#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yx6 s ARG 2 N 0.00 4.01 -0.04 3.17 3.52 -1.26 0.10 118.95 128.46 2yx6 s ARG 2 Ca 0.00 -0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 2yx6 s ARG 2 Cb 0.00 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2yx6 s ARG 2 CO 0.00 0.34 -0.22 0.08 -0.81 0.00 0.00 175.30 174.68 2yx6 s VAL 3 N 0.22 1.81 0.03 7.11 1.01 0.23 -0.89 120.40 129.92 2yx6 s VAL 3 Ca 0.06 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2yx6 s VAL 3 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2yx6 s VAL 3 CO -0.01 0.51 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 2yx6 s ALA 4 N -0.31 3.25 -0.09 5.51 0.00 0.57 -0.63 121.76 130.06 2yx6 s ALA 4 Ca 0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 2yx6 s ALA 4 Cb -0.11 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.79 2yx6 s ALA 4 CO 0.01 0.66 0.10 0.42 0.00 0.00 0.00 175.76 176.95 2yx6 s ILE 5 N -1.14 -0.16 0.16 0.00 1.01 -0.07 -1.18 121.20 119.83 2yx6 s ILE 5 Ca 0.21 0.25 -0.32 0.00 0.00 0.00 0.00 60.65 60.80 2yx6 s ILE 5 Cb -0.11 -0.31 -0.10 0.00 0.01 0.00 0.00 42.46 41.94 2yx6 s ILE 5 CO 0.12 0.05 1.65 -2.16 0.00 0.00 0.00 174.94 174.60 2yx6 s PRO 6 N 2.20 4.18 -0.08 2.79 0.04 -1.25 -1.15 135.00 141.72 2yx6 s PRO 6 Ca 0.04 2.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.53 2yx6 s PRO 6 Cb -0.13 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2yx6 s PRO 6 CO -0.06 -0.69 -0.05 0.00 0.04 0.00 0.00 177.00 176.25 2yx6 s ALA 7 N 1.47 3.06 0.10 8.56 0.00 0.77 -0.84 121.76 134.88 2yx6 s ALA 7 Ca 0.73 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 2yx6 s ALA 7 Cb -0.45 -1.33 -0.11 0.00 0.00 0.00 0.00 23.12 21.23 2yx6 s ALA 7 CO 0.32 0.53 1.68 1.49 0.00 0.00 0.00 175.76 179.78 2yx6 h GLU 8 N 5.41 -0.33 0.00 0.00 4.81 -1.40 -3.31 114.58 119.76 2yx6 h GLU 8 Ca -0.47 0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.31 2yx6 h GLU 8 Cb 1.18 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.54 2yx6 h GLU 8 CO 0.54 -0.22 -0.37 -0.40 -0.73 0.00 0.00 179.01 177.83 2yx6 n ASP 9 N -5.29 1.97 -4.57 1.04 5.75 -1.26 -4.79 116.55 109.40 2yx6 n ASP 9 Ca -0.07 -2.74 -0.29 0.00 -0.01 0.00 0.00 54.79 51.68 2yx6 n ASP 9 Cb 0.20 0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 40.83 2yx6 n ASP 9 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2yx6 n ASP 10 N -1.47 3.15 0.00 -1.12 5.68 -1.26 -4.85 116.55 116.68 2yx6 n ASP 10 Ca -0.10 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.49 2yx6 n ASP 10 Cb 0.50 -1.74 0.00 0.00 -1.14 0.00 0.00 41.12 38.74 2yx6 n ASP 10 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 2yx6 n ILE 13 N 7.73 0.76 1.05 2.12 5.41 -1.26 -4.77 119.36 130.39 2yx6 n ILE 13 Ca 0.45 0.41 0.07 0.00 1.00 0.00 0.00 62.75 64.68 2yx6 n ILE 13 Cb 0.46 -1.41 0.24 0.00 -0.71 0.00 0.00 39.64 38.23 2yx6 n ILE 13 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2yx6 n LYS 14 N -1.14 1.76 -2.60 0.38 5.02 -1.26 -1.03 118.16 119.29 2yx6 n LYS 14 Ca 0.00 -1.16 -0.16 0.00 -2.02 0.00 0.00 58.31 54.97 2yx6 n LYS 14 Cb 0.22 -1.31 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 2yx6 n LYS 14 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2yx6 n SER 15 N 0.41 1.68 -4.71 4.39 3.41 -1.26 -4.91 113.62 112.64 2yx6 n SER 15 Ca 0.13 -2.24 -0.31 0.00 -0.26 0.00 0.00 58.87 56.19 2yx6 n SER 15 Cb 0.30 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 2yx6 n SER 15 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2yx6 s ASN 16 N -4.04 5.17 -0.01 4.04 0.02 -1.26 -0.51 114.94 118.35 2yx6 s ASN 16 Ca 0.51 -0.09 -0.37 0.00 -1.02 0.00 0.00 52.86 51.89 2yx6 s ASN 16 Cb -0.04 -1.30 -0.16 0.00 0.02 0.00 0.00 41.25 39.77 2yx6 s ASN 16 CO 0.33 0.20 1.49 0.52 0.02 0.00 0.00 177.10 179.66 2yx6 n VAL 17 N 0.78 0.10 -2.33 1.60 0.31 0.06 -1.12 118.33 117.74 2yx6 n VAL 17 Ca -0.11 