#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wby s HIS 3 N 0.00 0.31 -0.05 0.54 3.76 -0.94 -5.01 115.29 113.91 1wby s HIS 3 Ca 0.00 -0.78 -0.17 0.00 -0.15 0.00 0.00 55.06 53.95 1wby s HIS 3 Cb 0.00 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.53 1wby s HIS 3 CO 0.00 -0.49 0.38 -1.54 -0.85 0.00 0.00 174.74 172.25 1wby s SER 4 N -2.89 -0.31 0.02 1.40 1.04 -1.26 -0.02 113.70 111.69 1wby s SER 4 Ca 0.07 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.88 1wby s SER 4 Cb 0.06 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1wby s SER 4 CO -0.10 -0.42 -0.21 -0.32 0.98 0.00 0.00 173.24 173.18 1wby s MET 5 N -1.02 1.48 -0.06 4.02 1.75 -0.52 -0.25 119.30 124.69 1wby s MET 5 Ca -0.11 -0.88 -0.07 0.00 -1.25 0.00 0.00 55.69 53.39 1wby s MET 5 Cb -0.04 -1.54 0.02 0.00 2.84 0.00 0.00 34.83 36.11 1wby s MET 5 CO 0.04 0.40 0.19 1.03 -0.65 0.00 0.00 175.02 176.04 1wby s ARG 6 N -0.96 0.27 -0.13 4.11 1.81 -0.66 -1.72 118.95 121.68 1wby s ARG 6 Ca 0.08 0.18 0.02 0.00 -1.72 0.00 0.00 55.73 54.29 1wby s ARG 6 Cb -0.09 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1wby s ARG 6 CO 0.01 -0.04 -0.21 0.71 -0.68 0.00 0.00 175.30 175.09 1wby s TYR 7 N -0.11 2.66 -0.26 -0.53 2.02 0.01 -0.26 117.35 120.88 1wby s TYR 7 Ca -0.02 -1.18 -0.04 0.00 -0.37 0.00 0.00 57.07 55.46 1wby s TYR 7 Cb -0.02 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1wby s TYR 7 CO 0.01 -0.52 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.40 1wby s PHE 8 N 0.65 3.09 0.08 2.71 0.40 0.50 -2.10 117.98 123.31 1wby s PHE 8 Ca -0.10 -1.30 0.08 0.00 -0.60 0.00 0.00 56.93 55.00 1wby s PHE 8 Cb -0.16 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1wby s PHE 8 CO 0.02 -0.66 -0.16 -1.21 0.70 0.00 0.00 175.22 173.91 1wby s GLU 9 N 1.40 2.00 -0.04 0.44 2.02 0.28 -1.28 118.70 123.51 1wby s GLU 9 Ca 0.01 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 1wby s GLU 9 Cb -0.17 -2.20 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1wby s GLU 9 CO -0.02 0.51 0.09 0.99 0.02 0.00 0.00 175.26 176.85 1wby s THR 10 N -1.08 -0.04 -0.10 3.63 2.01 -0.14 -1.19 115.64 118.73 1wby s THR 10 Ca 0.18 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1wby s THR 10 Cb -0.11 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 1wby s THR 10 CO 0.09 0.07 -0.23 0.00 -0.69 0.00 0.00 174.62 173.85 1wby s ALA 11 N 0.92 2.20 -0.15 7.40 0.00 0.20 -0.82 121.76 131.51 1wby s ALA 11 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1wby s ALA 11 Cb -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1wby s ALA 11 CO -0.04 0.31 -0.15 0.08 0.00 0.00 0.00 175.76 175.96 1wby s VAL 12 N 0.27 2.75 0.15 0.00 1.01 0.78 -1.40 120.40 123.95 1wby s VAL 12 Ca -0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1wby s VAL 12 Cb -0.17 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1wby s VAL 12 CO 0.08 0.51 1.27 -0.44 0.00 0.00 0.00 175.10 176.53 1wby s SER 13 N 0.74 6.98 -0.12 3.32 0.01 0.16 -1.32 113.70 123.46 1wby s SER 13 Ca -0.06 2.25 -0.03 0.00 1.31 0.00 0.00 55.95 59.42 1wby s SER 13 Cb -0.15 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 1wby s SER 13 CO 0.01 -0.50 -0.01 -0.13 0.41 0.00 0.00 173.24 173.02 1wby s ARG 14 N 0.38 3.29 -0.07 12.44 0.52 -1.26 -3.92 118.95 130.33 1wby s ARG 14 Ca 0.58 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1wby s ARG 14 Cb -0.34 -2.85 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 1wby s ARG 14 CO 0.34 0.50 1.74 -2.14 0.02 0.00 0.00 175.30 175.76 1wby s PRO 15 N -0.32 4.04 0.00 3.54 0.02 -1.26 -3.02 135.00 138.00 1wby s PRO 15 Ca 0.06 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1wby s PRO 15 Cb -0.12 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1wby s PRO 15 CO 0.02 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 1wby n GLY 16 N 4.40 0.72 3.04 0.52 0.00 -1.26 -5.06 105.19 107.54 1wby n GLY 16 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1wby n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wby s LEU 17 N 0.00 2.14 0.22 0.99 1.02 -1.17 -5.06 118.68 116.83 1wby s LEU 17 Ca 0.00 -0.35 0.21 0.00 0.02 0.00 0.00 54.13 54.01 1wby s LEU 17 Cb 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 46.19 45.95 1wby s LEU 17 CO 0.00 -0.05 1.12 -0.08 0.02 0.00 0.00 176.35 177.36 1wby h GLU 18 N 5.20 0.00 -5.53 1.70 4.81 -1.97 -3.40 114.58 115.38 1wby h GLU 18 Ca -0.33 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.28 1wby h GLU 18 Cb 1.19 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 1wby h GLU 18 CO 0.45 0.11 -0.41 -1.21 -0.73 0.00 0.00 179.01 177.22 1wby s GLU 19 N -3.21 3.95 0.54 1.92 0.41 -1.26 -5.04 118.70 116.02 1wby s GLU 19 Ca 0.01 -0.03 -0.18 0.00 -0.41 0.00 0.00 54.97 54.36 1wby s GLU 19 Cb 0.08 -3.33 -0.06 0.00 -1.78 0.00 0.00 34.13 29.04 1wby s GLU 19 CO 0.77 0.47 1.05 -1.25 -0.49 0.00 0.00 175.26 175.81 1wby s PRO 20 N -0.19 3.57 -0.04 0.39 0.04 -1.26 -4.57 135.00 132.94 1wby s PRO 20 Ca 0.14 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1wby s PRO 20 Cb -0.13 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1wby s PRO 20 CO 0.03 -0.61 1.48 0.50 0.04 0.00 0.00 177.00 178.45 1wby s ARG 21 N -3.67 4.23 -0.15 4.56 6.06 -0.43 -4.85 118.95 124.70 1wby s ARG 21 Ca 0.65 2.02 0.01 0.00 -2.50 0.00 0.00 55.73 55.91 1wby s ARG 21 Cb -0.16 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.11 1wby s ARG 21 CO 0.28 -0.70 -0.18 -0.47 -2.50 0.00 0.00 175.30 171.73 1wby s TYR 22 N 3.15 2.74 -0.08 5.12 5.04 -1.26 -0.16 117.35 131.90 1wby s TYR 22 Ca 0.66 -1.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 1wby s TYR 22 Cb -0.31 -1.86 0.01 0.00 0.35 0.00 0.00 41.96 40.15 1wby s TYR 22 CO 0.26 -0.54 -0.16 0.42 -1.34 0.00 0.00 175.55 174.18 1wby s ILE 23 N 0.84 1.47 -0.06 3.14 1.01 -0.00 -1.45 121.20 126.14 1wby s ILE 23 Ca -0.05 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1wby s ILE 23 Cb -0.15 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1wby s ILE 23 CO -0.01 0.43 -0.14 -0.55 0.00 0.00 0.00 174.94 174.67 1wby s SER 24 N 0.56 1.89 -0.08 3.58 0.15 -0.03 -0.97 113.70 118.81 1wby s SER 24 Ca -0.16 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.20 1wby s SER 24 Cb -0.17 -0.82 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 1wby s SER 24 CO 0.05 0.06 -0.17 -0.69 1.20 0.00 0.00 173.24 173.69 1wby s VAL 25 N 0.54 1.52 -0.03 4.45 1.01 -0.40 -0.26 120.40 127.23 1wby s VAL 25 Ca -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1wby s VAL 25 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1wby s VAL 25 CO 0.04 0.44 0.19 -0.83 0.00 0.00 0.00 175.10 174.94 1wby s GLY 26 N 0.57 2.19 0.02 4.51 0.00 -0.91 -0.37 107.32 113.33 1wby s GLY 26 Ca -0.16 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1wby s GLY 26 CO 0.05 -0.54 -0.15 -0.19 0.00 0.00 0.00 173.10 172.28 1wby s TYR 27 N -1.25 1.30 -0.16 1.90 1.51 0.64 -1.02 117.35 120.27 1wby s TYR 27 Ca 0.24 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1wby s TYR 27 Cb -0.13 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1wby s TYR 27 CO 0.15 0.02 -0.20 0.08 -1.11 0.00 0.00 175.55 174.49 1wby s VAL 28 N -0.67 1.97 -1.31 0.71 1.01 -0.52 -1.65 120.40 119.94 1wby s VAL 28 Ca 0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1wby s VAL 28 Cb -0.07 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1wby s VAL 28 CO 0.01 0.53 0.42 0.47 0.00 0.00 0.00 175.10 176.52 1wby n ASP 29 N 4.44 -4.35 0.00 3.32 9.92 0.66 -1.93 116.55 128.61 1wby n ASP 29 Ca -0.20 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 1wby n ASP 29 Cb 0.51 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.40 1wby n ASP 29 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1wby n ASN 30 N -2.25 -2.68 -4.25 -2.24 3.02 -1.26 -5.00 115.26 100.59 1wby n ASN 30 Ca -0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 1wby n ASN 30 Cb 0.58 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.15 1wby n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1wby s LYS 31 N -0.57 3.20 0.21 3.52 2.47 -0.81 -5.04 119.74 122.72 1wby s LYS 31 Ca 0.00 -0.75 -0.32 0.00 -1.56 0.00 0.00 55.97 53.34 1wby s LYS 31 Cb 0.00 -2.66 -0.12 0.00 -1.46 0.00 0.00 37.83 33.59 1wby s LYS 31 CO 0.00 -0.04 1.71 -1.91 0.16 0.00 0.00 175.35 175.27 1wby n GLU 32 N 4.22 2.72 0.00 4.03 2.13 -1.26 -1.44 120.64 131.04 1wby n GLU 32 Ca -0.19 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1wby n GLU 32 Cb 0.51 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.40 1wby n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1wby n PHE 33 N 3.87 0.00 -4.03 4.31 -1.74 -0.19 -4.28 117.46 115.41 1wby n PHE 33 Ca 0.16 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.95 1wby n PHE 33 Cb 0.34 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.28 1wby n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1wby s VAL 34 N -1.48 0.02 -0.28 1.97 -7.23 -1.24 0.02 120.40 112.17 1wby s VAL 34 Ca 0.00 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 1wby s VAL 34 Cb 0.00 -2.15 0.12 0.00 0.56 0.00 0.00 36.38 34.91 1wby s VAL 34 CO 0.00 -0.09 0.96 -0.60 -0.31 0.00 0.00 175.10 175.05 1wby s ARG 35 N -4.03 0.54 -0.05 4.82 3.52 -0.86 -2.13 118.95 120.76 1wby s ARG 35 Ca 0.24 0.71 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 1wby s ARG 35 Cb 0.02 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1wby s ARG 35 CO 0.07 -0.08 -0.14 0.12 -0.81 0.00 0.00 175.30 174.46 1wby s PHE 36 N 0.54 1.46 -0.05 5.12 2.19 0.65 -0.57 117.98 127.32 1wby s PHE 36 Ca -0.00 -0.45 -0.01 0.00 0.33 0.00 0.00 56.93 56.80 1wby s PHE 36 Cb -0.05 -1.02 0.03 0.00 -1.31 0.00 0.00 43.02 40.67 1wby s PHE 36 CO -0.08 -0.19 0.01 0.34 1.83 0.00 0.00 175.22 177.14 1wby s ASP 37 N 0.26 1.16 0.38 6.13 -1.08 -1.26 -0.85 116.67 121.42 1wby s ASP 37 Ca -0.07 -0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.20 1wby s ASP 37 Cb -0.12 -0.32 1.16 0.00 -1.46 0.00 0.00 42.92 42.18 1wby s ASP 37 CO 0.02 -0.18 1.83 0.77 0.52 0.00 0.00 175.17 178.14 1wby h SER 38 N 8.03 0.00 1.57 -0.34 4.64 -1.64 -2.73 113.55 123.06 1wby h SER 38 Ca -0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1wby h SER 38 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1wby h SER 38 CO 0.30 0.00 -0.44 0.44 -0.87 0.00 0.00 176.83 176.26 1wby h ASP 39 N 0.00 0.00 -2.90 4.97 3.45 -1.96 -3.45 116.42 116.53 1wby h ASP 39 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1wby h ASP 39 Cb 0.42 0.00 0.22 0.00 -0.56 0.00 0.00 39.33 39.41 1wby h ASP 39 CO 0.00 0.41 -1.02 0.00 -1.57 0.00 0.00 179.24 177.05 1wby n ALA 40 N -2.21 -3.59 0.08 3.45 0.00 -1.03 -4.93 120.51 112.28 1wby n ALA 40 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 1wby n ALA 40 Cb 0.70 -1.