO 0.19 0.22 -2.11 0.35 -0.25 0.00 0.00 175.52 173.92 1wbf n THR 62 N -4.63 1.68 -0.22 6.82 -2.24 -1.25 -5.00 114.28 109.44 1wbf n THR 62 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1wbf n THR 62 Cb 0.14 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 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 2.02 0.76 3.73 3.38 0.00 0.95 -5.06 105.19 110.96 1wbf n GLY 63 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.47 7.30 -0.03 1.61 0.02 -1.20 -4.80 114.94 115.37 1wbf s ASN 64 Ca 0.00 1.93 0.02 0.00 -1.02 0.00 0.00 52.86 53.78 1wbf s ASN 64 Cb 0.00 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 1wbf s ASN 64 CO 0.00 -0.25 -0.05 0.54 0.02 0.00 0.00 177.10 177.36 1wbf s VAL 65 N 0.34 3.77 0.50 1.60 0.11 -1.26 -1.03 120.40 124.42 1wbf s VAL 65 Ca 0.51 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.77 1wbf s VAL 65 Cb -0.26 -2.61 -0.08 0.00 -1.53 0.00 0.00 36.38 31.90 1wbf s VAL 65 CO 0.31 0.48 0.99 0.00 -3.33 0.00 0.00 175.10 173.56 1wbf s ALA 66 N -0.93 2.98 -0.02 1.54 0.00 -0.59 -4.77 121.76 119.97 1wbf s ALA 66 Ca 0.15 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1wbf s ALA 66 Cb -0.11 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1wbf s ALA 66 CO 0.05 -0.24 0.12 -1.12 0.00 0.00 0.00 175.76 174.57 1wbf s SER 67 N -2.64 5.96 0.10 0.00 0.01 -0.95 -4.35 113.70 111.83 1wbf s SER 67 Ca 0.62 0.24 -0.08 0.00 1.31 0.00 0.00 55.95 58.04 1wbf s SER 67 Cb -0.11 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1wbf s SER 67 CO 0.26 0.29 0.19 0.72 0.41 0.00 0.00 173.24 175.11 1wbf s PHE 68 N -1.21 0.23 -0.02 2.43 -0.12 -0.88 -0.91 117.98 117.50 1wbf s PHE 68 Ca 0.23 -0.65 -0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1wbf s PHE 68 Cb -0.12 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.19 1wbf s PHE 68 CO 0.14 -0.57 0.07 -2.00 -0.05 0.00 0.00 175.22 172.81 1wbf s GLU 69 N -3.89 0.14 -0.10 1.99 2.12 -0.06 -0.92 118.70 117.99 1wbf s GLU 69 Ca 0.08 -0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 1wbf s GLU 69 Cb 0.05 0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.53 1wbf s GLU 69 CO -0.09 -0.02 0.26 -0.08 -0.54 0.00 0.00 175.26 174.79 1wbf s THR 70 N -0.23 -0.01 -0.00 -1.70 -1.32 0.03 -1.38 115.64 111.04 1wbf s THR 70 Ca -0.03 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 1wbf s THR 70 Cb -0.02 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1wbf s THR 70 CO 0.00 0.01 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.20 1wbf s ARG 71 N 0.32 0.72 0.25 7.08 0.52 -0.82 -1.13 118.95 125.88 1wbf s ARG 71 Ca -0.01 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 1wbf s ARG 71 Cb -0.03 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1wbf s ARG 71 CO -0.01 0.19 0.54 -0.59 0.02 0.00 0.00 175.30 175.44 1wbf s PHE 72 N -0.27 0.18 -0.04 -0.53 -0.71 -0.90 -1.31 117.98 114.40 1wbf s PHE 72 Ca 0.03 -0.56 0.04 0.00 -1.04 0.00 0.00 56.93 55.40 1wbf s PHE 72 Cb -0.04 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1wbf s PHE 72 CO -0.00 -1.04 -0.15 -1.12 -1.34 0.00 0.00 175.22 171.57 1wbf s SER 73 N -2.98 1.87 0.43 1.98 0.01 -1.13 -1.01 113.70 112.88 1wbf s SER 73 Ca 0.18 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1wbf s SER 73 Cb -0.02 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 1wbf s SER 73 CO 0.07 0.13 0.12 0.72 0.41 0.00 0.00 173.24 174.69 1wbf s PHE 74 N 0.05 1.79 -0.18 2.43 -0.12 -0.69 -0.91 117.98 120.34 1wbf s PHE 74 Ca -0.03 -1.27 -0.09 0.00 -0.05 0.00 0.00 56.93 55.49 1wbf s PHE 74 Cb -0.10 -1.21 0.07 0.00 -0.63 0.00 0.00 43.02 41.14 1wbf s PHE 74 CO 0.01 -0.26 0.44 0.45 -0.05 0.00 0.00 175.22 175.81 1wbf s SER 75 N -3.66 -0.50 -0.20 1.98 0.15 -0.70 -2.01 113.70 108.76 1wbf s SER 75 Ca 0.20 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.82 1wbf s SER 75 Cb 0.02 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.31 1wbf s SER 75 CO 0.13 -0.20 -0.10 -0.63 1.20 0.00 0.00 173.24 173.63 1wbf s ILE 76 N 1.66 1.64 -0.23 6.45 1.01 -1.26 -2.19 121.20 128.28 1wbf s ILE 76 Ca -0.08 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1wbf s ILE 76 Cb -0.09 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1wbf s ILE 76 CO -0.13 0.18 0.02 -0.60 0.00 0.00 0.00 174.94 174.41 1wbf s ARG 77 N 1.40 3.57 -0.54 2.79 3.52 -1.26 -1.27 118.95 127.17 1wbf s ARG 77 Ca -0.01 -0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1wbf s ARG 77 Cb -0.16 -3.17 0.14 0.00 -1.56 0.00 0.00 34.95 30.20 1wbf s ARG 77 CO -0.08 -0.13 0.39 -0.65 -0.81 0.00 0.00 175.30 174.02 1wbf s GLN 78 N 1.40 2.54 0.20 5.12 -0.21 -1.26 -1.91 119.66 125.53 1wbf s GLN 78 Ca 0.05 -2.05 -0.02 0.00 0.02 0.00 0.00 55.36 53.36 1wbf s GLN 78 Cb -0.15 -3.87 0.15 0.00 1.00 0.00 0.00 33.01 30.14 1wbf s GLN 78 CO 0.01 -1.18 1.53 -1.35 -2.12 0.00 0.00 175.29 172.19 1wbf h PRO 79 N 7.95 0.54 -4.08 2.91 0.11 -1.97 -3.39 132.00 134.08 1wbf h PRO 79 Ca -0.11 -0.32 -0.74 0.00 0.11 0.00 0.00 66.00 64.94 1wbf h PRO 79 Cb 1.03 0.03 -0.29 0.00 0.11 0.00 0.00 31.00 31.88 1wbf h PRO 79 CO 0.78 0.92 -0.27 -0.06 -0.21 0.00 0.00 178.00 179.16 1wbf s PHE 80 N -4.07 3.46 0.11 0.65 0.08 -1.26 -4.93 117.98 112.02 1wbf s PHE 80 Ca -0.07 -1.94 0.34 0.00 0.12 0.00 0.00 56.93 55.37 1wbf s PHE 80 Cb 0.12 -3.56 1.55 0.00 -0.57 0.00 0.00 43.02 40.56 1wbf s PHE 80 CO 0.83 -0.98 2.00 -1.00 -0.10 0.00 0.00 175.22 175.98 1wbf h PRO 81 N 8.18 0.00 -5.08 0.24 0.13 -1.93 -3.39 132.00 130.15 1wbf h PRO 81 Ca -0.14 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.61 1wbf h PRO 81 Cb 1.05 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.95 1wbf h PRO 81 CO 0.84 0.00 -0.77 1.03 -0.23 0.00 0.00 178.00 178.87 1wbf s ARG 82 N -3.71 0.76 0.28 0.86 3.00 -1.26 -4.20 118.95 114.67 1wbf s ARG 82 Ca -0.00 -0.80 0.14 0.00 0.00 0.00 0.00 55.73 55.07 1wbf s ARG 82 Cb 0.10 -0.70 0.24 0.00 0.00 0.00 0.00 34.95 34.58 1wbf s ARG 82 CO 0.45 0.16 1.52 -1.00 0.00 0.00 0.00 175.30 176.43 1wbf h PRO 83 N 4.63 0.00 -0.03 3.54 0.13 -1.86 -3.47 132.00 134.94 1wbf h PRO 83 Ca -0.38 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.02 1wbf h PRO 83 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 1wbf h PRO 83 CO 0.42 0.56 0.56 -3.38 -0.23 0.00 0.00 178.00 175.93 1wbf s HIS 84 N -3.17 -0.02 0.81 1.56 -3.43 -1.26 -5.11 115.29 104.66 1wbf s HIS 84 Ca 0.02 0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.21 1wbf s HIS 84 Cb 0.09 0.01 0.08 0.00 -1.43 0.00 0.00 32.58 31.34 1wbf s HIS 84 CO 0.74 -0.01 1.10 -2.14 -2.00 0.00 0.00 174.74 172.43 1wbf s PRO 85 N 2.06 1.93 -0.04 -0.38 0.02 -1.26 -3.94 135.00 133.40 1wbf s PRO 85 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 61.00 61.91 1wbf s PRO 85 Cb -0.01 -1.86 0.11 0.00 0.02 0.00 0.00 34.50 32.77 1wbf s PRO 85 CO -0.16 -1.88 1.03 0.00 -0.33 0.00 0.00 177.00 175.67 1wbf s ALA 86 N -2.86 -1.92 -0.01 -1.55 0.00 -1.26 -4.28 121.76 109.88 1wbf s ALA 86 Ca 0.62 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.68 1wbf s ALA 86 Cb -0.18 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 1wbf s ALA 86 CO 0.57 -0.74 0.11 -0.25 0.00 0.00 0.00 175.76 175.45 1wbf n ASP 87 N -0.25 3.67 0.00 0.00 8.00 0.20 -3.49 116.55 124.67 1wbf n ASP 87 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1wbf n ASP 87 Cb 0.61 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.89 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 2.23 0.95 3.21 0.44 0.00 -1.21 -2.39 105.19 108.42 1wbf n GLY 88 Ca -0.02 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 2.20 -0.01 0.99 2.34 -0.91 -2.67 118.68 120.63 1wbf s LEU 89 Ca 0.00 -1.13 -0.12 0.00 0.06 0.00 0.00 54.13 52.94 1wbf s LEU 89 Cb 0.00 -0.02 0.02 0.00 -0.56 0.00 0.00 46.19 45.62 1wbf s LEU 89 CO 0.00 -0.56 0.25 0.68 -1.06 0.00 0.00 176.35 175.66 1wbf s VAL 90 N -3.69 0.07 -0.08 1.48 -7.23 0.41 -1.14 120.40 110.21 1wbf s VAL 90 Ca 0.20 -0.56 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1wbf s VAL 90 Cb 0.06 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1wbf s VAL 90 CO 0.01 -0.31 0.19 0.12 -0.31 0.00 0.00 175.10 174.80 1wbf s PHE 91 N -1.41 3.61 0.08 2.82 5.36 -0.32 -1.73 117.98 126.39 1wbf s PHE 91 Ca -0.14 0.57 -0.17 0.00 -0.96 0.00 0.00 56.93 56.23 1wbf s PHE 91 Cb -0.06 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.68 1wbf s PHE 91 CO 0.03 0.71 0.40 -0.59 -1.46 0.00 0.00 175.22 174.30 1wbf s PHE 92 N -1.09 -0.22 -0.14 10.12 -0.71 -0.41 -1.19 117.98 124.33 1wbf s PHE 92 Ca 0.18 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.14 1wbf s PHE 92 Cb -0.13 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.92 1wbf s PHE 92 CO 0.08 -0.62 -0.14 0.42 -1.34 0.00 0.00 175.22 173.62 1wbf s ILE 93 N -3.04 1.57 0.23 -4.49 1.01 0.03 -2.22 121.20 114.29 1wbf s ILE 93 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1wbf s ILE 93 Cb 0.00 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1wbf s ILE 93 CO -0.06 0.46 0.12 0.00 0.00 0.00 0.00 174.94 175.45 1wbf s ALA 94 N 1.44 1.48 0.61 9.38 0.00 -0.83 -1.47 121.76 132.37 1wbf s ALA 94 Ca 0.04 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1wbf s ALA 94 Cb -0.13 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.18 1wbf s ALA 94 CO -0.10 -0.52 1.17 -2.14 0.00 0.00 0.00 175.76 174.17 1wbf s PRO 95 N -4.08 2.93 1.05 0.00 0.02 -1.25 -0.82 135.00 132.85 1wbf s PRO 95 Ca 0.38 1.70 -0.15 0.00 0.02 0.00 0.00 61.00 62.95 1wbf s PRO 95 Cb 0.07 -1.94 0.11 0.00 0.02 0.00 0.00 34.50 32.76 1wbf s PRO 95 CO 0.13 -1.21 0.36 -0.35 -0.33 0.00 0.00 177.00 175.60 1wbf n PRO 96 N -1.80 -1.18 -4.06 5.54 -0.04 -1.26 -3.65 135.00 128.56 1wbf n PRO 96 Ca 0.13 -0.31 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1wbf n PRO 96 Cb 0.50 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1wbf n PRO 96 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wbf n ASN 97 N -2.17 -0.17 -4.89 3.54 3.02 -1.26 -4.97 115.26 108.36 1wbf n ASN 97 Ca 0.04 -1.10 -0.29 0.00 -0.03 0.00 0.00 54.58 53.20 1wbf n ASN 97 Cb 0.57 -2.59 -0.02 0.00 -0.61 0.00 0.00 39.78 37.13 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 -4.06 4.86 0.03 3.41 -4.23 -1.24 -5.09 115.64 109.32 1wbf s THR 98 Ca 0.03 0.38 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1wbf s THR 98 Cb -0.01 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1wbf s THR 98 CO 0.92 -0.65 -0.23 -1.10 -0.54 0.00 0.00 174.62 173.03 1wbf s GLN 99 N -4.21 1.98 -0.47 3.99 -0.21 -1.26 -5.06 119.66 114.42 1wbf s GLN 99 Ca 0.49 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 1wbf s GLN 99 Cb -0.10 -2.08 -0.10 0.00 1.00 0.00 0.00 33.01 31.72 1wbf s GLN 99 CO 0.37 0.54 2.36 2.41 -2.12 0.00 0.00 175.29 178.84 1wbf n THR 100 N 1.83 0.09 0.00 -0.19 -1.04 -1.26 -4.92 114.28 108.79 1wbf n THR 100 Ca -0.17 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1wbf n THR 100 Cb 0.52 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 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 6.21 -1.41 3.76 3.41 0.00 -0.89 -4.96 105.19 111.31 1wbf n GLY 101 Ca 0.41 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1wbf n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wbf s GLU 102 N 0.00 3.26 0.00 1.61 2.56 -0.40 -4.56 118.70 121.17 1wbf s GLU 102 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 54.97 56.91 1wbf s GLU 102 Cb 0.00 -2.18 0.00 0.00 2.00 0.00 0.00 34.13 33.95 1wbf s GLU 102 CO 0.00 -1.00 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 1wbf n GLY 103 N 0.56 1.21 7.00 -1.50 0.00 -1.26 -0.30 105.19 110.90 1wbf n GLY 103 Ca 0.11 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 2.44 0.00 -0.02 0.00 -1.26 -2.51 105.19 108.85 1wbf n GLY 104 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.53 0.50 -0.02 0.00 -1.26 -1.88 105.19 102.01 1wbf n GLY 105 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.54 0.00 -0.91 1.61 4.01 -1.04 -4.98 117.16 115.31 1wbf n TYR 106 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 1wbf n TYR 106 Cb 0.00 0.00 -0.01 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 0.18 -0.02 -0.82 -0.72 3.72 -0.79 -1.40 117.46 117.62 1wbf n PHE 107 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1wbf n PHE 107 Cb 0.42 -1.