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 2yx6 n VAL 17 Cb 0.52 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 2yx6 n VAL 17 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2yx6 s SER 18 N 1.45 7.03 0.34 4.52 1.04 -0.02 -4.68 113.70 123.37 2yx6 s SER 18 Ca 0.88 2.28 0.02 0.00 0.48 0.00 0.00 55.95 59.61 2yx6 s SER 18 Cb -0.95 -2.61 0.60 0.00 0.10 0.00 0.00 66.02 63.16 2yx6 s SER 18 CO 0.51 -0.42 1.96 0.11 0.98 0.00 0.00 173.24 176.37 2yx6 h LYS 19 N 5.32 0.77 -4.78 4.02 1.57 -1.91 -3.38 116.57 118.18 2yx6 h LYS 19 Ca -0.44 -0.08 -0.66 0.00 -1.87 0.00 0.00 60.65 57.59 2yx6 h LYS 19 Cb 1.21 -0.15 -0.37 0.00 0.08 0.00 0.00 32.23 33.00 2yx6 h LYS 19 CO 0.75 0.58 -0.80 -1.01 -0.57 0.00 0.00 179.45 178.40 2yx6 s HIS 20 N -5.49 3.05 -0.04 -1.35 3.76 -1.26 -1.48 115.29 112.48 2yx6 s HIS 20 Ca -0.09 -2.15 -0.30 0.00 -0.15 0.00 0.00 55.06 52.36 2yx6 s HIS 20 Cb 0.17 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 2yx6 s HIS 20 CO 0.77 -0.85 1.23 0.12 -0.85 0.00 0.00 174.74 175.16 2yx6 s PHE 21 N 1.18 3.15 0.00 1.40 5.36 -0.30 -2.68 117.98 126.09 2yx6 s PHE 21 Ca -0.07 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2yx6 s PHE 21 Cb -0.19 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 2yx6 s PHE 21 CO -0.06 -1.47 0.00 0.41 -1.46 0.00 0.00 175.22 172.64 2yx6 n GLY 22 N 3.40 4.10 0.11 13.12 0.00 -1.26 -4.57 105.19 120.10 2yx6 n GLY 22 Ca 0.11 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.45 2yx6 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yx6 n ARG 23 N 0.00 0.38 -2.35 1.61 1.74 -1.09 -4.97 116.66 111.98 2yx6 n ARG 23 Ca 0.00 -0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.48 2yx6 n ARG 23 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 2yx6 n ARG 23 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2yx6 s SER 24 N -2.77 6.74 -0.02 0.55 0.01 -1.23 -4.94 113.70 112.04 2yx6 s SER 24 Ca 0.17 2.31 0.16 0.00 1.31 0.00 0.00 55.95 59.91 2yx6 s SER 24 Cb 0.18 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.56 2yx6 s SER 24 CO 0.61 -0.52 0.43 -1.14 0.41 0.00 0.00 173.24 173.03 2yx6 n ARG 25 N 0.36 0.75 -4.41 12.44 0.63 -1.26 -4.78 116.66 120.39 2yx6 n ARG 25 Ca 0.03 -0.12 -0.21 0.00 -0.92 0.00 0.00 57.85 56.63 2yx6 n ARG 25 Cb 0.46 -1.36 -0.13 0.00 0.45 0.00 0.00 32.46 31.87 2yx6 n ARG 25 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2yx6 s TYR 26 N -3.01 1.32 -0.03 -0.14 1.51 -1.25 0.17 117.35 115.92 2yx6 s TYR 26 Ca -0.04 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 2yx6 s TYR 26 Cb 0.11 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 41.17 2yx6 s TYR 26 CO 0.68 0.04 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.94 2yx6 s PHE 27 N -0.82 1.54 -0.24 2.71 0.08 0.06 -0.16 117.98 121.15 2yx6 s PHE 27 Ca 0.03 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.55 2yx6 s PHE 27 Cb -0.08 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 2yx6 s PHE 27 CO 0.01 -0.12 0.29 0.08 -0.10 0.00 0.00 175.22 175.39 2yx6 s VAL 28 N -0.06 5.26 -0.14 -0.44 1.01 -0.30 -1.33 120.40 124.40 2yx6 s VAL 28 Ca -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 2yx6 s VAL 28 Cb -0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2yx6 s VAL 28 CO 0.01 0.26 -0.01 -0.36 0.00 0.00 0.00 175.10 175.00 2yx6 s PHE 29 N 1.47 3.10 -0.05 5.22 0.08 -0.49 -0.89 117.98 126.41 2yx6 s PHE 29 Ca 0.13 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.11 2yx6 s PHE 29 Cb -0.15 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 2yx6 s PHE 29 CO 0.08 0.12 -0.14 0.14 -0.10 0.00 0.00 175.22 175.32 2yx6 s VAL 30 N 0.06 1.23 -0.20 -0.44 -7.23 0.20 -2.26 120.40 111.75 2yx6 s VAL 30 Ca 0.02 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.52 2yx6 s VAL 30 Cb -0.13 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 2yx6 s VAL 30 CO 0.02 0.37 0.12 -1.81 -0.31 0.00 