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1wby n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wby h GLU 41 N -1.32 -0.20 -4.48 0.00 4.81 -1.91 -3.35 114.58 108.13 1wby h GLU 41 Ca -0.44 0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.10 1wby h GLU 41 Cb 1.29 0.04 -0.30 0.00 0.63 0.00 0.00 28.75 30.41 1wby h GLU 41 CO 0.31 0.12 -0.51 1.21 -0.73 0.00 0.00 179.01 179.41 1wby s ASN 42 N -5.29 5.46 -0.44 1.04 3.84 -1.26 -5.06 114.94 113.22 1wby s ASN 42 Ca -0.15 -1.66 -0.28 0.00 0.21 0.00 0.00 52.86 50.99 1wby s ASN 42 Cb 0.03 -1.92 -0.02 0.00 -0.55 0.00 0.00 41.25 38.79 1wby s ASN 42 CO 0.61 -0.52 1.87 -2.84 -2.79 0.00 0.00 177.10 173.42 1wby s PRO 43 N 1.32 2.99 0.11 0.43 0.02 -1.26 -4.93 135.00 133.69 1wby s PRO 43 Ca 0.04 1.13 -0.12 0.00 0.02 0.00 0.00 61.00 62.06 1wby s PRO 43 Cb -0.23 -4.29 0.02 0.00 0.02 0.00 0.00 34.50 30.01 1wby s PRO 43 CO -0.00 -2.28 0.30 -0.98 -0.33 0.00 0.00 177.00 173.71 1wby s ARG 44 N 6.35 0.98 0.31 5.54 1.70 -1.26 -5.03 118.95 127.54 1wby s ARG 44 Ca 0.76 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1wby s ARG 44 Cb -0.18 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 1wby s ARG 44 CO 0.28 -0.35 1.16 0.71 -1.08 0.00 0.00 175.30 176.02 1wby s TYR 45 N -3.84 3.37 -0.01 5.89 2.02 -1.26 -4.47 117.35 119.05 1wby s TYR 45 Ca 0.05 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 58.40 1wby s TYR 45 Cb 0.03 -3.40 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1wby s TYR 45 CO -0.11 -0.99 -0.16 -1.21 -1.57 0.00 0.00 175.55 171.52 1wby s GLU 46 N -1.67 1.27 0.45 -0.62 0.41 0.27 -4.93 118.70 113.87 1wby s GLU 46 Ca 0.47 -0.60 -0.25 0.00 -0.41 0.00 0.00 54.97 54.19 1wby s GLU 46 Cb -0.34 -1.24 -0.08 0.00 -1.78 0.00 0.00 34.13 30.70 1wby s GLU 46 CO 0.43 0.34 1.33 -1.25 -0.49 0.00 0.00 175.26 175.62 1wby s PRO 47 N -0.46 3.72 0.00 0.39 0.04 -1.26 -2.03 135.00 135.39 1wby s PRO 47 Ca 0.06 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1wby s PRO 47 Cb -0.06 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1wby s PRO 47 CO -0.00 -0.71 0.58 0.54 0.04 0.00 0.00 177.00 177.45 1wby n ARG 48 N -0.24 0.81 -3.79 4.56 5.12 0.10 -4.88 116.66 118.36 1wby n ARG 48 Ca 0.06 -0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 55.12 1wby n ARG 48 Cb 0.44 -0.71 -0.13 0.00 -1.16 0.00 0.00 32.46 30.91 1wby n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wby s ALA 49 N -0.31 -0.46 0.23 7.54 0.00 -1.22 -4.65 121.76 122.89 1wby s ALA 49 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 1wby s ALA 49 Cb 0.00 -0.39 0.21 0.00 0.00 0.00 0.00 23.12 22.94 1wby s ALA 49 CO 0.00 -0.12 1.87 -1.35 0.00 0.00 0.00 175.76 176.17 1wby h PRO 50 N 6.24 1.23 0.00 0.00 0.11 -1.94 -1.94 132.00 135.70 1wby h PRO 50 Ca -0.30 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wby h PRO 50 Cb 1.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1wby h PRO 50 CO 0.39 0.87 0.00 -2.67 -0.21 0.00 0.00 178.00 176.38 1wby n TRP 51 N -4.38 0.00 1.01 0.65 4.27 -1.26 -0.74 117.44 116.98 1wby n TRP 51 Ca 0.10 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.82 1wby n TRP 51 Cb 0.06 0.00 0.14 0.00 -1.36 0.00 0.00 31.31 30.16 1wby n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1wby n MET 52 N -0.95 0.04 0.28 -2.67 2.81 -0.73 -3.92 117.12 111.98 1wby n MET 52 Ca 0.00 -0.03 0.17 0.00 -1.81 0.00 0.00 57.70 56.04 1wby n MET 52 Cb 0.00 -1.50 0.76 0.00 -0.71 0.00 0.00 33.22 31.77 1wby n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1wby h GLU 53 N 0.06 0.00 0.00 0.03 5.08 -1.13 -2.50 114.58 116.12 1wby h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wby h GLU 53 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wby h GLU 53 CO 0.00 0.03 0.04 1.04 -1.00 0.00 0.00 179.01 179.12 1wby n GLN 54 N -3.15 0.00 -3.45 2.33 6.02 -1.25 -4.67 117.38 113.20 1wby n GLN 54 Ca -0.00 0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 57.04 1wby n GLN 54 Cb 0.27 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1wby n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wby s GLU 55 N -2.85 4.15 0.88 -1.09 0.41 -0.94 -5.09 118.70 114.17 1wby s GLU 55 Ca 0.00 0.32 -0.12 0.00 -0.41 0.00 0.00 54.97 54.76 1wby s GLU 55 Cb 0.00 -3.35 0.12 0.00 -1.78 0.00 0.00 34.13 29.12 1wby s GLU 55 CO 0.00 0.38 1.15 0.20 -0.49 0.00 0.00 175.26 176.49 1wby s GLY 56 N -0.04 1.58 0.62 -1.39 0.00 -1.26 -4.93 107.32 101.90 1wby s GLY 56 Ca 0.22 -0.55 0.35 0.00 0.00 0.00 0.00 44.72 44.74 1wby s GLY 56 CO 0.09 -0.01 2.25 -2.55 0.00 0.00 0.00 173.10 172.89 1wby h PRO 57 N -1.39 0.00 -0.57 2.90 0.11 -1.98 -1.08 132.00 130.00 1wby h PRO 57 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1wby h PRO 57 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1wby h PRO 57 CO 0.63 0.00 0.03 0.93 -0.21 0.00 0.00 178.00 179.38 1wby h GLU 58 N 0.00 0.96 0.71 1.05 3.07 -1.99 -2.10 114.58 116.28 1wby h GLU 58 Ca 0.02 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1wby h GLU 58 Cb 0.13 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1wby h GLU 58 CO -0.00 0.93 -0.38 -0.92 -1.40 0.00 0.00 179.01 177.23 1wby h TYR 59 N 0.89 -1.00 -0.18 4.33 5.03 -1.55 0.19 116.97 124.69 1wby h TYR 59 Ca 0.17 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 1wby h TYR 59 Cb 0.47 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1wby h TYR 59 CO 0.03 -0.60 0.02 -1.49 -1.32 0.00 0.00 178.16 174.81 1wby h TRP 60 N -1.01 0.25 -0.36 -3.82 4.06 -1.62 0.02 115.95 113.48 1wby h TRP 60 Ca -0.09 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.75 1wby h TRP 60 Cb 0.79 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 1wby h TRP 60 CO -0.06 0.25 -0.15 1.49 -3.56 0.00 0.00 178.44 176.40 1wby h GLU 61 N 0.25 0.74 -0.25 0.49 4.57 -1.13 -0.90 114.58 118.35 1wby h GLU 61 Ca 0.06 -0.31 -0.16 0.00 -1.18 0.00 0.00 59.36 57.76 1wby h GLU 61 Cb 0.14 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1wby h GLU 61 CO -0.00 0.92 -0.50 -0.09 -1.18 0.00 0.00 179.01 178.16 1wby h ARG 62 N 0.53 0.70 -0.22 1.92 2.43 -0.23 -2.07 114.38 117.43 1wby h ARG 62 Ca 0.08 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1wby h ARG 62 Cb 0.69 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1wby h ARG 62 CO 0.05 1.04 -0.12 0.93 -1.51 0.00 0.00 179.97 180.36 1wby h GLU 63 N 0.55 0.48 -0.55 0.20 4.39 -1.01 -2.56 114.58 116.08 1wby h GLU 63 Ca 0.02 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.53 1wby h GLU 63 Cb 1.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1wby h GLU 63 CO 0.10 0.76 0.34 1.15 -1.16 0.00 0.00 179.01 180.20 1wby h THR 64 N 0.18 1.08 -0.33 1.13 2.02 -1.19 -2.26 112.91 113.54 1wby h THR 64 Ca 0.05 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1wby h THR 64 Cb 0.62 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1wby h THR 64 CO 0.04 0.12 0.14 1.56 0.37 0.00 0.00 175.52 177.75 1wby h GLN 65 N 0.67 0.29 -0.80 6.66 7.50 -1.35 -2.42 115.11 125.67 1wby h GLN 65 Ca 0.22 -0.02 0.16 0.00 0.50 0.00 0.00 58.65 59.51 1wby h GLN 65 Cb -0.00 -0.07 -0.10 0.00 0.05 0.00 0.00 27.48 27.36 1wby h GLN 65 CO -0.09 0.19 0.34 0.87 -1.50 0.00 0.00 178.83 178.64 1wby h LYS 66 N 0.30 0.44 -0.44 1.46 1.57 -1.22 -2.60 116.57 116.08 1wby h LYS 66 Ca 0.14 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1wby h LYS 66 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1wby h LYS 66 CO -0.12 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 1wby h ALA 67 N 1.59 1.18 -0.16 3.86 0.00 -0.93 -0.47 119.26 124.33 1wby h ALA 67 Ca 0.45 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1wby h ALA 67 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wby h ALA 67 CO -0.43 0.54 -0.26 0.87 0.00 0.00 0.00 179.25 179.97 1wby h LYS 68 N 0.68 0.29 -0.38 0.00 1.79 -1.17 0.32 116.57 118.10 1wby h LYS 68 Ca 0.14 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 1wby h LYS 68 Cb 0.42 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1wby h LYS 68 CO 0.02 0.53 -0.21 0.78 -1.08 0.00 0.00 179.45 179.49 1wby h GLY 69 N 0.99 0.88 1.13 3.86 0.00 -1.13 -3.07 103.07 105.74 1wby h GLY 69 Ca 0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1wby h GLY 69 CO 0.04 0.74 0.22 1.46 0.00 0.00 0.00 176.54 178.99 1wby h GLN 70 N 0.61 1.09 -0.30 4.80 1.08 -0.44 -2.30 115.11 119.64 1wby h GLN 70 Ca 0.08 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1wby h GLN 70 Cb 0.77 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 1wby h GLN 70 CO 0.06 0.93 -0.16 0.93 -0.95 0.00 0.00 178.83 179.65 1wby h GLU 71 N 1.05 -0.11 -0.52 1.46 5.08 -0.40 -1.54 114.58 119.59 1wby h GLU 71 Ca 0.23 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1wby h GLU 71 Cb 0.