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 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 0.67 0.56 0.73 1.37 0.00 0.59 -3.05 105.19 106.05 1wbf n GLY 108 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.82 0.05 -2.84 -0.61 -5.35 -0.49 -2.09 119.36 105.22 1wbf n ILE 109 Ca 0.00 -0.01 -0.37 0.00 -0.27 0.00 0.00 62.75 62.10 1wbf n ILE 109 Cb 0.00 -1.26 -0.06 0.00 -1.74 0.00 0.00 39.64 36.57 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 -2.02 3.67 -0.32 4.28 5.04 -0.94 -4.46 117.35 122.61 1wbf s TYR 110 Ca -0.01 1.71 0.02 0.00 -2.44 0.00 0.00 57.07 56.34 1wbf s TYR 110 Cb 0.00 -2.87 0.15 0.00 0.35 0.00 0.00 41.96 39.60 1wbf s TYR 110 CO 0.02 0.22 0.36 1.21 -1.34 0.00 0.00 175.55 176.01 1wbf s ASN 111 N -1.65 1.15 0.42 4.32 2.47 -1.26 -1.28 114.94 119.12 1wbf s ASN 111 Ca 0.49 -0.96 0.17 0.00 0.42 0.00 0.00 52.86 52.98 1wbf s ASN 111 Cb -0.18 0.69 1.07 0.00 -1.45 0.00 0.00 41.25 41.38 1wbf s ASN 111 CO 0.23 -0.33 1.89 -0.65 -3.72 0.00 0.00 177.10 174.52 1wbf h PRO 112 N 7.81 0.40 0.00 0.43 0.11 -2.00 -2.36 132.00 136.38 1wbf h PRO 112 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1wbf h PRO 112 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wbf h PRO 112 CO 0.27 0.26 0.00 -0.07 -0.21 0.00 0.00 178.00 178.25 1wbf h LEU 113 N 0.41 0.00 -5.59 2.35 3.38 -2.05 -3.37 115.31 110.44 1wbf h LEU 113 Ca 0.41 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.98 1wbf h LEU 113 Cb 0.98 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.44 1wbf h LEU 113 CO -0.14 0.00 -0.88 -0.24 0.09 0.00 0.00 178.44 177.27 1wbf n SER 114 N -2.39 -0.70 -4.60 -0.43 2.88 -0.91 -5.14 113.62 102.33 1wbf n SER 114 Ca 0.05 -3.17 -0.37 0.00 -1.33 0.00 0.00 58.87 54.06 1wbf n SER 114 Cb 0.44 0.41 0.07 0.00 -0.75 0.00 0.00 64.21 64.38 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 0.75 0.67 -3.64 -1.46 -0.02 -1.06 -4.82 135.00 125.42 1wbf n PRO 115 Ca 0.17 0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 1wbf n PRO 115 Cb 0.64 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.67 -0.19 0.33 6.00 -0.85 -1.26 -5.11 117.35 114.60 1wbf s TYR 116 Ca 0.74 -0.12 -0.25 0.00 -0.52 0.00 0.00 57.07 56.92 1wbf s TYR 116 Cb -0.38 0.28 -0.10 0.00 0.38 0.00 0.00 41.96 42.13 1wbf s TYR 116 CO 0.49 -0.73 0.93 -1.25 -1.52 0.00 0.00 175.55 173.47 1wbf s PRO 117 N -3.81 4.51 0.01 -3.49 0.04 -1.26 -4.89 135.00 126.11 1wbf s PRO 117 Ca 0.04 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1wbf s PRO 117 Cb 0.02 -2.72 0.07 0.00 0.04 0.00 0.00 34.50 31.91 1wbf s PRO 117 CO -0.11 0.24 0.67 -0.59 0.04 0.00 0.00 177.00 177.26 1wbf s PHE 118 N -1.69 -0.60 -0.09 0.56 -0.12 -1.26 -3.89 117.98 110.88 1wbf s PHE 118 Ca 0.51 0.83 0.03 0.00 -0.05 0.00 0.00 56.93 58.26 1wbf s PHE 118 Cb -0.17 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1wbf s PHE 118 CO 0.22 -0.67 -0.20 0.08 -0.05 0.00 0.00 175.22 174.60 1wbf s VAL 119 N -2.05 1.73 0.05 -2.49 1.01 -0.54 -0.61 120.40 117.50 1wbf s VAL 119 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1wbf s VAL 119 Cb -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1wbf s VAL 119 CO 0.02 0.49 0.20 0.00 0.00 0.00 0.00 175.10 175.81 1wbf s ALA 120 N 0.50 -0.36 -0.19 5.51 0.00 0.08 -0.79 121.76 126.51 1wbf s ALA 120 Ca -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1wbf s ALA 120 Cb -0.17 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wbf s ALA 120 CO 0.06 -0.40 -0.17 0.08 0.00 0.00 0.00 175.76 175.33 1wbf s VAL 121 N -2.88 2.30 0.26 0.00 1.01 -0.33 -0.12 120.40 120.65 1wbf s VAL 121 Ca -0.03 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1wbf s VAL 121 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1wbf s VAL 121 CO -0.06 0.52 0.22 -1.83 0.00 0.00 0.00 175.10 173.95 1wbf s GLU 122 N 1.32 2.93 -0.33 2.72 -1.05 -0.28 -1.18 118.70 122.84 1wbf s GLU 122 Ca 0.05 -1.07 -0.01 0.00 -0.15 0.00 0.00 54.97 53.80 1wbf s GLU 122 Cb -0.13 -2.57 0.11 0.00 -0.44 0.00 0.00 34.13 31.09 1wbf s GLU 122 CO -0.11 0.36 0.14 -0.06 0.95 0.00 0.00 175.26 176.54 1wbf s PHE 123 N -2.15 1.50 -0.17 4.83 0.08 -0.29 -1.88 117.98 119.90 1wbf s PHE 123 Ca 0.34 -1.75 -0.13 0.00 0.12 0.00 0.00 56.93 55.52 1wbf s PHE 123 Cb -0.08 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1wbf s PHE 123 CO 0.25 -0.85 0.25 0.34 -0.10 0.00 0.00 175.22 175.11 1wbf s ASP 124 N 1.41 6.38 0.00 1.36 -1.08 -0.64 -2.13 116.67 121.96 1wbf s ASP 124 Ca 0.12 0.44 0.09 0.00 -0.52 0.00 0.00 52.55 52.67 1wbf s ASP 124 Cb -0.19 -2.16 -0.09 0.00 -1.46 0.00 0.00 42.92 39.02 1wbf s ASP 124 CO -0.20 0.12 0.39 0.35 0.52 0.00 0.00 175.17 176.35 1wbf n THR 125 N 3.56 0.00 -5.07 1.71 -2.24 -1.01 -2.45 114.28 108.77 1wbf n THR 125 Ca -0.13 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 1wbf n THR 125 Cb 0.52 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.83 2.58 -0.91 4.78 5.36 -1.23 -4.68 117.98 122.04 1wbf s PHE 126 Ca 0.04 -1.12 -0.21 0.00 -0.96 0.00 0.00 56.93 54.67 1wbf s PHE 126 Cb 0.07 -1.73 0.09 0.00 -0.34 0.00 0.00 43.02 41.11 1wbf s PHE 126 CO 0.37 -0.47 1.23 0.50 -1.46 0.00 0.00 175.22 175.39 1wbf s ARG 127 N 0.46 3.51 1.17 10.12 3.52 -1.26 -4.98 118.95 131.49 1wbf s ARG 127 Ca -0.16 -1.32 -0.19 0.00 -0.13 0.00 0.00 55.73 53.93 1wbf s ARG 127 Cb -0.17 -4.93 0.28 0.00 -1.56 0.00 0.00 34.95 28.56 1wbf s ARG 127 CO 0.06 -1.96 1.17 -0.80 -0.81 0.00 0.00 175.30 172.96 1wbf s ASN 128 N 4.12 1.26 0.43 -2.12 -0.87 -1.26 -4.89 114.94 111.61 1wbf s ASN 128 Ca 0.36 0.47 0.17 0.00 -1.57 0.00 0.00 52.86 52.30 1wbf s ASN 128 Cb -0.05 -0.61 0.98 0.00 -0.02 0.00 0.00 41.25 41.54 1wbf s ASN 128 CO -0.06 -3.90 1.93 0.71 -2.57 0.00 0.00 177.10 173.22 1wbf h THR 129 N -2.43 1.03 -0.01 1.60 1.35 -2.02 -2.42 112.91 110.01 1wbf h THR 129 Ca -0.44 