0.00 175.10 173.49 2yx6 s ASP 31 N 0.31 6.08 -0.17 4.85 1.11 -0.90 -0.60 116.67 127.35 2yx6 s ASP 31 Ca -0.08 0.19 -0.01 0.00 0.18 0.00 0.00 52.55 52.83 2yx6 s ASP 31 Cb -0.13 -2.06 0.04 0.00 1.07 0.00 0.00 42.92 41.84 2yx6 s ASP 31 CO 0.03 0.17 -0.05 -0.63 1.18 0.00 0.00 175.17 175.87 2yx6 s ILE 32 N 0.43 1.11 -0.15 0.77 1.01 0.11 -0.65 121.20 123.83 2yx6 s ILE 32 Ca 0.07 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2yx6 s ILE 32 Cb -0.12 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.07 2yx6 s ILE 32 CO -0.01 0.11 -0.18 -1.61 0.00 0.00 0.00 174.94 173.25 2yx6 s GLU 33 N 1.63 2.66 7.33 2.79 0.41 -0.83 0.12 118.70 132.80 2yx6 s GLU 33 Ca 0.00 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 2yx6 s GLU 33 Cb -0.15 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 2yx6 s GLU 33 CO -0.08 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.95 2yx6 n GLY 34 N 4.49 2.38 0.01 -1.39 0.00 -1.26 -2.21 105.19 107.21 2yx6 n GLY 34 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2yx6 n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yx6 n GLU 35 N 8.30 2.03 -3.96 1.61 2.13 -1.26 -5.04 120.64 124.46 2yx6 n GLU 35 Ca 0.00 -1.25 -0.34 0.00 0.66 0.00 0.00 57.16 56.23 2yx6 n GLU 35 Cb 0.00 -0.87 -0.06 0.00 0.27 0.00 0.00 31.44 30.78 2yx6 n GLU 35 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2yx6 s ASP 36 N -0.78 6.18 -0.82 4.31 -0.00 -0.94 -5.05 116.67 119.56 2yx6 s ASP 36 Ca 0.01 0.32 -0.17 0.00 -0.00 0.00 0.00 52.55 52.71 2yx6 s ASP 36 Cb 0.01 -1.92 0.16 0.00 -0.00 0.00 0.00 42.92 41.17 2yx6 s ASP 36 CO 0.00 0.30 0.90 0.54 -0.00 0.00 0.00 175.17 176.92 2yx6 s VAL 37 N -1.21 5.08 0.55 -1.27 0.11 -1.26 -1.97 120.40 120.42 2yx6 s VAL 37 Ca 0.23 -1.79 0.23 0.00 -2.93 0.00 0.00 61.98 57.72 2yx6 s VAL 37 Cb -0.12 -4.60 0.32 0.00 -1.53 0.00 0.00 36.38 30.45 2yx6 s VAL 37 CO 0.14 -1.25 2.15 0.50 -3.33 0.00 0.00 175.10 173.31 2yx6 h LYS 38 N 8.52 0.00 -1.88 1.54 3.11 -1.22 -3.46 116.57 123.18 2yx6 h LYS 38 Ca 0.04 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.07 2yx6 h LYS 38 Cb 1.04 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.11 2yx6 h LYS 38 CO 0.97 0.00 0.65 1.21 -2.81 0.00 0.00 179.45 179.48 2yx6 s ASN 39 N -6.53 -0.24 -0.19 4.20 3.84 -1.25 -5.00 114.94 109.77 2yx6 s ASN 39 Ca -0.05 -0.02 -0.18 0.00 0.21 0.00 0.00 52.86 52.82 2yx6 s ASN 39 Cb 0.17 0.27 0.05 0.00 -0.55 0.00 0.00 41.25 41.18 2yx6 s ASN 39 CO 0.63 -0.44 0.53 0.68 -2.79 0.00 0.00 177.10 175.70 2yx6 s VAL 40 N -2.77 0.00 -0.01 -5.21 -7.23 -1.26 -2.12 120.40 101.79 2yx6 s VAL 40 Ca 0.08 -0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 2yx6 s VAL 40 Cb -0.01 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.21 2yx6 s VAL 40 CO -0.06 -0.00 0.26 -1.83 -0.31 0.00 0.00 175.10 173.15 2yx6 s GLU 41 N 0.25 0.60 -0.17 4.82 -1.05 -0.96 -5.00 118.70 117.19 2yx6 s GLU 41 Ca -0.00 -0.23 -0.05 0.00 -0.15 0.00 0.00 54.97 54.53 2yx6 s GLU 41 Cb -0.04 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2yx6 s GLU 41 CO 0.01 -0.16 0.01 0.14 0.95 0.00 0.00 175.26 176.21 2yx6 s VAL 42 N -1.29 4.32 -0.03 1.83 -7.23 -1.26 -1.40 120.40 115.34 2yx6 s VAL 42 Ca -0.13 -0.21 0.06 0.00 -1.81 0.00 0.00 61.98 59.89 2yx6 s VAL 42 Cb -0.06 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 2yx6 s VAL 42 CO 0.03 0.48 -0.22 0.54 -0.31 0.00 0.00 175.10 175.62 2yx6 s VAL 43 N 0.34 1.76 0.08 1.32 0.11 -0.44 -4.99 120.40 118.59 2yx6 s VAL 43 Ca -0.01 -0.94 -0.21 0.00 -2.93 0.00 0.00 61.98 57.89 2yx6 s VAL 43 Cb -0.13 -1.47 -0.07 0.00 -1.53 0.00 0.00 36.38 33.18 2yx6 s VAL 43 CO 0.02 0.50 0.64 -0.70 -3.33 0.00 0.00 175.10 172.22 2yx6 s GLU 44 N -0.39 4.33 -0.08 1.54 2.12 -1.26 -0.76 118.70 124.19 2yx6 s GLU 44 Ca 0.05 0.86 -0.20 0.00 0.36 0.00 0.00 54.97 56.04 2yx6 s GLU 44 Cb -0.10 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2yx6 