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1wby h GLU 71 CO -0.01 -0.07 -0.07 1.96 -1.00 0.00 0.00 179.01 179.82 1wby h GLN 72 N -0.12 0.93 -0.41 2.33 1.08 -1.43 -1.48 115.11 116.02 1wby h GLN 72 Ca 0.16 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1wby h GLN 72 Cb 0.35 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1wby h GLN 72 CO -0.38 0.97 0.20 2.35 -0.95 0.00 0.00 178.83 181.02 1wby h TRP 73 N 0.84 0.58 -0.21 2.96 7.01 -1.15 -1.66 115.95 124.32 1wby h TRP 73 Ca 0.14 -0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.98 1wby h TRP 73 Cb 0.59 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1wby h TRP 73 CO 0.04 0.47 -0.46 0.74 -2.79 0.00 0.00 178.44 176.43 1wby h PHE 74 N 0.52 0.66 -0.24 2.65 -1.00 -1.25 -1.51 116.94 116.77 1wby h PHE 74 Ca 0.14 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.72 1wby h PHE 74 Cb 0.10 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1wby h PHE 74 CO -0.02 0.90 0.13 -0.09 -1.61 0.00 0.00 178.31 177.63 1wby h ARG 75 N 0.43 0.27 -0.10 1.51 2.43 -1.12 -0.38 114.38 117.42 1wby h ARG 75 Ca 0.03 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1wby h ARG 75 Cb 0.98 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1wby h ARG 75 CO 0.09 0.18 -0.18 0.28 -1.51 0.00 0.00 179.97 178.83 1wby h VAL 76 N 0.28 1.38 -1.00 0.20 2.07 -1.24 -2.50 116.25 115.44 1wby h VAL 76 Ca 0.09 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.24 1wby h VAL 76 Cb -0.00 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1wby h VAL 76 CO -0.04 0.41 0.65 0.28 0.02 0.00 0.00 177.57 178.89 1wby h SER 77 N -0.13 1.04 -0.52 0.57 0.02 -1.27 0.16 113.55 113.40 1wby h SER 77 Ca 0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1wby h SER 77 Cb 0.75 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1wby h SER 77 CO 0.04 0.65 0.27 0.25 -1.14 0.00 0.00 176.83 176.90 1wby h LEU 78 N 1.17 0.67 -0.67 5.07 5.85 -1.03 -1.04 115.31 125.33 1wby h LEU 78 Ca 0.44 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1wby h LEU 78 Cb 0.18 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1wby h LEU 78 CO -0.18 0.60 0.44 -0.09 -0.34 0.00 0.00 178.44 178.87 1wby h ARG 79 N 0.70 0.86 -0.87 1.25 2.43 -0.84 -2.90 114.38 115.02 1wby h ARG 79 Ca 0.18 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1wby h ARG 79 Cb 0.09 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1wby h ARG 79 CO -0.03 0.57 0.47 -0.91 -1.51 0.00 0.00 179.97 178.57 1wby h ASN 80 N 0.89 1.09 0.25 -3.80 2.35 -0.44 -2.88 115.58 113.04 1wby h ASN 80 Ca 0.25 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1wby h ASN 80 Cb -0.08 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1wby h ASN 80 CO -0.07 0.88 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.29 1wby h LEU 81 N 1.22 0.00 -0.62 1.61 3.38 -1.04 -2.14 115.31 117.71 1wby h LEU 81 Ca 0.31 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.31 1wby h LEU 81 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1wby h LEU 81 CO -0.05 0.23 0.37 -0.07 0.09 0.00 0.00 178.44 179.01 1wby h LEU 82 N 0.00 0.58 0.22 1.67 4.07 -1.31 -2.53 115.31 118.01 1wby h LEU 82 Ca -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1wby h LEU 82 Cb 0.42 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1wby h LEU 82 CO 0.03 0.40 -0.11 1.23 -1.08 0.00 0.00 178.44 178.91 1wby h GLY 83 N 0.71 -0.31 1.16 0.83 0.00 -1.43 0.45 103.07 104.49 1wby h GLY 83 Ca 0.26 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1wby h GLY 83 CO -0.13 -0.11 0.32 -0.97 0.00 0.00 0.00 176.54 175.65 1wby h TYR 84 N -0.40 0.17 -0.21 5.60 0.05 -1.31 -2.12 116.97 118.76 1wby h TYR 84 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1wby h TYR 84 Cb 0.31 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1wby h TYR 84 CO -0.03 0.08 0.00 0.66 -1.05 0.00 0.00 178.16 177.82 1wby n TYR 85 N -4.44 0.26 -3.79 4.88 4.01 -0.96 -4.86 117.16 112.26 1wby n TYR 85 Ca 0.08 -0.23 -0.27 0.00 -0.16 0.00 0.00 57.90 57.31 1wby n TYR 85 Cb 0.43 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1wby n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wby n ASN 86 N 0.75 -2.73 -4.87 7.72 5.15 -0.68 -4.94 115.26 115.65 1wby n ASN 86 Ca 0.11 -0.98 -0.36 0.00 -0.60 0.00 0.00 54.58 52.75 1wby n ASN 86 Cb 0.40 -3.37 -0.06 0.00 -0.53 0.00 0.00 39.78 36.22 1wby n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1wby s GLN 87 N -6.19 3.59 0.74 1.20 -0.21 0.06 -5.04 119.66 113.81 1wby s GLN 87 Ca 0.22 -0.01 -0.13 0.00 0.02 0.00 0.00 55.36 55.46 1wby s GLN 87 Cb -0.08 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.83 1wby s GLN 87 CO 0.86 0.71 1.13 -1.12 -2.12 0.00 0.00 175.29 174.75 1wby s SER 88 N -1.32 4.45 1.04 5.90 0.01 -1.26 -4.81 113.70 117.71 1wby s SER 88 Ca 0.22 2.05 -0.12 0.00 1.31 0.00 0.00 55.95 59.40 1wby s SER 88 Cb -0.13 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.75 1wby s SER 88 CO 0.11 -2.07 1.08 0.00 0.41 0.00 0.00 173.24 172.76 1wby s ALA 89 N -2.47 0.59 0.00 1.44 0.00 -1.26 -4.66 121.76 115.41 1wby s ALA 89 Ca 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1wby s ALA 89 Cb -0.22 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1wby s ALA 89 CO 0.48 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.56 1wby n GLY 90 N -0.54 -0.12 1.49 0.00 0.00 -1.26 -5.05 105.19 99.71 1wby n GLY 90 Ca 0.05 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1wby n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wby n GLY 91 N 0.00 -3.84 3.44 -0.02 0.00 -1.26 -4.87 105.19 98.63 1wby n GLY 91 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1wby n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wby s SER 92 N -5.90 3.91 0.05 1.61 0.15 -1.26 -4.25 113.70 108.01 1wby s SER 92 Ca 0.00 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1wby s SER 92 Cb 0.00 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 1wby s SER 92 CO 0.00 0.31 -0.07 -1.00 1.20 0.00 0.00 173.24 173.67 1wby s HIS 93 N -0.49 0.66 -0.03 3.44 4.02 -1.25 -4.95 115.29 116.69 1wby s HIS 93 Ca 0.06 -0.58 0.07 0.00 1.02 0.00 0.00 55.06 55.63 1wby s HIS 93 Cb -0.12 -0.40 -0.01 0.00 -1.02 0.00 0.00 32.58 31.03 1wby s HIS 93 CO 0.02 -0.11 -0.23 0.95 1.02 0.00 0.00 174.74 176.39 1wby s THR 94 N -1.78 1.82 -0.07 1.30 -4.23 -1.26 -0.67 115.64 110.75 1wby s THR 94 Ca -0.07 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1wby s THR 94 Cb -0.07 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.25 1wby s THR 94 CO -0.01 0.51 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.20 1wby s LEU 95 N -0.40 1.82 0.10 4.79 2.96 -0.49 -1.74 118.68 125.72 1wby s LEU 95 Ca 0.05 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1wby s LEU 95 Cb -0.10 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 1wby s LEU 95 CO 0.00 0.10 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.87 1wby s GLN 96 N 0.42 0.99 -0.02 1.98 -0.21 -0.55 -0.63 119.66 121.64 1wby s GLN 96 Ca -0.13 -1.13 -0.00 0.00 0.02 0.00 0.00 55.36 54.12 1wby s GLN 96 Cb -0.15 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.84 1wby s GLN 96 CO 0.05 0.23 0.04 -1.14 -2.12 0.00 0.00 175.29 172.34 1wby s GLN 97 N -2.13 -0.01 -0.09 2.91 0.74 -0.33 -1.89 119.66 118.87 1wby s GLN 97 Ca 0.05 0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.66 1wby s GLN 97 Cb -0.08 -0.18 -0.01 0.00 1.10 0.00 0.00 33.01 33.84 1wby s GLN 97 CO 0.03 -0.13 -0.21 -1.64 -0.55 0.00 0.00 175.29 172.80 1wby s MET 98 N 0.82 2.94 0.04 1.67 -1.94 -0.39 -0.56 119.30 121.88 1wby s MET 98 Ca -0.07 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 52.97 1wby s MET 98 Cb -0.10 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.41 1wby s MET 98 CO -0.03 0.29 0.25 -1.54 -0.01 0.00 0.00 175.02 173.99 1wby s SER 99 N 0.09 -0.06 0.00 3.03 1.04 -0.89 -0.44 113.70 116.47 1wby s SER 99 Ca -0.10 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1wby s SER 99 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wby s SER 99 CO 0.06 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1wby n GLY 100 N 0.66 -0.17 3.13 7.32 0.00 -0.92 -0.81 105.19 114.40 1wby n GLY 100 Ca -0.19 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1wby n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wby s ASP 102 N -2.46 4.84 -0.03 0.00 1.01 0.64 -1.44 116.67 119.23 1wby s ASP 102 Ca 0.03 -0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.27 1wby s ASP 102 Cb -0.01 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 1wby s ASP 102 CO -0.03 0.30 0.03 -0.76 0.21 0.00 0.00 175.17 174.92 1wby s LEU 103 N -0.40 3.69 0.00 1.23 1.43 0.97 -0.32 118.68 125.29 1wby s LEU 103 Ca 0.06 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1wby s LEU 103 Cb -0.12 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.18 1wby s LEU 103 CO 0.02 0.31 0.74 0.61 0.23 0.00 0.00 176.35 178.26 1wby n GLY 104 N 1.57 -1.22 0.30 -3.19 0.00 0.86 -2.22 105.19 101.30 1wby n GLY 104 Ca -0.16 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1wby n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wby h SER 105 N -0.95 0.56 0.00 1.61 4.64 -1.95 -0.69 113.55 116.78 1wby h SER 105 Ca -0.24 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1wby h SER 105 Cb 0.67 