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1wbf h THR 129 Cb 1.27 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1wbf h THR 129 CO 0.32 0.25 -0.17 -2.67 -0.25 0.00 0.00 175.52 173.00 1wbf n TRP 130 N -4.01 0.00 -3.74 4.73 2.14 -1.26 -4.93 117.44 110.37 1wbf n TRP 130 Ca -0.02 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.26 1wbf n TRP 130 Cb 0.33 -0.09 -0.04 0.00 -0.81 0.00 0.00 31.31 30.69 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 -2.35 6.42 0.52 -0.67 1.01 -0.91 -4.86 116.67 115.82 1wbf s ASP 131 Ca 0.29 0.44 0.05 0.00 0.71 0.00 0.00 52.55 54.04 1wbf s ASP 131 Cb 0.20 -2.03 0.04 0.00 1.01 0.00 0.00 42.92 42.14 1wbf s ASP 131 CO 0.46 0.03 0.71 -2.16 0.21 0.00 0.00 175.17 174.42 1wbf s PRO 132 N -2.94 2.54 0.07 8.23 0.04 -1.26 -4.74 135.00 136.94 1wbf s PRO 132 Ca 0.39 -1.16 -0.20 0.00 0.04 0.00 0.00 61.00 60.07 1wbf s PRO 132 Cb -0.12 -2.62 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 1wbf s PRO 132 CO 0.27 -0.62 0.45 0.94 0.04 0.00 0.00 177.00 178.08 1wbf n GLN 133 N -2.16 0.00 -4.16 4.56 -0.06 -1.26 -4.88 117.38 109.41 1wbf n GLN 133 Ca 0.10 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.85 1wbf n GLN 133 Cb 0.60 -0.73 -0.06 0.00 -4.06 0.00 0.00 30.24 25.99 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 -0.35 4.08 0.58 1.69 -5.25 -1.26 -4.37 121.20 116.32 1wbf s ILE 134 Ca 0.45 -1.39 -0.07 0.00 -0.99 0.00 0.00 60.65 58.64 1wbf s ILE 134 Cb -0.64 -3.12 -0.01 0.00 2.95 0.00 0.00 42.46 41.63 1wbf s ILE 134 CO 0.34 -0.21 0.92 -2.84 -1.79 0.00 0.00 174.94 171.36 1wbf s PRO 135 N -3.32 3.21 0.01 0.37 0.02 -1.25 -4.95 135.00 129.09 1wbf s PRO 135 Ca 0.30 0.26 -0.20 0.00 0.02 0.00 0.00 61.00 61.38 1wbf s PRO 135 Cb -0.09 -2.23 0.04 0.00 0.02 0.00 0.00 34.50 32.25 1wbf s PRO 135 CO 0.22 -0.59 0.45 -3.38 -0.33 0.00 0.00 177.00 173.37 1wbf s HIS 136 N -3.01 -0.34 0.26 6.54 -3.43 -1.03 -1.54 115.29 112.75 1wbf s HIS 136 Ca 0.53 0.44 -0.10 0.00 -0.80 0.00 0.00 55.06 55.13 1wbf s HIS 136 Cb -0.11 0.24 -0.07 0.00 -1.43 0.00 0.00 32.58 31.21 1wbf s HIS 136 CO 0.48 -0.54 0.59 0.42 -2.00 0.00 0.00 174.74 173.69 1wbf s ILE 137 N -1.92 4.89 -0.14 -5.38 1.01 0.85 -1.63 121.20 118.90 1wbf s ILE 137 Ca -0.09 0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 1wbf s ILE 137 Cb -0.02 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.86 1wbf s ILE 137 CO 0.02 -0.14 0.47 -0.83 0.00 0.00 0.00 174.94 174.46 1wbf s GLY 138 N -2.46 -0.34 -0.19 6.18 0.00 -0.79 -1.86 107.32 107.85 1wbf s GLY 138 Ca 0.48 1.16 -0.14 0.00 0.00 0.00 0.00 44.72 46.23 1wbf s GLY 138 CO 0.22 0.96 0.32 -0.42 0.00 0.00 0.00 173.10 174.17 1wbf s ILE 139 N -0.18 5.26 -0.16 0.90 1.01 -0.71 -1.12 121.20 126.20 1wbf s ILE 139 Ca -0.04 0.56 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 1wbf s ILE 139 Cb -0.03 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1wbf s ILE 139 CO 0.02 0.32 -0.14 -1.81 0.00 0.00 0.00 174.94 173.32 1wbf s ASP 140 N 0.85 3.69 -0.27 3.58 1.01 0.83 -1.20 116.67 125.18 1wbf s ASP 140 Ca 0.16 -0.47 0.03 0.00 0.71 0.00 0.00 52.55 52.98 1wbf s ASP 140 Cb -0.14 -1.58 0.06 0.00 1.01 0.00 0.00 42.92 42.28 1wbf s ASP 140 CO 0.06 0.07 -0.10 -0.69 0.21 0.00 0.00 175.17 174.72 1wbf s VAL 141 N 0.92 2.21 0.00 -1.27 1.01 -1.26 -0.74 120.40 121.26 1wbf s VAL 141 Ca -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1wbf s VAL 141 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1wbf s VAL 141 CO -0.02 -0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.61 1wbf n ASN 142 N 4.43 -0.78 -3.57 3.32 5.03 0.22 -4.87 115.26 119.03 1wbf n ASN 142 Ca -0.13 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.21 1wbf n ASN 142 Cb 0.42 -2.55 -0.03 0.00 -1.02 0.00 0.00 39.78 36.61 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 -2.03 -0.43 -0.05 6.41 0.15 -1.26 -4.87 113.70 111.62 1wbf s SER 143 Ca 0.00 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.52 1wbf s SER 143 Cb 0.00 0.60 0.32 0.00 -1.71 0.00 0.00 66.02 65.24 1wbf s SER 143 CO 0.00 -1.03 1.15 1.33 1.20 0.00 0.00 173.24 175.89 1wbf n VAL 144 N -0.37 0.81 -3.44 4.45 0.24 -1.26 -4.54 118.33 114.22 1wbf n VAL 144 Ca -0.14 -0.52 -0.44 0.00 -2.04 0.00 0.00 64.34 61.20 1wbf n VAL 144 Cb 0.63 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.67 4.90 0.33 1.34 1.01 -1.26 -4.93 121.20 120.91 1wbf s ILE 145 Ca 0.23 -2.22 -0.28 0.00 0.00 0.00 0.00 60.65 58.38 1wbf s ILE 145 Cb 0.15 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 1wbf s ILE 145 CO 0.11 -0.92 1.11 -1.20 0.00 0.00 0.00 174.94 174.05 1wbf n SER 146 N 4.34 1.83 -0.07 3.58 7.64 -1.26 -4.79 113.62 124.89 1wbf n SER 146 Ca 0.03 1.17 -0.15 0.00 1.01 0.00 0.00 58.87 60.93 1wbf n SER 146 Cb 0.43 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.13 1.30 -3.66 0.44 1.35 -1.53 -3.45 112.91 109.48 1wbf h THR 147 Ca -0.43 -1.71 -0.23 0.00 -0.55 0.00 0.00 66.41 63.49 1wbf h THR 147 Cb 1.32 1.78 -0.28 0.00 -1.73 0.00 0.00 68.15 69.23 1wbf h THR 147 CO 0.61 0.55 -0.70 -0.75 -0.25 0.00 0.00 175.52 174.97 1wbf s LYS 148 N -4.04 0.02 0.12 4.72 2.47 -1.26 -5.04 119.74 116.73 1wbf s LYS 148 Ca -0.11 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 1wbf s LYS 148 Cb 0.09 -0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.40 1wbf s LYS 148 CO 0.87 -0.02 -0.00 0.95 0.16 0.00 0.00 175.35 177.30 1wbf s THR 149 N 0.13 0.41 -0.12 3.43 -4.23 -1.26 -1.74 115.64 112.26 1wbf s THR 149 Ca -0.01 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 1wbf s THR 149 Cb -0.02 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 72.00 1wbf s THR 149 CO -0.00 -0.68 0.31 0.54 -0.54 0.00 0.00 174.62 174.24 1wbf s VAL 150 N -3.82 -0.02 0.49 2.29 0.11 -0.78 -4.98 120.40 113.69 1wbf s VAL 150 Ca 0.17 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 1wbf s VAL 150 Cb 0.07 -0.45 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 1wbf s VAL 150 CO -0.02 0.02 0.92 -2.16 -3.33 0.00 0.00 175.10 170.54 1wbf s PRO 151 N 0.69 3.88 0.01 1.54 0.04 -1.26 -0.10 135.00 139.80 1wbf s PRO 151 Ca -0.04 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1wbf s PRO 151 Cb -0.06 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1wbf s PRO 151 CO -0.04 -0.21 0.26 -0.59 0.04 0.00 0.00 177.00 176.46 1wbf s PHE 152 N -2.57 -0.08 -0.32 0.56 -0.71 -0.59 -4.85 117.98 109.41 1wbf s PHE 152 Ca 0.56 0.03 -0.11 0.00 -1.04 0.00 0.00 56.93 56.37 1wbf s PHE 152 Cb -0.10 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1wbf s PHE 152 CO 0.32 -0.41 0.19 0.99 -1.34 0.00 0.00 175.22 174.97 1wbf s THR 153 N -1.89 4.88 0.22 -4.49 2.01 -1.26 -3.81 115.64 111.29 1wbf s THR 153 Ca -0.10 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1wbf s THR 153 Cb -0.04 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1wbf s THR 153 CO 0.00 0.03 1.18 -0.22 -0.69 0.00 0.00 174.62 174.93 1wbf s LEU 154 N 1.66 4.47 -0.84 4.42 2.96 -1.26 -4.96 118.68 125.13 1wbf s LEU 154 Ca 0.05 2.29 -0.22 0.00 -0.22 0.00 0.00 54.13 56.03 1wbf s LEU 154 Cb -0.17 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 42.98 1wbf s LEU 154 CO 0.08 -0.33 1.18 -0.62 -1.32 0.00 0.00 176.35 175.34 1wbf s ASP 155 N -0.18 6.39 -0.08 3.68 2.15 -1.26 -4.96 116.67 122.41 1wbf s ASP 155 Ca 0.50 -1.34 -0.32 0.00 0.43 0.00 0.00 52.55 51.82 1wbf s ASP 155 Cb -0.33 -2.47 -0.10 0.00 -0.30 0.00 0.00 42.92 39.72 1wbf s ASP 155 CO 0.39 -1.40 1.96 -3.20 -0.17 0.00 0.00 175.17 172.75 1wbf n ASN 156 N 7.89 3.59 0.00 -0.34 2.85 -1.26 -1.20 115.26 126.79 1wbf n ASN 156 Ca 0.14 0.86 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 1wbf n ASN 156 Cb 0.48 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 40.08 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 4.68 2.57 3.04 8.20 0.00 -0.39 -4.92 105.19 118.37 1wbf n GLY 157 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.52 3.86 -0.02 0.00 -0.34 -4.84 105.19 101.33 1wbf n GLY 158 Ca 0.00 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.90 5.37 -0.06 -0.61 1.01 -1.26 -4.23 121.20 118.52 1wbf s ILE 159 Ca 0.56 0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1wbf s ILE 159 Cb -0.02 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1wbf s ILE 159 CO 0.39 0.60 -0.18 0.00 0.00 0.00 0.00 174.94 175.74 1wbf s ALA 160 N -0.95 1.66 -0.15 9.38 0.00 -0.85 -4.20 121.76 126.65 1wbf s ALA 160 Ca 0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1wbf s ALA 160 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1wbf s ALA 160 CO 0.06 0.27 0.00 -0.80 0.00 0.00 0.00 175.76 175.29 1wbf s ASN 161 N 0.16 5.14 -0.04 0.00 0.01 -0.34 -1.71 114.94 118.16 1wbf s ASN 161 Ca -0.08 -0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 1wbf s ASN 161 Cb -0.14 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 1wbf s ASN 161 CO 0.04 0.21 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.98 1wbf s VAL 162 N 0.12 1.39 -0.12 1.60 1.01 -0.18 -0.96 120.40 123.27 1wbf s VAL 162 Ca 0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1wbf s VAL 162 Cb -0.13 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1wbf s VAL 162 CO 0.02 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 1wbf s VAL 163 N 0.05 1.76 -0.16 2.92 1.01 0.21 -2.12 120.40 124.07 1wbf s VAL 163 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1wbf s VAL 163 Cb -0.11 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.73 1wbf s VAL 163 CO 0.02 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.88 1wbf s ILE 164 N 0.83 1.38 -0.02 2.22 1.01 -0.29 -0.14 121.20 126.19 1wbf s ILE 164 Ca -0.09 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 59.97 1wbf s ILE 164 Cb -0.16 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1wbf s ILE 164 CO -0.00 0.30 -0.23 -0.75 0.00 0.00 0.00 174.94 174.25 1wbf s LYS 165 N 1.54 1.90 -0.13 2.79 2.20 -0.49 -0.79 119.74 126.76 1wbf s LYS 165 Ca 0.02 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1wbf s LYS 165 Cb -0.14 -1.84 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 1wbf s LYS 165 CO -0.09 0.50 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.81 1wbf s TYR 166 N -0.55 1.89 -0.47 4.03 5.04 -0.09 -0.35 117.35 126.85 1wbf s TYR 166 Ca 0.09 -0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 53.62 1wbf s TYR 166 Cb -0.09 -1.43 0.10 0.00 0.35 0.00 0.00 41.96 40.89 1wbf s TYR 166 CO -0.01 -0.57 0.35 0.34 -1.34 0.00 0.00 175.55 174.32 1wbf s ASP 167 N 1.43 5.83 0.25 4.32 2.15 -0.69 -2.07 116.67 127.89 1wbf s ASP 167 Ca 0.02 -1.69 -0.04 0.00 0.43 0.00 0.00 52.55 51.27 1wbf s ASP 167 Cb -0.13 -2.06 0.48 0.00 -0.30 0.00 0.00 42.92 40.90 1wbf s ASP 167 CO -0.08 -0.67 1.72 0.00 -0.17 0.00 0.00 175.17 175.98 1wbf h ALA 168 N 8.56 1.08 0.00 3.66 0.00 -1.87 0.63 119.26 131.31 1wbf h ALA 168 Ca -0.24 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wbf h ALA 168 Cb 1.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wbf h ALA 168 CO 0.86 -0.23 0.17 0.77 0.00 0.00 0.00 179.25 180.83 1wbf h SER 169 N 0.43 0.00 0.00 0.00 0.02 -1.93 -2.59 113.55 109.48 1wbf h SER 169 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1wbf h SER 169 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1wbf h SER 169 CO -0.42 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.62 1wbf n THR 170 N -2.74 0.00 -2.28 -2.27 -2.24 -0.50 -5.00 114.28 99.25 1wbf n THR 170 Ca -0.02 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 1wbf n THR 170 Cb 0.22 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.31 -1.60 -3.24 -0.78 4.01 0.21 -4.87 118.16 111.58 1wbf n LYS 171 Ca 0.00 1.02 -0.39 0.00 -0.51 0.00 0.00 58.31 58.43 1wbf n LYS 171 Cb 0.03 -5.61 -0.07 0.00 -0.51 0.00 0.00 35.03 28.87 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 -2.98 5.11 -0.38 -0.18 1.01 -1.16 -0.66 121.20 121.96 1wbf s ILE 172 Ca 0.00 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 61.50 1wbf s ILE 172 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1wbf s ILE 172 CO 0.00 0.18 0.22 -0.22 0.00 0.00 0.00 174.94 175.13 