s GLU 44 CO 0.00 0.56 0.58 0.14 -0.54 0.00 0.00 175.26 176.00 2yx6 s VAL 45 N -0.91 5.10 0.80 3.70 -7.23 0.45 -4.95 120.40 117.37 2yx6 s VAL 45 Ca 0.32 1.18 -0.16 0.00 -1.81 0.00 0.00 61.98 61.50 2yx6 s VAL 45 Cb -0.20 -3.92 -0.08 0.00 0.56 0.00 0.00 36.38 32.74 2yx6 s VAL 45 CO 0.21 0.31 0.01 -2.65 -0.31 0.00 0.00 175.10 172.67 2yx6 n PRO 46 N 3.59 0.06 0.01 4.82 -0.01 -1.26 -4.88 135.00 137.33 2yx6 n PRO 46 Ca -0.05 0.04 -0.11 0.00 -0.01 0.00 0.00 63.50 63.37 2yx6 n PRO 46 Cb 0.51 -1.45 -0.06 0.00 -0.01 0.00 0.00 33.50 32.50 2yx6 n PRO 46 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.50 175.84 2yx6 h PHE 47 N -0.68 0.07 -2.93 6.00 3.57 -1.98 -3.38 116.94 117.61 2yx6 h PHE 47 Ca -0.44 0.00 -0.71 0.00 3.53 0.00 0.00 57.97 60.36 2yx6 h PHE 47 Cb 1.34 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.86 2yx6 h PHE 47 CO 0.29 0.05 0.24 -2.00 -2.23 0.00 0.00 178.31 174.66 2yx6 s GLU 48 N -6.19 3.20 -0.30 1.11 -6.30 -1.26 -4.95 118.70 104.01 2yx6 s GLU 48 Ca -0.13 -1.51 0.02 0.00 -2.50 0.00 0.00 54.97 50.85 2yx6 s GLU 48 Cb 0.07 -4.38 0.09 0.00 0.00 0.00 0.00 34.13 29.90 2yx6 s GLU 48 CO 0.67 -1.56 0.02 -1.21 0.02 0.00 0.00 175.26 173.20 2yx6 s GLU 49 N 2.43 1.43 -0.32 4.30 0.41 -1.26 -5.06 118.70 120.62 2yx6 s GLU 49 Ca 0.16 -1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 53.22 2yx6 s GLU 49 Cb -0.19 -2.78 0.19 0.00 -1.78 0.00 0.00 34.13 29.57 2yx6 s GLU 49 CO 0.02 -0.84 0.88 -1.58 -0.49 0.00 0.00 175.26 173.26 2yx6 s HIS 50 N 1.18 -0.94 0.00 1.61 2.46 -1.26 -4.86 115.29 113.48 2yx6 s HIS 50 Ca 0.05 0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.97 2yx6 s HIS 50 Cb -0.19 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.43 2yx6 s HIS 50 CO -0.11 -0.59 0.00 0.41 -2.47 0.00 0.00 174.74 171.98 2yx6 n GLY 53 N 4.71 0.00 0.07 1.59 0.00 -1.26 -4.93 105.19 105.37 2yx6 n GLY 53 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2yx6 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yx6 n ASP 54 N 0.00 -0.18 -0.10 1.61 10.43 -1.26 -1.30 116.55 125.76 2yx6 n ASP 54 Ca 0.00 0.32 -0.09 0.00 2.57 0.00 0.00 54.79 57.59 2yx6 n ASP 54 Cb 0.00 -0.05 -0.01 0.00 1.84 0.00 0.00 41.12 42.90 2yx6 n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2yx6 h LEU 55 N 0.00 0.38 -0.54 0.64 3.38 -1.92 -1.51 115.31 115.75 2yx6 h LEU 55 Ca 0.03 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2yx6 h LEU 55 Cb 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 2yx6 h LEU 55 CO -0.17 0.28 0.03 -0.65 0.09 0.00 0.00 178.44 178.02 2yx6 h PRO 56 N 0.44 0.15 -0.67 1.13 0.11 -1.56 -1.91 132.00 129.69 2yx6 h PRO 56 Ca 0.12 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 2yx6 h PRO 56 Cb -0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 2yx6 h PRO 56 CO -0.03 0.10 0.24 -0.91 -0.21 0.00 0.00 178.00 177.19 2yx6 h ASN 57 N 0.15 0.92 -0.95 -2.05 4.21 -1.53 -1.02 115.58 115.31 2yx6 h ASN 57 Ca 0.27 -0.15 0.06 0.00 1.21 0.00 0.00 56.30 57.70 2yx6 h ASN 57 Cb 0.42 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 2yx6 h ASN 57 CO -0.43 0.85 0.61 0.15 -1.29 0.00 0.00 177.43 177.32 2yx6 h PHE 58 N 0.97 1.13 -0.16 1.19 3.04 -0.87 0.16 116.94 122.40 2yx6 h PHE 58 Ca 0.22 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 2yx6 h PHE 58 Cb 0.23 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 2yx6 h PHE 58 CO 0.02 0.59 -0.13 0.82 -2.02 0.00 0.00 178.31 177.59 2yx6 h ILE 59 N 1.11 1.33 -0.33 1.41 2.04 -0.86 -2.63 117.51 119.58 2yx6 h ILE 59 Ca 0.41 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 65.06 2yx6 h ILE 59 Cb 0.14 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2yx6 h ILE 59 CO -0.16 0.37 0.08 0.50 0.00 0.00 0.00 178.15 178.94 2yx6 h LYS 60 N 0.02 0.20 -1.07 2.37 3.11 -1.07 -1.80 116.57 118.33 2yx6 h LYS 60 Ca 0.03 -0.01 0.29 0.00 -2.81 0.00 0.00 60.65 58.15 2yx6 h LYS 60 Cb 0.64 -0.04 -0.11 0.00 -1.00 0.00 0.00 32.23 31.72 2yx6 h LYS 60 CO 0.03 0.13 0.67 0.22 -2.81 0.00 0.00 179.45 177.70 2yx6 h ASP 61 N 0.20 0.46 -0.37 4.20 -0.00 -0.57 0.34 116.42 120.68 2yx6 h ASP 61 Ca 0.16 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 2yx6 h ASP 61 Cb 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 2yx6 h ASP 61 CO -0.19 0.04 0.00 1.41 -0.00 0.00 0.00 179.24 180.49 2yx6 n HIS 62 N -4.71 0.48 -0.94 0.28 8.25 -0.73 -4.95 115.22 112.90 2yx6 n HIS 62 Ca 0.28 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2yx6 n HIS 62 Cb 0.94 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.05 2yx6 n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yx6 n GLY 63 N 1.29 0.58 3.75 -1.41 0.00 0.12 -5.02 105.19 104.50 2yx6 n GLY 63 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2yx6 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yx6 s ALA 64 N -2.21 3.34 -0.26 4.61 0.00 -0.99 -4.69 121.76 121.56 2yx6 s ALA 64 Ca 0.00 0.58 0.14 0.00 0.00 0.00 0.00 51.96 52.67 2yx6 s ALA 64 Cb 0.00 -3.19 -0.19 0.00 0.00 0.00 0.00 23.12 19.75 2yx6 s ALA 64 CO 0.00 0.19 0.41 1.63 0.00 0.00 0.00 175.76 177.98 2yx6 n LYS 65 N 1.69 1.30 -4.14 0.00 4.76 -0.07 -4.56 118.16 117.14 2yx6 n LYS 65 Ca -0.02 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.19 2yx6 n LYS 65 Cb 0.48 -1.25 -0.14 0.00 -1.84 0.00 0.00 35.03 32.28 2yx6 n LYS 65 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2yx6 s ILE 66 N -2.67 0.40 -0.09 -0.18 1.09 -1.18 -1.72 121.20 116.85 2yx6 s ILE 66 Ca -0.01 -0.28 0.03 0.00 -1.10 0.00 0.00 60.65 59.28 2yx6 s ILE 66 Cb 0.09 -0.36 0.01 0.00 -1.06 0.00 0.00 42.46 41.15 2yx6 s ILE 66 CO 0.56 0.07 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.60 2yx6 s VAL 67 N -0.22 1.59 -0.28 2.92 1.01 -0.55 -0.31 120.40 124.55 2yx6 s VAL 67 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2yx6 s VAL 67 Cb -0.03 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2yx6 s VAL 67 CO -0.00 0.46 0.09 -0.76 0.00 0.00 0.00 175.10 174.88 2yx6 s LEU 68 N 0.61 3.75 0.30 3.92 1.43 -0.33 -1.30 118.68 127.07 2yx6 s LEU 68 Ca -0.14 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 2yx6 s LEU 68 Cb -0.16 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2yx6 s LEU 68 CO 0.04 -0.14 -0.02 0.42 0.23 0.00 0.00 176.35 176.88 2yx6 s THR 69 N 1.56 1.53 0.00 5.49 -4.23 0.60 -3.96 115.64 116.62 2yx6 s THR 69 Ca 0.04 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2yx6 s THR 69 Cb -0.16 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2yx6 s THR 69 CO 0.03 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 173.92 2yx6 n TYR 70 N -0.64 0.00 -4.22 3.99 9.36 -1.20 -1.66 117.16 122.79 2yx6 n TYR 70 Ca -0.04 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.87 2yx6 n TYR 70 Cb 0.65 -0.14 -0.09 0.00 -0.63 0.00 0.00 39.34 39.13 2yx6 n TYR 70 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2yx6 s GLY 71 N -1.93 1.84 -0.14 2.98 0.00 -0.55 0.21 107.32 109.73 2yx6 s GLY 71 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 2yx6 s GLY 71 CO 0.00 -1.11 0.69 -1.50 0.00 0.00 0.00 173.10 171.18 2yx6 s ILE 72 N -1.22 0.00 0.55 0.90 2.07 -1.26 -1.15 121.20 121.08 2yx6 s ILE 72 Ca 0.23 -0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.30 2yx6 s ILE 72 Cb -0.11 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.42 2yx6 s ILE 72 CO 0.15 -0.00 1.03 -0.83 -1.91 0.00 0.00 174.94 173.38 2yx6 s GLY 73 N -0.51 2.18 0.48 1.50 0.00 -1.26 -4.94 107.32 104.76 2yx6 s GLY 73 Ca -0.06 0.38 0.21 0.00 0.00 0.00 0.00 44.72 45.24 2yx6 s GLY 73 CO 0.06 0.68 2.03 0.07 0.00 0.00 0.00 173.10 175.95 2yx6 h ARG 74 N 0.77 0.00 -0.61 2.90 0.11 -2.01 -2.50 114.38 113.04 2yx6 h ARG 74 Ca -0.47 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.56 2yx6 h ARG 74 Cb 1.21 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.26 