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1wby h SER 105 CO 0.17 0.48 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1wby n ASP 106 N -4.40 1.28 -0.31 4.97 5.75 -1.26 -4.84 116.55 117.74 1wby n ASP 106 Ca 0.03 -1.94 -0.02 0.00 -0.01 0.00 0.00 54.79 52.86 1wby n ASP 106 Cb 0.12 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 1wby n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1wby n TRP 107 N 0.10 -0.18 -3.30 2.11 7.02 -0.26 -4.88 117.44 118.04 1wby n TRP 107 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1wby n TRP 107 Cb 0.28 -1.18 -0.04 0.00 -2.42 0.00 0.00 31.31 27.96 1wby n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1wby s ARG 108 N -1.13 3.70 -0.29 -0.99 0.52 -1.26 -4.67 118.95 114.83 1wby s ARG 108 Ca 0.00 0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.05 1wby s ARG 108 Cb 0.00 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 1wby s ARG 108 CO 0.00 0.21 2.26 -0.11 0.02 0.00 0.00 175.30 177.68 1wby n LEU 109 N -0.75 2.89 -0.00 2.53 7.94 -1.26 -0.10 117.00 128.24 1wby n LEU 109 Ca -0.01 0.13 -0.17 0.00 -1.11 0.00 0.00 56.01 54.85 1wby n LEU 109 Cb 0.53 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 1wby n LEU 109 CO 0.47 -0.83 0.27 0.25 -1.11 0.00 0.00 177.39 176.44 1wby h LEU 110 N 15.28 0.64 -7.00 -1.96 6.46 -0.96 -3.46 115.31 124.30 1wby h LEU 110 Ca -0.36 -0.71 0.06 0.00 -0.12 0.00 0.00 57.88 56.75 1wby h LEU 110 Cb 1.26 -0.19 -0.22 0.00 -0.73 0.00 0.00 40.66 40.77 1wby h LEU 110 CO 1.00 1.25 0.48 -0.60 -0.62 0.00 0.00 178.44 179.96 1wby s ARG 111 N -3.41 0.67 0.14 1.25 3.52 -1.12 -4.99 118.95 115.01 1wby s ARG 111 Ca -0.12 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.74 1wby s ARG 111 Cb 0.05 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 1wby s ARG 111 CO 0.84 -0.20 -0.05 0.20 -0.81 0.00 0.00 175.30 175.28 1wby s GLY 112 N -1.04 1.77 0.04 8.12 0.00 -1.26 -0.26 107.32 114.69 1wby s GLY 112 Ca -0.03 -1.32 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1wby s GLY 112 CO 0.03 -1.32 -0.13 -0.19 0.00 0.00 0.00 173.10 171.49 1wby s TYR 113 N -1.52 1.10 -0.30 1.90 1.51 0.92 -4.82 117.35 116.14 1wby s TYR 113 Ca 0.25 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1wby s TYR 113 Cb -0.10 -0.65 0.17 0.00 -0.11 0.00 0.00 41.96 41.27 1wby s TYR 113 CO 0.17 0.02 0.65 -1.17 -1.11 0.00 0.00 175.55 174.10 1wby s LEU 114 N -1.18 -1.26 0.04 -1.29 1.98 -1.25 -2.16 118.68 113.56 1wby s LEU 114 Ca -0.00 1.00 0.01 0.00 -2.89 0.00 0.00 54.13 52.25 1wby s LEU 114 Cb -0.08 2.14 -0.02 0.00 0.66 0.00 0.00 46.19 48.89 1wby s LEU 114 CO 0.01 -0.24 -0.05 -1.10 -1.89 0.00 0.00 176.35 173.08 1wby s GLN 115 N 2.86 0.46 0.03 1.98 -0.21 0.42 -1.23 119.66 123.98 1wby s GLN 115 Ca 0.13 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.78 1wby s GLN 115 Cb -0.14 -0.08 -0.02 0.00 1.00 0.00 0.00 33.01 33.78 1wby s GLN 115 CO -0.20 -0.01 -0.13 -0.06 -2.12 0.00 0.00 175.29 172.78 1wby s PHE 116 N -1.76 1.11 0.01 0.91 0.40 0.01 -1.26 117.98 117.40 1wby s PHE 116 Ca -0.10 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1wby s PHE 116 Cb -0.08 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 1wby s PHE 116 CO -0.01 0.02 -0.09 0.00 0.70 0.00 0.00 175.22 175.84 1wby s ALA 117 N -0.81 0.70 -0.06 5.36 0.00 -0.79 -0.90 121.76 125.26 1wby s ALA 117 Ca 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1wby s ALA 117 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1wby s ALA 117 CO 0.01 0.13 -0.23 -0.47 0.00 0.00 0.00 175.76 175.20 1wby s TYR 118 N -0.53 2.50 -1.46 0.00 5.04 -0.29 -1.48 117.35 121.13 1wby s TYR 118 Ca 0.00 -0.65 -0.09 0.00 -2.44 0.00 0.00 57.07 53.90 1wby s TYR 118 Cb -0.05 -1.62 0.04 0.00 0.35 0.00 0.00 41.96 40.67 1wby s TYR 118 CO 0.00 -0.17 0.79 0.39 -1.34 0.00 0.00 175.55 175.22 1wby n GLU 119 N 2.92 -5.40 -1.07 4.97 -0.58 -0.71 -1.67 120.64 119.10 1wby n GLU 119 Ca -0.17 0.74 -0.03 0.00 -0.42 0.00 0.00 57.16 57.28 1wby n GLU 119 Cb 0.52 -5.62 -0.01 0.00 -0.57 0.00 0.00 31.44 25.76 1wby n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wby n GLY 120 N -1.60 0.47 3.24 0.62 0.00 -1.26 -5.01 105.19 101.64 1wby n GLY 120 Ca -0.03 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1wby n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wby s ARG 121 N -1.46 1.46 0.09 1.61 0.52 -0.67 -5.07 118.95 115.43 1wby s ARG 121 Ca 0.00 -0.87 -0.36 0.00 -0.52 0.00 0.00 55.73 53.98 1wby s ARG 121 Cb 0.00 -1.52 -0.17 0.00 0.52 0.00 0.00 34.95 33.78 1wby s ARG 121 CO 0.00 0.40 1.21 -0.25 0.02 0.00 0.00 175.30 176.68 1wby n ASP 122 N 2.08 1.12 0.00 0.23 8.00 -1.26 -1.14 116.55 125.58 1wby n ASP 122 Ca -0.17 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1wby n ASP 122 Cb 0.53 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1wby n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wby n TYR 123 N 1.98 0.00 -4.03 1.24 9.36 -0.07 -4.68 117.16 120.96 1wby n TYR 123 Ca 0.18 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.30 1wby n TYR 123 Cb 0.18 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.78 1wby n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1wby s ILE 124 N -0.85 0.26 -0.06 2.97 2.07 -1.18 -1.15 121.20 123.25 1wby s ILE 124 Ca 0.00 -1.18 -0.06 0.00 -1.41 0.00 0.00 60.65 58.01 1wby s ILE 124 Cb 0.00 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.95 1wby s ILE 124 CO 0.00 -0.59 0.17 0.00 -1.91 0.00 0.00 174.94 172.61 1wby s ALA 125 N -2.04 -0.41 -0.05 1.50 0.00 -0.64 -0.81 121.76 119.32 1wby s ALA 125 Ca -0.09 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1wby s ALA 125 Cb -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1wby s ALA 125 CO -0.03 -0.09 1.31 -1.17 0.00 0.00 0.00 175.76 175.78 1wby s LEU 126 N 0.23 4.28 0.81 0.00 2.96 -0.36 -0.29 118.68 126.31 1wby s LEU 126 Ca -0.01 1.94 -0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1wby s LEU 126 Cb -0.02 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.19 1wby s LEU 126 CO -0.01 -0.68 1.09 0.20 -1.32 0.00 0.00 176.35 175.64 1wby s ASN 127 N 1.78 4.13 0.56 3.68 0.02 -0.40 -4.51 114.94 120.20 1wby s ASN 127 Ca 0.60 1.76 0.28 0.00 -1.02 0.00 0.00 52.86 54.48 1wby s ASN 127 Cb -0.27 -2.44 1.48 0.00 0.02 0.00 0.00 41.25 40.03 1wby s ASN 127 CO 0.23 -2.26 1.97 -0.08 0.02 0.00 0.00 177.10 176.98 1wby h GLU 128 N -1.29 0.00 0.00 -0.60 4.81 -1.90 0.48 114.58 116.08 1wby h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1wby h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1wby h GLU 128 CO 0.51 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.39 1wby n ASP 129 N -4.05 0.59 -1.88 1.04 5.75 -1.26 -4.76 116.55 111.98 1wby n ASP 129 Ca 0.09 0.63 -0.18 0.00 -0.01 0.00 0.00 54.79 55.32 1wby n ASP 129 Cb 0.62 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 1wby n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wby n LEU 130 N -2.14 -1.69 0.00 -2.12 4.32 0.17 -4.84 117.00 110.70 1wby n LEU 130 Ca 0.03 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1wby n LEU 130 Cb 0.24 -2.61 0.00 0.00 -1.62 0.00 0.00 43.42 39.43 1wby n LEU 130 CO 0.20 -0.41 -0.48 0.29 -1.22 0.00 0.00 177.39 175.77 1wby n LYS 131 N -2.67 0.00 -3.25 3.23 5.02 -1.26 -4.61 118.16 114.62 1wby n LYS 131 Ca -0.21 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.90 1wby n LYS 131 Cb 0.65 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1wby n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wby s THR 132 N -1.97 3.57 -0.03 -0.18 -4.23 -1.26 -4.81 115.64 106.73 1wby s THR 132 Ca 0.00 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 1wby s THR 132 Cb 0.00 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 1wby s THR 132 CO 0.00 -0.09 -0.20 0.26 -0.54 0.00 0.00 174.62 174.06 1wby s TRP 133 N -2.26 1.82 -0.34 3.99 0.52 -1.26 -1.27 118.94 120.13 1wby s TRP 133 Ca 0.50 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 56.12 1wby s TRP 133 Cb -0.10 -1.19 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1wby s TRP 133 CO 0.32 -0.08 0.15 0.99 0.02 0.00 0.00 176.95 178.34 1wby s THR 134 N -0.30 4.24 -0.08 2.01 2.01 0.60 -4.92 115.64 119.19 1wby s THR 134 Ca 0.04 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.02 1wby s THR 134 Cb -0.09 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1wby s THR 134 CO 0.00 -0.12 0.45 0.00 -0.69 0.00 0.00 174.62 174.27 1wby s ALA 135 N 1.51 3.54 -0.18 7.40 0.00 -1.26 -1.63 121.76 131.14 1wby s ALA 135 Ca 0.01 -0.20 0.17 0.00 0.00 0.00 0.00 51.96 51.94 1wby s ALA 135 Cb -0.19 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.40 1wby s ALA 135 CO 0.05 0.14 1.29 0.00 0.00 0.00 0.00 175.76 177.23 1wby h ALA 136 N 6.14 0.69 -3.29 0.00 0.00 -1.41 -3.47 119.26 117.93 1wby h ALA 136 Ca -0.44 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 53.87 1wby h ALA 136 Cb 1.