1wbf s LEU 173 N 1.58 4.80 -0.11 2.97 2.96 -0.31 -1.70 118.68 128.87 1wbf s LEU 173 Ca 0.24 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1wbf s LEU 173 Cb -0.15 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1wbf s LEU 173 CO 0.10 -0.41 -0.05 -1.38 -1.32 0.00 0.00 176.35 173.29 1wbf s HIS 174 N 1.56 3.00 -0.07 5.38 -3.43 0.53 -2.45 115.29 119.81 1wbf s HIS 174 Ca 0.02 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.21 1wbf s HIS 174 Cb -0.19 -1.84 -0.01 0.00 -1.43 0.00 0.00 32.58 29.11 1wbf s HIS 174 CO 0.07 0.17 -0.23 0.08 -2.00 0.00 0.00 174.74 172.83 1wbf s VAL 175 N -0.26 2.20 -0.11 -5.38 1.01 0.63 -1.39 120.40 117.11 1wbf s VAL 175 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1wbf s VAL 175 Cb -0.13 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wbf s VAL 175 CO 0.02 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 1wbf s VAL 176 N -0.04 1.34 -0.16 2.92 1.01 0.80 -1.37 120.40 124.90 1wbf s VAL 176 Ca -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1wbf s VAL 176 Cb -0.15 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1wbf s VAL 176 CO 0.05 0.41 -0.16 -0.22 0.00 0.00 0.00 175.10 175.18 1wbf s LEU 177 N 1.16 1.85 -0.06 3.92 2.96 -0.50 -0.62 118.68 127.39 1wbf s LEU 177 Ca -0.04 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1wbf s LEU 177 Cb -0.14 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 1wbf s LEU 177 CO -0.03 -0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.03 1wbf s VAL 178 N 1.43 1.88 -0.67 1.68 1.01 -0.13 -1.63 120.40 123.97 1wbf s VAL 178 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1wbf s VAL 178 Cb -0.13 -1.60 0.17 0.00 0.00 0.00 0.00 36.38 34.82 1wbf s VAL 178 CO -0.11 0.53 0.53 -0.36 0.00 0.00 0.00 175.10 175.68 1wbf s PHE 179 N -0.05 3.52 0.24 5.22 0.08 -0.97 -1.20 117.98 124.82 1wbf s PHE 179 Ca -0.05 -2.41 -0.12 0.00 0.12 0.00 0.00 56.93 54.48 1wbf s PHE 179 Cb -0.14 -3.42 0.32 0.00 -0.57 0.00 0.00 43.02 39.22 1wbf s PHE 179 CO 0.04 -0.90 1.60 -1.35 -0.10 0.00 0.00 175.22 174.50 1wbf h PRO 180 N 7.42 -0.00 -0.46 0.24 0.11 -1.86 0.21 132.00 137.66 1wbf h PRO 180 Ca -0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1wbf h PRO 180 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1wbf h PRO 180 CO 0.74 -0.00 0.30 0.77 -0.21 0.00 0.00 178.00 179.60 1wbf h SER 181 N -0.00 0.41 0.55 -2.05 0.02 -1.94 -2.72 113.55 107.82 1wbf h SER 181 Ca 0.37 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1wbf h SER 181 Cb 0.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1wbf h SER 181 CO -0.81 0.28 -1.49 0.18 -1.14 0.00 0.00 176.83 173.85 1wbf n LEU 182 N -4.48 0.52 0.00 5.07 4.32 -0.10 -4.99 117.00 117.35 1wbf n LEU 182 Ca 0.05 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1wbf n LEU 182 Cb 0.17 0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1wbf n LEU 182 CO 0.35 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1wbf n GLY 183 N 1.29 0.60 3.79 -0.72 0.00 0.54 -5.03 105.19 105.66 1wbf n GLY 183 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.41 4.28 -0.08 2.61 -4.23 -1.21 -4.92 115.64 109.68 1wbf s THR 184 Ca 0.00 1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 62.22 1wbf s THR 184 Cb 0.00 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.94 1wbf s THR 184 CO 0.00 0.06 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.47 1wbf s ILE 185 N -1.71 0.65 -0.06 2.99 1.01 -1.26 -2.29 121.20 120.53 1wbf s ILE 185 Ca 0.52 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1wbf s ILE 185 Cb -0.17 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1wbf s ILE 185 CO 0.22 0.29 -0.24 -0.31 0.00 0.00 0.00 174.94 174.89 1wbf s TYR 186 N 1.54 2.34 0.03 3.97 2.02 -0.65 -5.02 117.35 121.57 1wbf s TYR 186 Ca -0.01 -0.70 0.03 0.00 -0.37 0.00 0.00 57.07 56.02 1wbf s TYR 186 Cb -0.13 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1wbf s TYR 186 CO -0.04 -0.22 -0.10 -0.08 -1.57 0.00 0.00 175.55 173.54 1wbf s THR 187 N -0.12 0.77 -0.15 -0.71 -1.32 -1.26 -1.41 115.64 111.44 1wbf s THR 187 Ca -0.04 -0.86 -0.19 0.00 -1.21 0.00 0.00 61.69 59.39 1wbf s THR 187 Cb -0.14 -0.73 0.05 0.00 -1.51 0.00 0.00 72.50 70.17 1wbf s THR 187 CO 0.04 -0.10 0.50 -0.51 -2.21 0.00 0.00 174.62 172.34 1wbf s ILE 188 N -0.87 0.01 0.05 5.08 2.07 -0.47 -4.98 121.20 122.10 1wbf s ILE 188 Ca -0.02 -0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.03 1wbf s ILE 188 Cb -0.07 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.79 1wbf s ILE 188 CO 0.01 -0.04 0.24 0.00 -1.91 0.00 0.00 174.94 173.24 1wbf s ALA 189 N -0.16 -0.48 0.19 1.50 0.00 -1.26 -0.27 121.76 121.29 1wbf s ALA 189 Ca -0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 1wbf s ALA 189 Cb -0.03 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.49 1wbf s ALA 189 CO 0.02 -0.42 0.60 0.34 0.00 0.00 0.00 175.76 176.31 1wbf s ASP 190 N -2.25 -0.43 -0.20 0.00 2.15 -1.02 -5.00 116.67 109.92 1wbf s ASP 190 Ca -0.03 -0.24 -0.18 0.00 0.43 0.00 0.00 52.55 52.53 1wbf s ASP 190 Cb 0.00 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.21 1wbf s ASP 190 CO -0.05 -1.06 0.51 -0.63 -0.17 0.00 0.00 175.17 173.76 1wbf s ILE 191 N -3.81 5.12 -0.07 4.11 1.01 -1.26 -1.16 121.20 125.13 1wbf s ILE 191 Ca 0.05 0.93 -0.03 0.00 0.00 0.00 0.00 60.65 61.60 1wbf s ILE 191 Cb -0.02 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1wbf s ILE 191 CO -0.07 0.19 0.09 -0.69 0.00 0.00 0.00 174.94 174.47 1wbf s VAL 192 N 1.56 -0.15 -0.50 2.92 1.01 0.17 -4.97 120.40 120.44 1wbf s VAL 192 Ca 0.24 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 1wbf s VAL 192 Cb -0.15 -0.24 0.09 0.00 0.00 0.00 0.00 36.38 36.08 1wbf s VAL 192 CO 0.09 0.12 0.47 -0.62 0.00 0.00 0.00 175.10 175.17 1wbf s ASP 193 N 2.20 6.17 0.64 3.32 -1.08 -1.26 -4.67 116.67 121.99 1wbf s ASP 193 Ca 0.04 -1.41 0.38 0.00 -0.52 0.00 0.00 52.55 51.05 1wbf s ASP 193 Cb -0.12 -2.21 2.15 0.00 -1.46 0.00 0.00 42.92 41.27 1wbf s ASP 193 CO -0.04 -0.77 2.28 -0.07 