2yx6 h ARG 74 CO 0.59 0.16 0.18 0.07 0.10 0.00 0.00 179.97 181.07 2yx6 h ARG 75 N 0.00 0.96 -0.37 0.08 -0.00 -2.00 -1.80 114.38 111.25 2yx6 h ARG 75 Ca -0.00 -0.21 -0.10 0.00 -0.00 0.00 0.00 59.98 59.67 2yx6 h ARG 75 Cb 0.33 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.15 2yx6 h ARG 75 CO 0.02 0.86 -0.14 0.00 -0.00 0.00 0.00 179.97 180.70 2yx6 h ALA 76 N 1.06 0.52 -0.50 0.08 0.00 -1.85 -2.04 119.26 116.53 2yx6 h ALA 76 Ca 0.20 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2yx6 h ALA 76 Cb 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2yx6 h ALA 76 CO -0.00 0.43 0.13 0.82 0.00 0.00 0.00 179.25 180.62 2yx6 h ILE 77 N 0.55 0.76 -0.07 0.00 2.04 -1.31 -1.95 117.51 117.54 2yx6 h ILE 77 Ca 0.09 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2yx6 h ILE 77 Cb 0.68 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2yx6 h ILE 77 CO 0.05 0.05 -0.06 -0.33 0.00 0.00 0.00 178.15 177.86 2yx6 h GLU 78 N 0.28 -0.07 -0.68 2.37 5.08 -1.25 -1.05 114.58 119.25 2yx6 h GLU 78 Ca 0.25 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2yx6 h GLU 78 Cb 0.31 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2yx6 h GLU 78 CO -0.30 -0.05 0.36 1.88 -1.00 0.00 0.00 179.01 179.91 2yx6 h TYR 79 N -0.08 0.66 -0.06 4.33 -1.99 -1.18 0.02 116.97 118.67 2yx6 h TYR 79 Ca 0.05 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 2yx6 h TYR 79 Cb 0.14 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 2yx6 h TYR 79 CO -0.16 0.29 0.03 0.74 -0.00 0.00 0.00 178.16 179.06 2yx6 h PHE 80 N 0.65 0.08 -0.74 4.88 0.05 -1.03 -2.34 116.94 118.50 2yx6 h PHE 80 Ca 0.32 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.08 2yx6 h PHE 80 Cb 0.25 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 2yx6 h PHE 80 CO -0.09 0.11 0.37 -0.91 -0.18 0.00 0.00 178.31 177.61 2yx6 h ASN 81 N 0.02 0.94 0.32 2.17 2.35 -0.89 0.25 115.58 120.73 2yx6 h ASN 81 Ca 0.02 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2yx6 h ASN 81 Cb 0.06 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2yx6 h ASN 81 CO -0.00 0.78 -0.15 0.77 -1.65 0.00 0.00 177.43 177.17 2yx6 h SER 82 N 1.04 0.00 -0.18 5.81 4.64 -0.80 -1.19 113.55 122.87 2yx6 h SER 82 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2yx6 h SER 82 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2yx6 h SER 82 CO -0.04 0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 2yx6 n LEU 83 N -3.85 1.23 -0.30 5.97 4.77 -0.52 -4.91 117.00 119.39 2yx6 n LEU 83 Ca -0.02 -0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 55.36 2yx6 n LEU 83 Cb 0.25 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2yx6 n LEU 83 CO 0.32 0.28 -0.04 0.61 -1.33 0.00 0.00 177.39 177.24 2yx6 n GLY 84 N 0.96 0.68 3.59 -0.72 0.00 -0.45 -5.02 105.19 104.24 2yx6 n GLY 84 Ca 0.12 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2yx6 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yx6 s ILE 85 N -2.14 4.24 0.13 -0.61 1.01 0.75 -4.97 121.20 119.62 2yx6 s ILE 85 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2yx6 s ILE 85 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2yx6 s ILE 85 CO 0.00 0.53 0.32 -0.44 0.00 0.00 0.00 174.94 175.34 2yx6 s SER 86 N -0.08 6.40 -0.03 3.58 0.01 -0.70 -2.85 113.70 120.02 2yx6 s SER 86 Ca 0.04 0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.71 2yx6 s SER 86 Cb -0.13 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.10 2yx6 s SER 86 CO 0.02 0.06 -0.09 -0.69 0.41 0.00 0.00 173.24 172.95 2yx6 s VAL 87 N -1.68 0.83 -0.15 3.43 1.01 -1.26 -1.48 120.40 121.10 2yx6 s VAL 87 Ca 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2yx6 s VAL 87 Cb -0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2yx6 s VAL 87 CO 0.27 0.27 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 2yx6 s VAL 88 N 0.35 3.28 0.35 2.92 1.01 -0.42 -4.97 120.40 122.92 2yx6 s VAL 88 