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1wby h ALA 136 CO 0.72 0.58 -0.06 -0.40 0.00 0.00 0.00 179.25 180.09 1wby n ASP 137 N -3.09 -0.76 -0.09 0.00 5.75 -1.26 -5.05 116.55 112.06 1wby n ASP 137 Ca -0.01 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 52.69 1wby n ASP 137 Cb 0.72 1.39 -0.02 0.00 -1.03 0.00 0.00 41.12 42.19 1wby n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1wby h MET 138 N 0.00 0.41 -0.20 0.11 2.86 -1.98 -2.36 114.93 113.77 1wby h MET 138 Ca -0.15 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1wby h MET 138 Cb 0.63 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1wby h MET 138 CO 0.20 0.29 -0.06 0.00 1.06 0.00 0.00 176.91 178.40 1wby h ALA 139 N 1.09 1.53 0.00 6.32 0.00 -1.98 -2.23 119.26 123.99 1wby h ALA 139 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wby h ALA 139 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wby h ALA 139 CO -0.02 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 1wby h ALA 140 N 1.65 0.96 -0.43 0.00 0.00 -1.79 -2.89 119.26 116.78 1wby h ALA 140 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wby h ALA 140 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wby h ALA 140 CO 0.01 0.22 0.05 1.96 0.00 0.00 0.00 179.25 181.50 1wby h GLN 141 N 0.00 0.66 -0.68 0.00 1.08 -0.88 0.25 115.11 115.53 1wby h GLN 141 Ca -0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1wby h GLN 141 Cb 0.83 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 1wby h GLN 141 CO 0.02 0.64 0.44 0.82 -0.95 0.00 0.00 178.83 179.80 1wby h ILE 142 N 0.63 1.18 -0.08 2.54 2.04 -1.50 -0.96 117.51 121.36 1wby h ILE 142 Ca 0.14 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 1wby h ILE 142 Cb 0.32 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1wby h ILE 142 CO 0.01 0.18 -0.44 0.74 0.00 0.00 0.00 178.15 178.64 1wby h THR 143 N 0.93 1.39 -0.40 -0.27 2.02 -1.46 -2.17 112.91 112.95 1wby h THR 143 Ca 0.25 -1.81 0.08 0.00 0.77 0.00 0.00 66.41 65.70 1wby h THR 143 Cb -0.08 2.28 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 1wby h THR 143 CO -0.05 0.53 -0.14 -0.09 0.37 0.00 0.00 175.52 176.14 1wby h ARG 144 N -0.01 -0.06 -0.47 6.66 2.43 -0.44 -0.96 114.38 121.54 1wby h ARG 144 Ca -0.03 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1wby h ARG 144 Cb 1.09 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1wby h ARG 144 CO 0.09 -0.04 0.06 0.00 -1.51 0.00 0.00 179.97 178.57 1wby h ARG 145 N -0.06 0.78 -0.70 0.20 3.08 -1.20 -0.68 114.38 115.80 1wby h ARG 145 Ca 0.19 -0.22 0.11 0.00 0.07 0.00 0.00 59.98 60.14 1wby h ARG 145 Cb 0.36 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1wby h ARG 145 CO -0.44 0.80 0.30 -0.22 -1.07 0.00 0.00 179.97 179.34 1wby h LYS 146 N 0.64 0.47 0.00 0.04 3.64 -1.21 -2.10 116.57 118.06 1wby h LYS 146 Ca 0.14 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 1wby h LYS 146 Cb 0.41 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1wby h LYS 146 CO 0.01 0.31 -0.96 -1.49 -2.27 0.00 0.00 179.45 175.05 1wby h TRP 147 N 0.49 0.00 -0.34 1.91 4.06 -0.81 -2.85 115.95 118.41 1wby h TRP 147 Ca 0.36 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.30 1wby h TRP 147 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 1wby h TRP 147 CO -0.15 0.86 0.18 0.93 -3.56 0.00 0.00 178.44 176.70 1wby h GLU 148 N 0.00 0.48 0.00 0.49 5.08 -1.07 -2.68 114.58 116.88 1wby h GLU 148 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1wby h GLU 148 Cb 1.69 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1wby h GLU 148 CO 0.11 0.42 0.00 0.94 -1.00 0.00 0.00 179.01 179.47 1wby n GLN 149 N -4.77 0.27 0.00 2.33 7.27 -0.80 -3.32 117.38 118.37 1wby n GLN 149 Ca -0.01 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1wby n GLN 149 Cb 0.09 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1wby n GLN 149 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1wby n SER 150 N -1.22 0.31 -2.99 1.69 3.41 -1.10 -5.03 113.62 108.70 1wby n SER 150 Ca 0.08 -0.63 -0.17 0.00 -0.26 0.00 0.00 58.87 57.88 1wby n SER 150 Cb 0.10 0.48 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 1wby n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wby n GLY 151 N 0.48 -0.24 0.18 5.00 0.00 -1.11 -4.95 105.19 104.54 1wby n GLY 151 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1wby n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wby h ALA 152 N 0.79 0.47 -0.63 4.61 0.00 -1.79 -3.27 119.26 119.44 1wby h ALA 152 Ca -0.47 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.41 1wby h ALA 152 Cb 1.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1wby h ALA 152 CO 0.43 0.09 0.42 0.00 0.00 0.00 0.00 179.25 180.19 1wby h ALA 153 N 0.97 2.05 -0.63 0.00 0.00 -1.87 -1.69 119.26 118.08 1wby h ALA 153 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wby h ALA 153 Cb 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1wby h ALA 153 CO -0.01 -0.20 0.21 0.93 0.00 0.00 0.00 179.25 180.19 1wby h GLU 154 N 0.40 0.95 -0.06 0.00 5.08 -1.81 0.14 114.58 119.27 1wby h GLU 154 Ca 0.29 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1wby h GLU 154 Cb 0.62 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wby h GLU 154 CO -0.08 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 179.99 1wby h HIS 155 N 0.93 0.11 -0.42 4.33 2.76 -1.45 -2.21 115.15 119.19 1wby h HIS 155 Ca 0.21 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1wby h HIS 155 Cb 0.24 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1wby h HIS 155 CO 0.02 0.37 0.06 1.88 -1.30 0.00 0.00 177.93 178.96 1wby h TYR 156 N -0.19 0.75 -0.64 5.26 0.05 -1.42 -2.49 116.97 118.29 1wby h TYR 156 Ca 0.02 -0.11 0.10 0.00 0.05 0.00 0.00 58.73 58.79 1wby h TYR 156 Cb 0.33 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.79 1wby h TYR 156 CO 0.03 0.73 0.23 -0.22 -1.05 0.00 0.00 178.16 177.88 1wby h LYS 157 N 0.55 0.40 -0.59 4.88 3.64 -0.74 -0.66 116.57 124.06 1wby h LYS 157 Ca 0.13 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1wby h LYS 157 Cb 0.39 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1wby h LYS 157 CO 0.01 0.26 0.16 0.00 -2.27 0.00 0.00 179.45 177.61 1wby h ALA 158 N 1.44 0.77 -0.03 5.00 0.00 -1.17 -1.85 119.26 123.43 1wby h ALA 158 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wby h ALA 158 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wby h ALA 158 CO -0.33 0.46 0.01 -0.92 0.00 0.00 0.00 179.25 178.47 1wby h TYR 159 N 0.84 0.02 -0.50 0.00 3.20 -1.02 -2.24 116.97 117.26 1wby h TYR 159 Ca 0.19 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1wby h TYR 159 Cb 0.32 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1wby h TYR 159 CO 0.02 0.01 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.45 1wby h LEU 160 N 0.02 0.83 0.00 2.82 3.38 -0.80 -1.80 115.31 119.77 1wby h LEU 160 Ca 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wby h LEU 160 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1wby h LEU 160 CO -0.01 0.91 -0.62 -0.33 0.09 0.00 0.00 178.44 178.48 1wby h GLU 161 N 0.79 0.00 0.00 1.13 5.08 -1.42 -3.35 114.58 116.81 1wby h GLU 161 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1wby h GLU 161 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wby h GLU 161 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1wby n GLY 162 N 1.28 0.21 0.24 -3.84 0.00 -0.84 -4.64 105.19 97.59 1wby n GLY 162 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1wby n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wby h GLU 163 N 0.00 0.14 -0.10 1.61 4.81 -1.66 -1.76 114.58 117.63 1wby h GLU 163 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1wby h GLU 163 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1wby h GLU 163 CO 0.00 0.09 -0.07 0.00 -0.73 0.00 0.00 179.01 178.30 1wby h VAL 165 N -0.08 1.11 0.09 0.00 2.07 -1.61 -1.53 116.25 116.31 1wby h VAL 165 Ca 0.06 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1wby h VAL 165 Cb 0.17 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1wby h VAL 165 CO -0.14 0.10 -0.15 -0.08 0.02 0.00 0.00 177.57 177.32 1wby h GLU 166 N 0.38 -0.29 -0.16 1.57 4.81 -1.16 -1.66 114.58 118.07 1wby h GLU 166 Ca 0.11 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1wby h GLU 166 Cb 0.01 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1wby h GLU 166 CO -0.02 -0.20 -0.53 -1.49 -0.73 0.00 0.00 179.01 176.04 1wby h TRP 167 N -0.31 0.58 -0.51 0.92 4.06 -1.36 -2.46 115.95 116.87 1wby h TRP 167 Ca 0.02 -0.20 0.06 0.00 2.06 0.00 0.00 58.89 60.83 1wby h TRP 167 Cb 0.32 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 1wby h TRP 167 CO -0.16 0.90 0.21 1.25 -3.56 0.00 0.00 178.44 177.08 1wby h LEU 168 N 0.36 0.26 -0.88 -4.49 5.85 -1.05 0.14 115.31 115.49 1wby h LEU 168 Ca 0.01 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1wby h LEU 168 Cb 1.05 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1wby h LEU 168 CO 0.10 0.18 0.56 0.45 -0.34 0.00 0.00 178.44 179.38 1wby h HIS 169 N 0.42 1.03 -0.17 1.25 3.86 -1.08 -0.38 115.15 120.08 1wby h HIS 169 Ca 0.24 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1wby h HIS 169 Cb 0.21 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1wby h HIS 169 CO -0.14 0.54 0.06 -0.09 0.86 0.00 0.00 177.93 179.16 1wby h ARG 170 N 1.03 0.27 -0.55 2.45 2.43 -0.81 -1.59 114.38 117.60 1wby h ARG 170 Ca 0.38 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1wby h ARG 170 Cb 0.