0.52 0.00 0.00 175.17 177.09 1wbf h LEU 194 N 9.00 0.00 -0.47 -1.34 3.38 -1.97 -2.50 115.31 121.40 1wbf h LEU 194 Ca -0.29 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 1wbf h LEU 194 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wbf h LEU 194 CO 0.95 0.00 -0.74 0.11 0.09 0.00 0.00 178.44 178.84 1wbf h LYS 195 N 0.00 0.19 0.00 1.13 1.57 -1.92 -1.49 116.57 116.04 1wbf h LYS 195 Ca 0.01 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1wbf h LYS 195 Cb 0.11 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wbf h LYS 195 CO -0.00 0.85 0.00 1.04 -0.57 0.00 0.00 179.45 180.77 1wbf n GLN 196 N -3.75 0.16 -0.06 3.15 1.13 -0.94 -4.42 117.38 112.65 1wbf n GLN 196 Ca -0.03 0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 55.06 1wbf n GLN 196 Cb 0.72 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1wbf n GLN 196 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wbf n VAL 197 N -1.98 0.65 -4.09 5.09 0.31 -1.18 -5.11 118.33 112.03 1wbf n VAL 197 Ca 0.06 -0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 63.99 1wbf n VAL 197 Cb 0.39 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 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 -6.52 3.49 0.88 7.52 1.43 -0.57 -4.80 118.68 120.12 1wbf s LEU 198 Ca -0.16 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1wbf s LEU 198 Cb 0.06 -2.03 0.13 0.00 0.03 0.00 0.00 46.19 44.39 1wbf s LEU 198 CO 0.22 -0.16 1.21 -2.16 0.23 0.00 0.00 176.35 175.69 1wbf s PRO 199 N -3.84 1.33 0.42 1.29 0.04 -1.26 -4.72 135.00 128.26 1wbf s PRO 199 Ca 0.35 -0.03 0.13 0.00 0.04 0.00 0.00 61.00 61.50 1wbf s PRO 199 Cb -0.06 -1.89 1.00 0.00 0.04 0.00 0.00 34.50 33.59 1wbf s PRO 199 CO 0.24 -2.01 1.98 0.93 0.04 0.00 0.00 177.00 178.17 1wbf h GLU 200 N -1.36 0.44 -4.94 4.56 5.08 -1.96 -3.41 114.58 112.99 1wbf h GLU 200 Ca -0.46 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.30 1wbf h GLU 200 Cb 1.30 -0.10 -0.33 0.00 0.50 0.00 0.00 28.75 30.12 1wbf h GLU 200 CO 0.56 0.29 -0.84 -1.12 -1.00 0.00 0.00 179.01 176.90 1wbf s SER 201 N -6.23 2.24 0.44 1.42 0.01 -1.26 -0.32 113.70 109.99 1wbf s SER 201 Ca -0.08 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1wbf s SER 201 Cb 0.20 -0.95 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 1wbf s SER 201 CO 0.75 0.10 0.14 0.68 0.41 0.00 0.00 173.24 175.32 1wbf s VAL 202 N 0.44 0.53 -0.01 3.43 -7.23 -0.26 -4.08 120.40 113.21 1wbf s VAL 202 Ca -0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 1wbf s VAL 202 Cb -0.16 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1wbf s VAL 202 CO 0.05 0.00 -0.23 0.20 -0.31 0.00 0.00 175.10 174.81 1wbf s ASN 203 N -3.66 3.32 -0.01 4.85 0.02 -0.00 -1.33 114.94 118.13 1wbf s ASN 203 Ca 0.20 -0.43 0.06 0.00 -1.02 0.00 0.00 52.86 51.68 1wbf s ASN 203 Cb 0.01 -0.45 -0.03 0.00 0.02 0.00 0.00 41.25 40.80 1wbf s ASN 203 CO 0.14 0.31 -0.20 0.68 0.02 0.00 0.00 177.10 178.06 1wbf s VAL 204 N -0.68 2.62 -0.38 1.60 -7.23 -1.26 -1.96 120.40 113.10 1wbf s VAL 204 Ca 0.11 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1wbf s VAL 204 Cb -0.10 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1wbf s VAL 204 CO 0.00 0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 1wbf n GLY 205 N 2.12 -0.56 3.41 2.32 0.00 -0.94 -1.97 105.19 109.57 1wbf n GLY 205 Ca -0.17 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.00 1.92 -0.10 1.61 0.08 -0.36 -1.29 117.98 116.84 1wbf s PHE 206 Ca 0.00 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.24 1wbf s PHE 206 Cb 0.00 -0.99 0.05 0.00 -0.57 0.00 0.00 43.02 41.51 1wbf s PHE 206 CO 0.00 0.38 0.51 0.45 -0.10 0.00 0.00 175.22 176.45 1wbf s SER 207 N -3.41 -0.47 0.12 1.36 0.15 -0.70 -2.13 113.70 108.61 1wbf s SER 207 Ca 0.27 0.65 -0.19 0.00 0.70 0.00 0.00 55.95 57.39 1wbf s SER 207 Cb 0.01 0.68 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 1wbf s SER 207 CO 0.11 -0.40 0.47 0.00 1.20 0.00 0.00 173.24 174.62 1wbf s ALA 208 N -0.67 -1.18 -0.02 5.45 0.00 -1.02 -0.45 121.76 123.88 1wbf s ALA 208 Ca -0.08 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 1wbf s ALA 208 Cb -0.03 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1wbf s ALA 208 CO 0.05 -0.66 0.37 0.00 0.00 0.00 0.00 175.76 175.52 1wbf s ALA 209 N -3.57 -0.94 0.38 0.00 0.00 -1.09 -2.47 121.76 114.07 1wbf s ALA 209 Ca 0.01 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1wbf s ALA 209 Cb 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1wbf s ALA 209 CO -0.11 -0.28 0.34 0.95 0.00 0.00 0.00 175.76 176.66 1wbf s THR 210 N -1.36 3.01 0.47 0.00 -4.23 -0.12 -0.63 115.64 112.79 1wbf s THR 210 Ca -0.13 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1wbf s THR 210 Cb -0.04 -3.07 -0.10 0.00 1.34 0.00 0.00 72.50 70.62 1wbf s THR 210 CO 0.05 -0.07 -0.25 0.61 -0.54 0.00 0.00 174.62 174.41 1wbf n GLY 211 N -1.48 -2.60 3.84 3.99 0.00 -0.29 -4.14 105.19 104.50 1wbf n GLY 211 Ca 0.01 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.70 6.24 0.22 1.61 2.15 -1.26 -0.11 116.67 124.82 1wbf s ASP 212 Ca 0.36 0.41 0.12 0.00 0.43 0.00 0.00 52.55 53.86 1wbf s ASP 212 Cb -0.27 -2.01 0.66 0.00 -0.30 0.00 0.00 42.92 41.00 1wbf s ASP 212 CO 0.50 0.38 1.30 -0.81 -0.17 0.00 0.00 175.17 176.38 1wbf n PRO 213 N 2.17 0.08 0.28 4.34 -0.04 -1.26 -1.10 135.00 139.46 1wbf n PRO 213 Ca -0.19 0.54 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 1wbf n PRO 213 Cb 0.55 -1.89 0.80 0.00 -0.04 0.00 0.00 33.50 32.92 1wbf n PRO 213 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wbf h SER 214 N 0.00 0.00 1.13 3.54 4.64 -2.00 -1.30 113.55 119.56 1wbf h SER 214 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wbf h SER 214 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1wbf h SER 214 CO 0.00 0.00 -0.38 1.23 -0.87 0.00 0.00 176.83 176.81 1wbf h GLY 215 N 1.47 0.00 -5.94 -0.77 0.00 -1.53 -3.48 103.07 92.82 1wbf h GLY 215 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1wbf h GLY 215 CO 0.00 0.00 -0.78 0.28 0.00 