Ca -0.06 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2yx6 s VAL 88 Cb -0.11 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2yx6 s VAL 88 CO 0.01 0.50 0.27 0.42 0.00 0.00 0.00 175.10 176.29 2yx6 s THR 89 N 0.60 3.24 0.00 3.92 -4.23 -1.26 -0.29 115.64 117.63 2yx6 s THR 89 Ca -0.06 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2yx6 s THR 89 Cb -0.15 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2yx6 s THR 89 CO 0.03 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2yx6 n GLY 90 N -1.34 0.33 3.73 3.99 0.00 0.13 -4.83 105.19 107.21 2yx6 n GLY 90 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2yx6 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yx6 s VAL 91 N -1.74 3.88 0.16 1.61 1.01 -0.67 0.47 120.40 125.11 2yx6 s VAL 91 Ca 0.00 1.53 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 2yx6 s VAL 91 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2yx6 s VAL 91 CO 0.00 0.22 0.34 -0.72 0.00 0.00 0.00 175.10 174.94 2yx6 s TYR 92 N 0.14 0.18 0.00 5.22 -0.85 -1.26 -3.25 117.35 117.54 2yx6 s TYR 92 Ca 0.52 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2yx6 s TYR 92 Cb -0.30 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.13 2yx6 s TYR 92 CO 0.34 -0.74 0.00 0.41 -1.52 0.00 0.00 175.55 174.03 2yx6 n GLY 93 N -0.23 -1.23 3.70 5.49 0.00 -1.26 -4.85 105.19 106.81 2yx6 n GLY 93 Ca -0.10 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 2yx6 n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yx6 s ARG 94 N -0.15 4.36 0.35 1.61 3.52 -1.26 -0.76 118.95 126.62 2yx6 s ARG 94 Ca 0.00 1.85 0.09 0.00 -0.13 0.00 0.00 55.73 57.54 2yx6 s ARG 94 Cb 0.00 -3.43 0.80 0.00 -1.56 0.00 0.00 34.95 30.77 2yx6 s ARG 94 CO 0.00 -0.40 1.85 0.82 -0.81 0.00 0.00 175.30 176.76 2yx6 h ILE 95 N 4.66 0.80 -0.62 4.11 2.04 -0.81 -0.11 117.51 127.59 2yx6 h ILE 95 Ca -0.39 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.28 2yx6 h ILE 95 Cb 1.19 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2yx6 h ILE 95 CO 0.86 0.13 0.34 0.77 0.00 0.00 0.00 178.15 180.25 2yx6 h SER 96 N 0.71 0.51 0.04 1.72 4.64 -1.33 -0.62 113.55 119.22 2yx6 h SER 96 Ca 0.48 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2yx6 h SER 96 Cb 0.78 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2yx6 h SER 96 CO -0.24 0.33 -0.02 0.44 -0.87 0.00 0.00 176.83 176.48 2yx6 h ASP 97 N 0.64 -0.05 -1.00 4.97 3.45 -1.33 -2.52 116.42 120.58 2yx6 h ASP 97 Ca 0.28 -0.20 0.16 0.00 0.43 0.00 0.00 57.03 57.70 2yx6 h ASP 97 Cb 0.16 0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 38.85 2yx6 h ASP 97 CO -0.17 0.17 0.62 0.58 -1.57 0.00 0.00 179.24 178.87 2yx6 h VAL 98 N -0.27 0.80 -0.46 -1.35 2.07 -0.92 0.25 116.25 116.36 2yx6 h VAL 98 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2yx6 h VAL 98 Cb 0.24 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2yx6 h VAL 98 CO 0.01 0.16 0.24 0.40 0.02 0.00 0.00 177.57 178.40 2yx6 h ILE 99 N 0.85 1.17 -0.62 4.57 2.04 -0.95 0.71 117.51 125.29 2yx6 h ILE 99 Ca 0.54 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2yx6 h ILE 99 Cb 0.73 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2yx6 h ILE 99 CO -0.33 0.19 0.32 0.11 0.00 0.00 0.00 178.15 178.44 2yx6 h LYS 100 N 0.61 0.88 -0.35 2.37 6.56 -0.18 -1.68 116.57 124.78 2yx6 h LYS 100 Ca 0.16 -0.12 -0.09 0.00 -1.06 0.00 0.00 60.65 59.55 2yx6 h LYS 100 Cb 0.08 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 2yx6 h LYS 100 CO -0.02 0.69 -0.16 0.00 -2.06 0.00 0.00 179.45 177.89 2yx6 h ALA 101 N 1.15 1.07 0.14 3.86 0.00 -0.73 -1.66 119.26 123.09 2yx6 h ALA 101 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2yx6 h ALA 101 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2yx6 h ALA 101 CO -0.03 0.57 -0.07 0.35 0.00 0.00 0.00 179.25 180.07 2yx6 h PHE 102 N 0.57 -0.18 -0.11 0.00 3.57 -0.61 0.32 116.94 120.51 