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1wby h ARG 170 CO -0.16 0.38 -0.05 1.88 -1.51 0.00 0.00 179.97 180.51 1wby h TYR 171 N 0.11 1.09 -0.37 2.20 0.05 -0.47 0.26 116.97 119.84 1wby h TYR 171 Ca 0.06 -0.20 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1wby h TYR 171 Cb 0.22 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1wby h TYR 171 CO -0.00 0.99 0.02 -0.07 -1.05 0.00 0.00 178.16 178.05 1wby h LEU 172 N 0.90 0.53 0.19 3.88 3.38 -0.98 0.45 115.31 123.66 1wby h LEU 172 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wby h LEU 172 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wby h LEU 172 CO 0.04 0.59 -0.09 0.50 0.09 0.00 0.00 178.44 179.56 1wby h LYS 173 N 0.55 -0.25 -0.60 1.13 3.64 -0.86 -2.60 116.57 117.58 1wby h LYS 173 Ca 0.12 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1wby h LYS 173 Cb 0.32 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1wby h LYS 173 CO 0.01 0.16 0.36 -0.91 -2.27 0.00 0.00 179.45 176.80 1wby h ASN 174 N -0.83 0.59 -0.55 4.20 4.21 -0.34 -3.13 115.58 119.74 1wby h ASN 174 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1wby h ASN 174 Cb 0.52 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1wby h ASN 174 CO 0.04 0.41 0.00 0.61 -1.29 0.00 0.00 177.43 177.21 1wby n GLY 175 N -1.26 3.07 0.29 2.83 0.00 0.16 -4.74 105.19 105.53 1wby n GLY 175 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1wby n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wby h ASN 176 N 3.62 -0.63 1.19 1.61 -0.73 -1.40 0.13 115.58 119.38 1wby h ASN 176 Ca 0.00 0.23 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 1wby h ASN 176 Cb 1.66 0.45 -0.00 0.00 0.27 0.00 0.00 38.32 40.70 1wby h ASN 176 CO 0.34 -0.25 -0.06 0.00 -0.37 0.00 0.00 177.43 177.09 1wby h ALA 177 N 1.78 1.00 0.00 1.57 0.00 -1.87 -1.68 119.26 120.06 1wby h ALA 177 Ca 0.40 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1wby h ALA 177 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1wby h ALA 177 CO -0.78 0.08 -1.16 2.41 0.00 0.00 0.00 179.25 179.80 1wby n THR 178 N -3.16 1.50 -0.28 0.00 -1.04 -0.74 -4.07 114.28 106.49 1wby n THR 178 Ca 0.01 0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1wby n THR 178 Cb 0.38 -2.14 0.12 0.00 -1.82 0.00 0.00 70.33 66.88 1wby n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wby h LEU 179 N -1.00 0.71 -0.46 -4.42 4.07 -1.03 -3.03 115.31 110.16 1wby h LEU 179 Ca -0.27 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1wby h LEU 179 Cb 1.10 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1wby h LEU 179 CO -0.16 0.45 -0.34 0.18 -1.08 0.00 0.00 178.44 177.49 1wby n LEU 180 N -4.70 1.05 -4.71 1.67 4.32 -0.63 -4.90 117.00 109.09 1wby n LEU 180 Ca 0.11 -0.28 -0.34 0.00 -0.02 0.00 0.00 56.01 55.48 1wby n LEU 180 Cb 0.18 -0.13 0.11 0.00 -1.62 0.00 0.00 43.42 41.96 1wby n LEU 180 CO 0.30 0.20 0.79 -0.13 -1.22 0.00 0.00 177.39 177.33 1wby s ARG 181 N -2.59 1.93 0.28 3.23 0.52 -1.15 -5.08 118.95 116.10 1wby s ARG 181 Ca 0.21 1.75 0.08 0.00 -0.52 0.00 0.00 55.73 57.25 1wby s ARG 181 Cb 0.19 -1.81 -0.06 0.00 0.52 0.00 0.00 34.95 33.79 1wby s ARG 181 CO 0.56 -1.99 -0.09 0.95 0.02 0.00 0.00 175.30 174.75 1wby s THR 182 N -2.07 1.83 -0.22 0.02 -4.23 -1.26 -4.57 115.64 105.13 1wby s THR 182 Ca 0.74 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1wby s THR 182 Cb -0.29 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.20 1wby s THR 182 CO 0.48 -0.34 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.40 1wby s ASP 183 N -3.46 3.43 0.52 3.99 1.01 0.57 -4.93 116.67 117.80 1wby s ASP 183 Ca 0.29 -1.03 -0.21 0.00 0.71 0.00 0.00 52.55 52.31 1wby s ASP 183 Cb 0.02 -0.90 -0.06 0.00 1.01 0.00 0.00 42.92 42.99 1wby s ASP 183 CO 0.12 -0.28 1.14 -0.94 0.21 0.00 0.00 175.17 175.43 1wby s SER 184 N 1.61 5.86 0.52 0.27 1.04 -1.26 -0.59 113.70 121.16 1wby s SER 184 Ca -0.03 2.22 -0.23 0.00 0.48 0.00 0.00 55.95 58.39 1wby s SER 184 Cb -0.18 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.30 1wby s SER 184 CO -0.08 -1.13 1.39 -2.84 0.98 0.00 0.00 173.24 171.56 1wby s PRO 185 N -3.11 3.27 -0.26 4.02 0.02 -1.26 -4.58 135.00 133.10 1wby s PRO 185 Ca 0.70 2.30 -0.10 0.00 0.02 0.00 0.00 61.00 63.92 1wby s PRO 185 Cb -0.25 -2.36 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 1wby s PRO 185 CO 0.29 -1.11 0.16 0.15 -0.33 0.00 0.00 177.00 176.17 1wby s LYS 186 N -2.79 3.97 0.00 5.54 1.02 0.16 -4.87 119.74 122.78 1wby s LYS 186 Ca 0.69 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1wby s LYS 186 Cb -0.42 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 1wby s LYS 186 CO 0.51 -0.08 -0.22 0.00 -0.92 0.00 0.00 175.35 174.64 1wby s ALA 187 N 1.44 1.87 0.19 5.17 0.00 -1.26 -0.95 121.76 128.22 1wby s ALA 187 Ca 0.07 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1wby s ALA 187 Cb -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1wby s ALA 187 CO 0.08 0.45 0.48 -3.38 0.00 0.00 0.00 175.76 173.39 1wby s HIS 188 N -0.62 -0.05 -0.10 0.00 -3.43 -1.12 -5.00 115.29 104.97 1wby s HIS 188 Ca 0.09 -0.29 0.03 0.00 -0.80 0.00 0.00 55.06 54.08 1wby s HIS 188 Cb -0.09 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.38 1wby s HIS 188 CO 0.00 -0.88 -0.20 0.08 -2.00 0.00 0.00 174.74 171.74 1wby s VAL 189 N -3.88 2.44 0.36 -5.38 1.01 -1.26 -0.53 120.40 113.16 1wby s VAL 189 Ca 0.10 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1wby s VAL 189 Cb -0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1wby s VAL 189 CO -0.03 0.55 0.25 0.42 0.00 0.00 0.00 175.10 176.30 1wby s THR 190 N 0.20 3.10 -0.05 3.92 -4.23 0.32 -4.79 115.64 114.10 1wby s THR 190 Ca -0.12 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1wby s THR 190 Cb -0.16 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.63 1wby s THR 190 CO 0.07 -0.13 -0.03 -2.28 -0.54 0.00 0.00 174.62 171.71 1wby s HIS 191 N -2.40 0.72 0.05 3.99 2.46 -1.26 -2.02 115.29 116.83 1wby s HIS 191 Ca 0.41 -0.20 0.02 0.00 0.47 0.00 0.00 55.06 55.76 1wby s HIS 191 Cb -0.03 -0.71 -0.03 0.00 -0.13 0.00 0.00 32.58 31.68 1wby s HIS 191 CO 0.25 -0.24 -0.06 -1.01 -2.47 0.00 0.00 174.74 171.21 1wby s HIS 192 N 1.24 0.62 0.47 3.88 3.76 -0.81 -5.01 115.29 119.45 1wby s HIS 192 Ca -0.06 -0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 54.00 1wby s HIS 192 Cb -0.14 -0.38 -0.07 0.00 1.11 0.00 0.00 32.58 33.10 1wby s HIS 192 CO -0.02 -0.13 1.33 -2.14 -0.85 0.00 0.00 174.74 172.93 1wby s PRO 193 N -2.07 3.60 0.00 8.40 0.02 -1.26 -1.30 135.00 142.39 1wby s PRO 193 Ca -0.06 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1wby s PRO 193 Cb -0.06 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1wby s PRO 193 CO -0.01 -0.81 0.00 -2.13 -0.33 0.00 0.00 177.00 173.72 1wby n ARG 194 N -0.41 0.00 -4.01 5.54 3.00 -0.95 -4.61 116.66 115.22 1wby n ARG 194 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.81 1wby n ARG 194 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.86 1wby n ARG 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wby s SER 195 N -3.33 0.14 -0.33 6.15 1.04 -0.92 -5.03 113.70 111.43 1wby s SER 195 Ca 0.00 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1wby s SER 195 Cb 0.00 0.62 -0.13 0.00 0.10 0.00 0.00 66.02 66.61 1wby s SER 195 CO 0.00 -1.21 1.31 1.17 0.98 0.00 0.00 173.24 175.49 1wby n LYS 196 N -0.43 0.00 -1.78 4.02 3.00 -1.26 0.99 118.16 122.70 1wby n LYS 196 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.13 1wby n LYS 196 Cb 0.62 -0.98 -0.05 0.00 0.00 0.00 0.00 35.03 34.62 1wby n LYS 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wby n GLY 197 N 4.35 1.00 3.01 3.14 0.00 -1.26 -4.99 105.19 110.44 1wby n GLY 197 Ca 0.32 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1wby n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wby s GLU 198 N -3.93 0.16 0.11 1.61 2.02 0.28 -1.20 118.70 117.74 1wby s GLU 198 Ca 0.00 0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.26 1wby s GLU 198 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 1wby s GLU 198 CO 0.00 -0.04 -0.11 0.14 0.02 0.00 0.00 175.26 175.27 1wby s VAL 199 N 0.24 1.08 -0.11 2.63 -7.23 0.77 -2.16 120.40 115.62 1wby s VAL 199 Ca -0.01 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1wby s VAL 199 Cb -0.03 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 1wby s VAL 199 CO -0.01 -0.53 0.29 -0.89 -0.31 0.00 0.00 175.10 173.65 1wby s THR 200 N -2.42 5.28 -0.22 5.32 2.01 -0.42 0.12 115.64 125.30 1wby s THR 200 Ca 0.07 0.55 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 1wby s THR 200 Cb -0.03 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1wby s THR 200 CO 0.01 0.48 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 1wby s LEU 201 N -0.19 3.14 -0.16 4.42 1.43 0.05 -1.92 118.68 125.44 1wby s LEU 201 Ca 0.18 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1wby s LEU 201 Cb -0.14 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1wby s LEU 201 CO 0.06 -0.00 -0.14 -0.60 0.23 0.00 0.00 176.35 175.90 1wby s ARG 202 N 1.40 3.27 -0.33 1.70 3.52 -0.86 -1.38 118.95 126.27 1wby s ARG 202 Ca 0.05 -0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 54.83 1wby s ARG 202 Cb -0.15 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1wby s ARG 202 CO 0.00 0.03 0.15 0.00 -0.81 0.00 0.00 175.30 174.67 1wby s TRP 204 N 1.55 3.51 -0.04 0.00 0.52 0.32 -1.90 118.94 122.90 1wby s TRP 204 Ca 0.03 0.61 -0.02 0.00 0.02 0.00 0.00 56.10 56.74 1wby s TRP 204 Cb -0.18 -2.04 0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1wby s TRP 204 CO 0.05 0.47 0.06 0.00 0.02 0.00 0.00 176.95 177.55 1wby s ALA 205 N -1.56 0.18 0.11 0.98 0.00 0.21 -2.80 121.76 118.88 1wby s ALA 205 Ca 0.38 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1wby s ALA 205 Cb -0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1wby s ALA 205 CO 0.22 -0.41 -0.11 -0.51 0.00 0.00 0.00 175.76 174.95 1wby s LEU 206 N 1.94 2.43 -1.13 0.00 1.43 -0.13 -1.20 118.68 122.03 1wby s LEU 206 Ca 0.02 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1wby s LEU 206 Cb -0.12 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1wby s LEU 206 CO -0.03 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1wby n GLY 207 N 0.40 0.87 3.94 -3.19 0.00 -0.88 -0.66 105.19 105.66 1wby n GLY 207 Ca -0.15 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1wby n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wby s PHE 208 