0.00 0.00 176.54 176.04 1wbf n LYS 216 N -2.21 -5.96 -3.38 4.80 4.76 -0.49 -4.98 118.16 110.71 1wbf n LYS 216 Ca 0.04 0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 56.01 1wbf n LYS 216 Cb 0.44 -5.54 -0.08 0.00 -1.84 0.00 0.00 35.03 28.01 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 -5.91 0.63 0.63 1.97 -1.52 -1.26 -5.01 119.66 109.19 1wbf s GLN 217 Ca 0.17 -0.96 0.31 0.00 -1.95 0.00 0.00 55.36 52.93 1wbf s GLN 217 Cb -0.08 -0.82 1.70 0.00 -0.22 0.00 0.00 33.01 33.59 1wbf s GLN 217 CO 0.78 -1.20 1.95 0.00 -0.25 0.00 0.00 175.29 176.57 1wbf h ARG 218 N 7.02 0.00 0.00 2.91 3.08 -1.95 -1.45 114.38 123.98 1wbf h ARG 218 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wbf h ARG 218 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1wbf h ARG 218 CO 0.21 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.20 1wbf n ASN 219 N -2.84 0.26 -4.58 7.04 3.02 -1.26 -4.43 115.26 112.48 1wbf n ASN 219 Ca -0.02 0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 54.66 1wbf n ASN 219 Cb 0.30 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.05 2.92 0.24 5.41 0.00 -0.55 -4.55 121.76 122.19 1wbf s ALA 220 Ca 0.11 -2.64 -0.18 0.00 0.00 0.00 0.00 51.96 49.25 1wbf s ALA 220 Cb 0.15 -4.63 0.02 0.00 0.00 0.00 0.00 23.12 18.66 1wbf s ALA 220 CO 0.50 -3.71 0.61 -0.08 0.00 0.00 0.00 175.76 173.08 1wbf s THR 221 N 5.63 0.01 0.06 0.00 -1.32 -1.26 -1.14 115.64 117.62 1wbf s THR 221 Ca 0.55 -0.98 -0.27 0.00 -1.21 0.00 0.00 61.69 59.79 1wbf s THR 221 Cb 0.02 -1.88 0.09 0.00 -1.51 0.00 0.00 72.50 69.22 1wbf s THR 221 CO 0.05 -0.03 1.18 -1.83 -2.21 0.00 0.00 174.62 171.79 1wbf s GLU 222 N -3.92 0.75 0.36 7.08 -1.05 -1.25 -4.12 118.70 116.55 1wbf s GLU 222 Ca 0.13 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.51 1wbf s GLU 222 Cb -0.03 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.86 1wbf s GLU 222 CO 0.04 -0.35 0.55 0.95 0.95 0.00 0.00 175.26 177.40 1wbf s THR 223 N -2.29 4.58 -0.45 1.83 -4.23 -0.80 -4.78 115.64 109.50 1wbf s THR 223 Ca 0.22 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1wbf s THR 223 Cb 0.00 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.37 1wbf s THR 223 CO 0.01 -0.38 0.50 1.41 -0.54 0.00 0.00 174.62 175.62 1wbf n HIS 224 N -1.80 -2.04 -3.97 3.99 8.25 -1.26 -4.00 115.22 114.39 1wbf n HIS 224 Ca -0.03 -2.57 -0.32 0.00 -0.26 0.00 0.00 57.72 54.55 1wbf n HIS 224 Cb 0.57 0.72 -0.05 0.00 1.12 0.00 0.00 29.99 32.35 1wbf n HIS 224 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wbf s ASP 225 N 0.28 6.10 -0.20 0.41 1.01 -0.93 -1.18 116.67 122.17 1wbf s ASP 225 Ca 0.32 0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.80 1wbf s ASP 225 Cb 0.03 -1.83 0.02 0.00 1.01 0.00 0.00 42.92 42.15 1wbf s ASP 225 CO -0.14 0.22 -0.15 -0.63 0.21 0.00 0.00 175.17 174.67 1wbf s ILE 226 N -1.38 2.38 -0.02 0.77 -1.09 -0.20 -1.72 121.20 119.94 1wbf s ILE 226 Ca 0.30 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.68 1wbf s ILE 226 Cb -0.13 -2.06 -0.33 0.00 -1.58 0.00 0.00 42.46 38.37 1wbf s ILE 226 CO 0.22 0.47 0.81 -0.07 -1.23 0.00 0.00 174.94 175.13 1wbf h LEU 227 N 7.97 0.68 -7.85 2.97 4.07 -1.34 -2.31 115.31 119.50 1wbf h LEU 227 Ca -0.43 -0.93 0.01 0.00 0.08 0.00 0.00 57.88 56.62 1wbf h LEU 227 Cb 1.14 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.58 1wbf h LEU 227 CO 0.62 1.71 0.10 -0.94 -1.08 0.00 0.00 178.44 178.85 1wbf s SER 228 N -7.36 -0.26 -0.30 -0.43 1.04 -1.25 -4.01 113.70 101.13 1wbf s SER 228 Ca -0.13 -0.57 -0.14 0.00 0.48 0.00 0.00 55.95 55.58 1wbf s SER 228 Cb 0.04 0.64 0.15 0.00 0.10 0.00 0.00 66.02 66.96 1wbf s SER 228 CO 0.88 -1.18 0.88 0.86 0.98 0.00 0.00 173.24 175.65 1wbf s TRP 229 N -3.91 -0.87 0.09 5.02 -0.00 -0.50 -2.82 118.94 115.95 1wbf s TRP 229 Ca 0.12 1.54 0.09 0.00 -0.00 0.00 0.00 56.10 57.85 1wbf s TRP 229 Cb -0.03 0.52 -0.03 0.00 -0.00 0.00 0.00 33.47 33.93 1wbf s TRP 229 CO 0.03 -0.43 -0.25 -1.54 -0.00 0.00 0.00 176.95 174.76 1wbf s SER 230 N 2.39 3.00 -0.09 5.86 1.04 -0.43 -0.61 113.70 124.87 1wbf s SER 230 Ca -0.05 -0.66 -0.07 0.00 0.48 0.00 0.00 55.95 55.66 1wbf s SER 230 Cb -0.07 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.85 1wbf s SER 230 CO -0.18 0.18 0.23 0.12 0.98 0.00 0.00 173.24 174.57 1wbf s PHE 231 N -0.96 -0.28 -0.05 5.02 2.19 0.10 -1.93 117.98 122.07 1wbf s PHE 231 Ca 0.11 0.67 -0.02 0.00 0.33 0.00 0.00 56.93 58.02 1wbf s PHE 231 Cb -0.10 0.07 0.03 0.00 -1.31 0.00 0.00 43.02 41.72 1wbf s PHE 231 CO 0.04 -0.16 0.11 -1.12 1.83 0.00 0.00 175.22 175.92 1wbf s SER 232 N 0.51 -0.06 0.03 6.13 0.01 -0.48 -1.13 113.70 118.72 1wbf s SER 232 Ca -0.03 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.48 1wbf s SER 232 Cb -0.05 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 1wbf s SER 232 CO -0.03 -0.14 -0.09 0.00 0.41 0.00 0.00 173.24 173.39 1wbf s ALA 233 N 1.07 0.75 -0.16 1.44 0.00 -0.75 -0.88 121.76 123.24 1wbf s ALA 233 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1wbf s ALA 233 Cb -0.11 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1wbf s ALA 233 CO -0.05 0.08 0.05 0.45 0.00 0.00 0.00 175.76 176.30 1wbf s SER 234 N -1.19 2.37 -0.46 0.00 0.15 -0.09 -1.97 113.70 112.51 1wbf s SER 234 Ca -0.04 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 1wbf s SER 234 Cb -0.08 -0.41 0.09 0.00 -1.71 0.00 0.00 66.02 63.91 1wbf s SER 234 CO 0.01 -0.30 0.35 -0.22 1.20 0.00 0.00 173.24 174.28 1wbf s LEU 235 N 2.00 5.53 0.19 3.45 2.96 0.41 -2.24 118.68 130.98 1wbf s LEU 235 Ca 0.01 -1.51 -0.12 0.00 -0.22 0.00 0.00 54.13 52.29 1wbf s LEU 235 Cb -0.16 -2.09 0.12 0.00 0.50 0.00 0.00 46.19 44.56 1wbf s LEU 235 CO -0.08 -0.64 1.84 1.55 -1.32 0.00 0.00 176.35 177.71 1wbf h PRO 236 N 8.61 0.76 -0.02 0.98 0.13 -1.86 1.16 132.00 141.76 1wbf h PRO 236 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wbf h PRO 236 Cb 1.09 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wbf h PRO 236 CO 0.85 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 179.54