2yx6 h PHE 102 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2yx6 h PHE 102 Cb 0.60 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2yx6 h PHE 102 CO 0.03 0.22 0.03 0.82 -2.23 0.00 0.00 178.31 177.18 2yx6 h ILE 103 N -0.64 1.05 -0.01 1.41 2.04 -1.25 -2.10 117.51 118.01 2yx6 h ILE 103 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2yx6 h ILE 103 Cb 0.48 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2yx6 h ILE 103 CO 0.03 0.06 -0.09 0.61 0.00 0.00 0.00 178.15 178.77 2yx6 n GLY 104 N -1.41 -0.32 2.49 5.37 0.00 -0.63 -4.94 105.19 105.74 2yx6 n GLY 104 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 2yx6 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yx6 n GLY 105 N 1.23 0.05 2.56 -0.02 0.00 -0.79 -5.00 105.19 103.22 2yx6 n GLY 105 Ca 0.17 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2yx6 n GLY 105 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yx6 n LYS 106 N -2.86 0.93 -2.36 1.61 2.85 0.11 -5.03 118.16 113.41 2yx6 n LYS 106 Ca -0.09 -2.33 -0.42 0.00 -1.05 0.00 0.00 58.31 54.42 2yx6 n LYS 106 Cb 0.57 -1.29 -0.03 0.00 -0.65 0.00 0.00 35.03 33.63 2yx6 n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2yx6 s LEU 107 N -1.87 4.36 -0.27 -5.58 1.43 -1.23 -4.71 118.68 110.82 2yx6 s LEU 107 Ca 0.29 2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 2yx6 s LEU 107 Cb 0.28 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2yx6 s LEU 107 CO -0.10 -0.53 1.26 -1.59 0.23 0.00 0.00 176.35 175.62 2yx6 s LYS 108 N 1.19 4.02 -0.15 1.70 0.00 -1.26 -5.01 119.74 120.23 2yx6 s LYS 108 Ca 0.60 1.33 -0.00 0.00 0.00 0.00 0.00 55.97 57.90 2yx6 s LYS 108 Cb -0.31 -3.83 -0.01 0.00 0.00 0.00 0.00 37.83 33.68 2yx6 s LYS 108 CO 0.29 -0.98 -0.14 0.42 0.00 0.00 0.00 175.35 174.94 2yx6 s ILE 109 N 4.06 2.88 -0.98 3.79 1.01 -1.26 -4.29 121.20 126.40 2yx6 s ILE 109 Ca 0.54 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 2yx6 s ILE 109 Cb -0.17 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2yx6 s ILE 109 CO 0.20 0.51 1.46 -0.62 0.00 0.00 0.00 174.94 176.49 2yx6 s ASP 110 N 0.67 6.37 0.56 3.58 -1.08 0.17 -4.87 116.67 122.07 2yx6 s ASP 110 Ca -0.07 -1.27 0.29 0.00 -0.52 0.00 0.00 52.55 50.98 2yx6 s ASP 110 Cb -0.16 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 40.20 2yx6 s ASP 110 CO 0.02 -1.63 1.93 1.88 0.52 0.00 0.00 175.17 177.89 2yx6 h TYR 111 N 9.96 0.00 -0.66 -5.34 0.05 -1.95 -2.31 116.97 116.72 2yx6 h TYR 111 Ca 0.13 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.61 2yx6 h TYR 111 Cb 1.02 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.58 2yx6 h TYR 111 CO 1.26 0.00 0.27 -0.25 -1.05 0.00 0.00 178.16 178.39 2yx6 n ASP 112 N -4.04 3.49 -0.11 3.88 8.00 -1.26 -4.59 116.55 121.92 2yx6 n ASP 112 Ca 0.11 -3.56 -0.01 0.00 0.71 0.00 0.00 54.79 52.05 2yx6 n ASP 112 Cb 0.73 -0.73 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 2yx6 n ASP 112 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2yx6 h TRP 113 N 1.37 0.78 -0.72 1.24 5.08 -1.80 -3.29 115.95 118.60 2yx6 h TRP 113 Ca 0.37 -0.05 0.11 0.00 1.08 0.00 0.00 58.89 60.40 2yx6 h TRP 113 Cb 2.23 -0.24 -0.12 0.00 -3.00 0.00 0.00 29.16 28.03 2yx6 h TRP 113 CO 1.25 0.62 -0.42 0.87 -1.28 0.00 0.00 178.44 179.49 2yx6 h LYS 114 N 0.76 -0.13 -4.35 0.12 1.79 -1.85 -2.37 116.57 110.54 2yx6 h LYS 114 Ca 0.18 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 58.00 2yx6 h LYS 114 Cb 0.19 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 30.47 2yx6 h LYS 114 CO -0.01 -0.09 -0.68 -2.00 -1.08 0.00 0.00 179.45 175.59 2yx6 s GLU 115 N -5.86 1.65 0.00 3.15 2.56 -1.24 -5.13 118.70 113.83 2yx6 s GLU 115 Ca -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 54.97 52.76 2yx6 s GLU 115 Cb 0.15 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 33.01 2yx6 s GLU 115 CO 0.68 -0.99 0.00 1.63 -0.56 0.00 0.00 175.26 176.01