N -2.46 3.50 -0.24 1.61 -0.12 -1.00 -4.68 117.98 114.58 1wby s PHE 208 Ca 0.00 0.17 -0.21 0.00 -0.05 0.00 0.00 56.93 56.83 1wby s PHE 208 Cb 0.00 -1.70 0.06 0.00 -0.63 0.00 0.00 43.02 40.75 1wby s PHE 208 CO 0.00 0.54 0.63 -0.47 -0.05 0.00 0.00 175.22 175.87 1wby s TYR 209 N -1.67 -0.72 0.40 3.49 5.04 0.24 -0.87 117.35 123.26 1wby s TYR 209 Ca 0.35 1.72 -0.07 0.00 -2.44 0.00 0.00 57.07 56.64 1wby s TYR 209 Cb -0.12 0.27 0.10 0.00 0.35 0.00 0.00 41.96 42.56 1wby s TYR 209 CO 0.28 -0.35 0.40 -0.35 -1.34 0.00 0.00 175.55 174.19 1wby n PRO 210 N 2.88 -1.37 0.26 4.97 -0.04 -1.26 -0.31 135.00 140.13 1wby n PRO 210 Ca -0.14 -0.63 0.12 0.00 -0.04 0.00 0.00 63.50 62.81 1wby n PRO 210 Cb 0.56 -0.53 0.71 0.00 -0.04 0.00 0.00 33.50 34.20 1wby n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wby h ALA 211 N -2.16 1.32 -2.58 0.55 0.00 -1.95 -3.45 119.26 110.99 1wby h ALA 211 Ca -0.14 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 1wby h ALA 211 Cb 0.42 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wby h ALA 211 CO 0.10 0.15 0.67 -0.51 0.00 0.00 0.00 179.25 179.66 1wby s ASP 212 N -6.22 6.89 0.02 0.00 1.11 -1.26 -5.00 116.67 112.22 1wby s ASP 212 Ca -0.03 2.30 -0.28 0.00 0.18 0.00 0.00 52.55 54.73 1wby s ASP 212 Cb 0.13 -2.59 0.09 0.00 1.07 0.00 0.00 42.92 41.62 1wby s ASP 212 CO 0.59 -0.58 0.76 -0.51 1.18 0.00 0.00 175.17 176.61 1wby s ILE 213 N 0.74 0.00 -0.07 0.77 2.07 -1.26 -4.65 121.20 118.80 1wby s ILE 213 Ca 0.61 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 1wby s ILE 213 Cb -0.36 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.26 1wby s ILE 213 CO 0.33 0.00 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.41 1wby s THR 214 N -2.62 0.73 -0.08 4.00 2.01 -0.58 -4.99 115.64 114.10 1wby s THR 214 Ca -0.01 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1wby s THR 214 Cb -0.01 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1wby s THR 214 CO -0.05 0.29 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.21 1wby s LEU 215 N 1.18 2.37 0.06 4.42 1.43 -1.26 -0.59 118.68 126.30 1wby s LEU 215 Ca -0.06 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1wby s LEU 215 Cb -0.14 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1wby s LEU 215 CO -0.02 0.23 -0.09 0.42 0.23 0.00 0.00 176.35 177.13 1wby s THR 216 N -0.05 0.69 0.23 5.49 -4.23 -0.72 -5.00 115.64 112.06 1wby s THR 216 Ca -0.05 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1wby s THR 216 Cb -0.14 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 1wby s THR 216 CO 0.04 -0.46 -0.13 0.26 -0.54 0.00 0.00 174.62 173.80 1wby s TRP 217 N -1.83 2.50 -0.09 3.99 0.52 -1.26 -1.27 118.94 121.49 1wby s TRP 217 Ca -0.04 -0.27 -0.08 0.00 0.02 0.00 0.00 56.10 55.73 1wby s TRP 217 Cb -0.07 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1wby s TRP 217 CO -0.00 0.59 0.24 -0.65 0.02 0.00 0.00 176.95 177.15 1wby s GLN 218 N -3.20 0.27 -0.02 4.98 -0.21 0.36 -2.25 119.66 119.60 1wby s GLN 218 Ca 0.27 0.36 0.02 0.00 0.02 0.00 0.00 55.36 56.03 1wby s GLN 218 Cb -0.07 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.05 1wby s GLN 218 CO 0.15 -0.05 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.03 1wby s LEU 219 N 0.27 1.81 -1.67 2.90 2.96 -0.94 -1.28 118.68 122.74 1wby s LEU 219 Ca -0.01 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1wby s LEU 219 Cb -0.03 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.21 1wby s LEU 219 CO -0.01 0.06 0.00 0.59 -1.32 0.00 0.00 176.35 175.67 1wby n ASN 220 N 3.24 -4.42 0.00 3.68 3.02 -1.26 -1.39 115.26 118.14 1wby n ASN 220 Ca -0.17 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1wby n ASN 220 Cb 0.55 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1wby n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wby n GLY 221 N -0.42 0.68 3.32 7.41 0.00 -1.26 -5.07 105.19 109.85 1wby n GLY 221 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1wby n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wby s GLU 222 N -0.74 1.64 0.78 1.61 -1.05 -0.48 -5.11 118.70 115.34 1wby s GLU 222 Ca 0.00 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.61 1wby s GLU 222 Cb 0.00 -1.82 0.07 0.00 -0.44 0.00 0.00 34.13 31.93 1wby s GLU 222 CO 0.00 0.47 1.16 -1.21 0.95 0.00 0.00 175.26 176.63 1wby s GLU 223 N -1.29 1.93 -0.25 -4.83 0.41 -1.26 -2.21 118.70 111.21 1wby s GLU 223 Ca 0.11 1.59 0.12 0.00 -0.41 0.00 0.00 54.97 56.37 1wby s GLU 223 Cb -0.10 -1.83 0.46 0.00 -1.78 0.00 0.00 34.13 30.88 1wby s GLU 223 CO 0.02 -1.96 1.18 1.28 -0.49 0.00 0.00 175.26 175.30 1wby n LEU 224 N -3.19 3.58 -0.16 1.80 4.77 -0.95 -4.86 117.00 117.98 1wby n LEU 224 Ca 0.12 -4.07 -0.07 0.00 -0.03 0.00 0.00 56.01 51.96 1wby n LEU 224 Cb 0.51 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1wby n LEU 224 CO 0.49 1.65 0.49 0.71 -1.33 0.00 0.00 177.39 179.40 1wby h THR 225 N 2.82 0.00 -3.21 -5.08 1.35 -1.94 -2.97 112.91 103.87 1wby h THR 225 Ca 0.16 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.48 1wby h THR 225 Cb 1.40 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1wby h THR 225 CO 0.44 0.00 0.56 0.00 -0.25 0.00 0.00 175.52 176.27 1wby s GLN 226 N -4.40 4.43 0.00 4.72 -2.07 -1.26 -3.38 119.66 117.71 1wby s GLN 226 Ca -0.07 1.65 0.00 0.00 -1.82 0.00 0.00 55.36 55.12 1wby s GLN 226 Cb 0.05 -3.44 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 1wby s GLN 226 CO 0.34 -0.27 0.00 -0.25 -1.32 0.00 0.00 175.29 173.78 1wby n ASP 227 N 4.35 0.00 -4.49 12.60 9.92 -1.23 -5.11 116.55 132.59 1wby n ASP 227 Ca 0.09 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.02 1wby n ASP 227 Cb 0.47 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.83 1wby n ASP 227 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wby s MET 228 N -0.27 2.55 -0.16 -1.24 0.23 -1.12 -4.43 119.30 114.86 1wby s MET 228 Ca 0.00 -0.67 -0.15 0.00 -1.03 0.00 0.00 55.69 53.83 1wby s MET 228 Cb 0.00 -2.41 -0.04 0.00 -1.53 0.00 0.00 34.83 30.84 1wby s MET 228 CO 0.00 0.62 0.35 -2.00 -2.03 0.00 0.00 175.02 171.96 1wby s GLU 229 N -0.72 4.27 -0.19 3.16 2.12 0.52 -4.93 118.70 122.92 1wby s GLU 229 Ca 0.11 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.64 1wby s GLU 229 Cb -0.11 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.88 1wby s GLU 229 CO 0.01 0.18 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.64 1wby s LEU 230 N 0.61 2.12 0.90 2.70 2.96 -1.26 -0.25 118.68 126.46 1wby s LEU 230 Ca 0.19 -0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 1wby s LEU 230 Cb -0.14 -1.18 0.13 0.00 0.50 0.00 0.00 46.19 45.50 1wby s LEU 230 CO 0.06 -0.14 1.09 0.68 -1.32 0.00 0.00 176.35 176.72 1wby s VAL 231 N 1.44 2.65 0.18 1.68 -7.23 -1.02 -5.01 120.40 113.08 1wby s VAL 231 Ca -0.00 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 1wby s VAL 231 Cb -0.16 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 1wby s VAL 231 CO -0.08 -0.27 1.00 -1.61 -0.31 0.00 0.00 175.10 173.83 1wby s GLU 232 N -4.95 4.71 0.32 4.82 8.01 -1.26 -4.75 118.70 125.60 1wby s GLU 232 Ca 0.63 1.56 -0.29 0.00 0.01 0.00 0.00 54.97 56.88 1wby s GLU 232 Cb -0.18 -3.31 -0.11 0.00 -4.31 0.00 0.00 34.13 26.22 1wby s GLU 232 CO 0.57 0.26 1.51 0.99 0.01 0.00 0.00 175.26 178.60 1wby s THR 233 N -0.48 2.19 0.02 3.63 2.01 -1.26 -4.89 115.64 116.86 1wby s THR 233 Ca 0.46 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1wby s THR 233 Cb -0.26 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1wby s THR 233 CO 0.33 0.03 -0.08 0.00 -0.69 0.00 0.00 174.62 174.21 1wby s ARG 234 N -1.17 0.54 0.22 4.92 1.70 -0.85 -4.98 118.95 119.33 1wby s ARG 234 Ca 0.58 -0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1wby s ARG 234 Cb -0.46 -0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 33.41 1wby s ARG 234 CO 0.53 0.10 1.15 -1.25 -1.08 0.00 0.00 175.30 174.75 1wby s PRO 235 N -0.96 4.55 0.42 3.89 0.04 -1.26 -0.50 135.00 141.18 1wby s PRO 235 Ca -0.04 1.84 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1wby s PRO 235 Cb -0.07 -3.22 0.83 0.00 0.04 0.00 0.00 34.50 32.08 1wby s PRO 235 CO 0.00 0.04 1.77 0.00 0.04 0.00 0.00 177.00 178.85 1wby h ALA 236 N 4.63 1.00 0.00 8.56 0.00 -1.11 -3.46 119.26 128.88 1wby h ALA 236 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wby h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wby h ALA 236 CO 0.71 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1wby n GLY 237 N 0.65 1.16 0.46 0.00 0.00 -1.26 -4.95 105.19 101.26 1wby n GLY 237 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1wby n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wby n ASP 238 N 0.00 2.77 0.00 1.61 5.68 -1.26 -4.94 116.55 120.42 1wby n ASP 238 Ca 0.00 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1wby n ASP 238 Cb 0.00 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1wby n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wby n GLY 239 N -0.04 1.79 4.01 6.12 0.00 -1.26 -5.07 105.19 110.74 1wby n GLY 239 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1wby n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wby s THR 240 N -2.40 2.81 0.24 2.61 -4.23 -1.26 -4.88 115.64 108.53 1wby s THR 240 Ca 0.00 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1wby s THR 240 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 1wby s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1wby s PHE 241 N -2.49 1.70 0.07 3.99 0.40 -0.04 -0.54 117.98 121.07 1wby s PHE 241 Ca 0.57 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 1wby s PHE 241 Cb -0.09 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 1wby s PHE 241 CO 0.35 0.13 -0.14 -0.65 0.70 0.00 0.00 175.22 175.61 1wby s GLN 242 N -3.78 0.81 0.05 0.44 -0.21 0.35 -2.08 119.66 115.24 1wby s GLN 242 Ca 0.27 -0.92 -0.19 0.00 0.02 0.00 0.00 55.36 54.54 1wby s GLN 242 Cb 0.04 -0.80 0.04 0.00 1.00 0.00 0.00 33.01 33.29 1wby s GLN 242 CO 0.09 0.18 0.45 0.21 -2.12 0.00 0.00 175.29 174.10 1wby s LYS 243 N -1.67 0.97 0.12 2.91 2.20 -0.34 -2.01 119.74 121.92 1wby s LYS 243 Ca -0.02 -0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.17 1wby s LYS 243 Cb -0.10 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1wby s LYS 243 CO 0.02 -0.35 0.17 1.67 -0.36 0.00 0.00 175.35 176.50 1wby s TRP 244 N -2.60 0.43 -0.06 4.03 1.48 -1.26 -0.62 118.94 120.34 1wby s TRP 244 Ca -0.04 -0.85 -0.03 0.00 -1.06 0.00 0.00 56.10 54.12 1wby s TRP 244 Cb -0.01 -0.19 0.04 0.00 -1.16 0.00 0.00 33.47 32.15 1wby s TRP 244 CO -0.03 -0.58 0.14 0.00 -4.06 0.00 0.00 176.95 172.42 1wby s ALA 245 N -3.95 -0.24 0.17 2.67 0.00 -0.80 -2.45 121.76 117.17 1wby s ALA 245 Ca 0.13 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.83 1wby s ALA 245 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1wby s ALA 245 CO -0.04 -0.17 -0.16 -1.54 0.00 0.00 0.00 175.76 173.85 1wby s SER 246 N 1.21 2.48 0.05 0.00 1.04 0.66 -0.44 113.70 118.70 1wby s SER 246 Ca -0.09 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.45 1wby s SER 246 Cb -0.12 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1wby s SER 246 CO -0.06 -0.12 -0.08 0.68 0.98 0.00 0.00 173.24 174.64 1wby s VAL 247 N -2.47 0.60 -0.14 5.02 -7.23 -0.48 -0.35 120.40 115.34 1wby s VAL 247 Ca 0.17 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 1wby s VAL 247 Cb -0.03 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 1wby s VAL 247 CO 0.06 -0.38 0.35 -0.69 -0.31 0.00 0.00 175.10 174.12 1wby s VAL 248 N -1.45 5.27 0.03 1.32 1.01 -1.26 -0.77 120.40 124.55 1wby s VAL 248 Ca -0.09 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1wby s VAL 248 Cb -0.09 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1wby s VAL 248 CO 0.00 0.38 -0.11 -0.69 0.00 0.00 0.00 175.10 174.68 1wby s VAL 249 N 0.46 0.87 0.33 2.92 1.01 0.32 -4.93 120.40 121.37 1wby s VAL 249 Ca 0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1wby s VAL 249 Cb -0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.32 1wby s VAL 249 CO 0.06 -0.08 1.45 -2.84 0.00 0.00 0.00 175.10 173.69 1wby s PRO 250 N -1.12 4.20 -0.30 2.72 0.02 -1.26 -0.16 135.00 139.11 1wby s PRO 250 Ca -0.01 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 1wby s PRO 250 Cb -0.08 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.41 1wby s PRO 250 CO 0.01 -0.44 1.35 -1.17 -0.33 0.00 0.00 177.00 176.42 1wby s LEU 251 N -1.42 3.86 0.00 -5.54 2.96 -0.34 -2.20 118.68 116.00 1wby s LEU 251 Ca 0.55 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1wby s LEU 251 Cb -0.44 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.71 1wby s LEU 251 CO 0.54 -1.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 1wby n GLY 252 N 4.41 1.48 0.49 7.98 0.00 -1.26 -4.97 105.19 113.31 1wby n GLY 252 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1wby n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wby n LYS 253 N -0.58 1.81 -0.24 1.61 4.01 -0.93 -4.77 118.16 119.07 1wby n LYS 253 Ca 0.00 -2.83 -0.08 0.00 -0.51 0.00 0.00 58.31 54.89 1wby n LYS 253 Cb 0.00 -1.64 0.04 0.00 -0.51 0.00 0.00 35.03 32.91 1wby n LYS 253 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1wby h GLU 254 N 0.72 1.08 0.00 1.97 3.07 -1.94 -3.04 114.58 116.45 1wby h GLU 254 Ca 0.03 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1wby h GLU 254 Cb 1.19 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1wby h GLU 254 CO 0.10 0.98 -0.00 1.96 -1.40 0.00 0.00 179.01 180.65 1wby h GLN 255 N 1.01 0.00 0.00 2.33 1.08 -1.86 -0.97 115.11 116.69 1wby h GLN 255 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1wby h GLN 255 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1wby h GLN 255 CO 0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 1wby n ASN 256 N -3.69 0.00 -4.52 1.46 5.03 -1.15 -4.75 115.26 107.65 1wby n ASN 256 Ca -0.03 0.32 -0.34 0.00 0.87 0.00 0.00 54.58 55.41 1wby n ASN 256 Cb 0.08 -0.41 -0.12 0.00 -1.02 0.00 0.00 39.78 38.31 1wby n ASN 256 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1wby s TYR 257 N -2.82 2.94 0.03 3.10 1.51 -0.37 -4.02 117.35 117.72 1wby s TYR 257 Ca 0.09 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1wby s TYR 257 Cb 0.09 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1wby s TYR 257 CO 0.23 0.12 -0.07 0.95 -1.11 0.00 0.00 175.55 175.67 1wby s THR 258 N -0.24 0.52 -0.07 -0.71 -4.23 -0.40 -4.42 115.64 106.09 1wby s THR 258 Ca 0.03 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1wby s THR 258 Cb -0.13 -0.55 -0.02 0.00 1.34 0.00 0.00 72.50 73.15 1wby s THR 258 CO 0.03 -0.22 -0.16 0.00 -0.54 0.00 0.00 174.62 173.73 1wby s ARG 260 N -0.35 2.69 -0.14 0.00 3.00 -0.40 0.16 118.95 123.91 1wby s ARG 260 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 55.73 54.88 1wby s ARG 260 Cb -0.12 -2.21 -0.01 0.00 0.00 0.00 0.00 34.95 32.60 1wby s ARG 260 CO 0.02 0.34 -0.14 0.08 0.00 0.00 0.00 175.30 175.60 1wby s VAL 261 N -0.05 2.84 -0.10 3.52 1.01 -1.03 -1.76 120.40 124.84 1wby s VAL 261 Ca -0.07 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1wby s VAL 261 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1wby s VAL 261 CO 0.05 0.52 -0.20 -0.31 0.00 0.00 0.00 175.10 175.16 1wby s TYR 262 N 0.54 2.63 -0.17 5.22 1.51 0.25 -2.30 117.35 125.02 1wby s TYR 262 Ca -0.09 -0.76 -0.28 0.00 -1.01 0.00 0.00 57.07 54.93 1wby s TYR 262 Cb -0.16 -1.72 0.09 0.00 -0.11 0.00 0.00 41.96 40.05 1wby s TYR 262 CO 0.04 -0.25 0.79 -1.58 -1.11 0.00 0.00 175.55 173.44 1wby s HIS 263 N 0.14 -0.63 0.51 2.71 2.46 -1.26 -1.53 115.29 117.68 1wby s HIS 263 Ca -0.10 1.32 0.34 0.00 0.47 0.00 0.00 55.06 57.09 1wby s HIS 263 Cb -0.16 0.36 1.48 0.00 -0.13 0.00 0.00 32.58 34.13 1wby s HIS 263 CO 0.06 -0.44 1.76 0.93 -2.47 0.00 0.00 174.74 174.58 1wby h GLU 264 N 3.76 0.08 -0.02 2.88 5.08 -1.93 0.26 114.58 124.69 1wby h GLU 264 Ca -0.27 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1wby h GLU 264 Cb 1.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wby h GLU 264 CO 0.23 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 1wby n GLY 265 N -1.71 -0.63 3.23 -3.84 0.00 -1.26 -4.65 105.19 96.33 1wby n GLY 265 Ca 0.28 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1wby n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wby s LEU 266 N -1.89 4.38 0.09 0.99 1.02 0.92 -4.70 118.68 119.49 1wby s LEU 266 Ca 0.41 -1.31 -0.28 0.00 0.02 0.00 0.00 54.13 52.97 1wby s LEU 266 Cb 0.20 -1.83 -0.14 0.00 0.02 0.00 0.00 46.19 44.43 1wby s LEU 266 CO 0.32 -0.35 1.67 1.55 0.02 0.00 0.00 176.35 179.56 1wby h PRO 267 N 8.16 -0.45 -5.45 1.29 0.13 -1.82 -3.43 132.00 130.43 1wby h PRO 267 Ca -0.21 0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.30 1wby h PRO 267 Cb 1.07 0.10 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 1wby h PRO 267 CO 0.61 -0.30 -0.70 -2.00 -0.23 0.00 0.00 178.00 175.38 1wby s GLU 268 N -6.11 3.44 0.59 0.86 2.56 -1.26 -5.11 118.70 113.67 1wby s GLU 268 Ca -0.15 -0.56 -0.20 0.00 0.00 0.00 0.00 54.97 54.05 1wby s GLU 268 Cb 0.06 -2.79 -0.03 0.00 2.00 0.00 0.00 34.13 33.37 1wby s GLU 268 CO 0.64 0.31 1.33 -1.25 -0.56 0.00 0.00 175.26 175.73 1wby s PRO 269 N 0.15 2.87 0.38 4.30 0.04 -1.26 -5.00 135.00 136.49 1wby s PRO 269 Ca -0.03 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 1wby s PRO 269 Cb -0.14 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1wby s PRO 269 CO 0.03 -1.37 0.96 -0.51 0.04 0.00 0.00 177.00 176.15 1wby s LEU 270 N -3.91 4.14 -0.14 -3.56 1.43 -0.97 -4.90 118.68 110.76 1wby s LEU 270 Ca 0.77 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1wby s LEU 270 Cb -0.39 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1wby s LEU 270 CO 0.44 -0.27 -0.16 -0.89 0.23 0.00 0.00 176.35 175.70 1wby s THR 271 N -1.86 1.68 0.20 5.49 2.01 -1.26 -2.48 115.64 119.43 1wby s THR 271 Ca 0.57 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1wby s THR 271 Cb -0.15 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1wby s THR 271 CO 0.20 0.48 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.67 1wby s LEU 272 N 1.29 2.51 0.01 4.42 1.02 0.12 -4.97 118.68 123.09 1wby s LEU 272 Ca 0.02 -0.95 -0.17 0.00 0.02 0.00 0.00 54.13 53.04 1wby s LEU 272 Cb -0.13 -0.86 0.03 0.00 0.02 0.00 0.00 46.19 45.25 1wby s LEU 272 CO -0.08 -0.05 0.38 -0.60 0.02 0.00 0.00 176.35 176.02 1wby s ARG 273 N -3.22 0.82 -0.10 1.70 3.52 -1.26 -0.49 118.95 119.92 1wby s ARG 273 Ca 0.21 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1wby s ARG 273 Cb -0.04 0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1wby s ARG 273 CO 0.09 -0.26 1.32 -0.46 -0.81 0.00 0.00 175.30 175.18 1wby s TRP 274 N -1.90 2.81 -0.44 5.12 -0.11 -1.26 -4.73 118.94 118.44 1wby s TRP 274 Ca -0.09 0.92 -0.05 0.00 1.22 0.00 0.00 56.10 58.10 1wby s TRP 274 Cb -0.02 -3.56 0.12 0.00 -1.50 0.00 0.00 33.47 28.50 1wby s TRP 274 CO 0.01 -2.01 0.26 -1.83 -4.62 0.00 0.00 176.95 168.76 1wby s GLU 275 N 3.09 2.16 0.00 5.86 1.03 -1.26 -4.79 118.70 124.79 1wby s GLU 275 Ca 0.59 -1.83 0.08 0.00 0.03 0.00 0.00 54.97 53.84 1wby s GLU 275 Cb -0.25 -3.69 0.48 0.00 -0.80 0.00 0.00 34.13 29.86 1wby s GLU 275 CO 0.20 -1.11 0.94 -0.35 -1.33 0.00 0.00 175.26 173.60